data_ReSeCl_100K
_audit_creation_date              2017-11-14
_audit_creation_method
;
Olex2 1.2
(compiled 2017.08.10 svn.r3461 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number      '2017/1'
_publ_contact_author_address      ?
_publ_contact_author_email        ?
_publ_contact_author_id_orcid     ?
_publ_contact_author_name         ''
_publ_contact_author_phone        ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.
;
_chemical_name_common             ?
_chemical_name_systematic         ?
_chemical_formula_moiety          'Cl2 Re6 Se8'
_chemical_formula_sum             'Cl2 Re6 Se8'
_chemical_formula_weight          1819.78
_chemical_melting_point           ?
_chemical_oxdiff_formula          'Re6 Se8 Cl2'
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'Cl' 'Cl' 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Se' 'Se' -0.0929 2.2259
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Re' 'Re' -1.0185 7.2310
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system       'triclinic'
_space_group_IT_number            2
_space_group_name_H-M_alt         'P -1'
_space_group_name_Hall            '-P 1'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, -y, -z'

_cell_length_a                    6.5785(7)
_cell_length_b                    6.6199(7)
_cell_length_c                    8.8013(9)
_cell_angle_alpha                 76.706(9)
_cell_angle_beta                  70.201(9)
_cell_angle_gamma                 86.371(9)
_cell_volume                      350.92(7)
_cell_formula_units_Z             1
_cell_measurement_reflns_used     2972
_cell_measurement_temperature     100.1(3)
_cell_measurement_theta_max       29.1120
_cell_measurement_theta_min       4.2770
_shelx_estimated_absorpt_T_max    ?
_shelx_estimated_absorpt_T_min    ?
_exptl_absorpt_coefficient_mu     72.619
_exptl_absorpt_correction_T_max   0.565
_exptl_absorpt_correction_T_min   0.108
_exptl_absorpt_correction_type    analytical
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Spherical absorption correction
 using equivalent radius and absorption coefficient.
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details    ?
_exptl_crystal_colour             black
_exptl_crystal_colour_primary     black
_exptl_crystal_density_diffrn     8.611
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_description        plank
_exptl_crystal_F_000              756
loop_
  _exptl_crystal_face_index_h
  _exptl_crystal_face_index_k
  _exptl_crystal_face_index_l
  _exptl_crystal_face_perp_dist
 0 -1 0 0.0131
 1 0 0 0.0177
 0 1 0 0.0131
 0 0 1 0.0042
 0 0 -1 0.0042
 -1 0 0 0.0177

_exptl_crystal_size_max           0.042
_exptl_crystal_size_mid           0.029
_exptl_crystal_size_min           0.008
loop_
  _exptl_oxdiff_crystal_face_indexfrac_h
  _exptl_oxdiff_crystal_face_indexfrac_k
  _exptl_oxdiff_crystal_face_indexfrac_l
  _exptl_oxdiff_crystal_face_x
  _exptl_oxdiff_crystal_face_y
  _exptl_oxdiff_crystal_face_z
 0.0000 -1.0000 0.0000 -0.0499 -0.0320 0.0928
 1.0000 -0.0000 0.0000 0.0716 0.0669 0.0594
 -0.0000 1.0000 -0.0000 0.0499 0.0320 -0.0928
 0.0000 0.0000 1.0000 -0.0785 0.0389 -0.0057
 -0.0000 -0.0000 -1.0000 0.0785 -0.0389 0.0057
 -1.0000 0.0000 -0.0000 -0.0716 -0.0669 -0.0594

_exptl_transmission_factor_max    ?
_exptl_transmission_factor_min    ?
_diffrn_reflns_av_R_equivalents   0.0376
_diffrn_reflns_av_unetI/netI      0.0311
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max        8
_diffrn_reflns_limit_h_min        -8
_diffrn_reflns_limit_k_max        8
_diffrn_reflns_limit_k_min        -8
_diffrn_reflns_limit_l_max        10
_diffrn_reflns_limit_l_min        -10
_diffrn_reflns_number             6492
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full         25.242
_diffrn_reflns_theta_max          26.371
_diffrn_reflns_theta_min          3.414
_diffrn_ambient_environment       N~2~
_diffrn_ambient_temperature       100.1(3)
_diffrn_detector                  'CCD plate'
_diffrn_detector_area_resol_mean  8.0549
_diffrn_detector_type             EosS2
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    -80.00  11.00   1.00    5.00    --  -14.01 -77.00-180.00   91
  2  ω    -20.00  54.00   1.00    5.00    --   16.66 -99.00 -30.00   74
  3  ω      3.00  70.00   1.00    5.00    --   16.66-126.00 115.00   67
  4  ω      2.00  82.00   1.00    5.00    --   16.66  57.00-180.00   80
  5  ω    -53.00  86.00   1.00    5.00    --   16.66   0.00 -30.00  139
  6  ω    -29.00  36.00   1.00    5.00    --  -14.01  57.00 -60.00   65
  7  ω      2.00  82.00   1.00    5.00    --   16.66  57.00 120.00   80
  8  ω      2.00  82.00   1.00    5.00    --   16.66  57.00 -30.00   80
  9  ω    -20.00  54.00   1.00    5.00    --   16.66 -99.00-120.00   74
 10  ω    -20.00  54.00   1.00    5.00    --   16.66 -99.00-180.00   74
 11  ω     34.00  87.00   1.00    5.00    --   16.66-178.00 -90.00   53
 12  ω     -1.00  15.00   1.00    5.00    --   16.66  37.00  60.00   16
;
_diffrn_measurement_device        'four-circle diffractometer'
_diffrn_measurement_device_type   'SuperNova, Dual, Cu at zero, EosS2'
_diffrn_measurement_method        'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11       0.0716052000
_diffrn_orient_matrix_UB_12       0.0499494000
_diffrn_orient_matrix_UB_13       -0.0785455000
_diffrn_orient_matrix_UB_21       0.0669047000
_diffrn_orient_matrix_UB_22       0.0319616000
_diffrn_orient_matrix_UB_23       0.0389230000
_diffrn_orient_matrix_UB_31       0.0594285000
_diffrn_orient_matrix_UB_32       -0.0927799000
_diffrn_orient_matrix_UB_33       -0.0057263000
_diffrn_radiation_monochromator   mirror
_diffrn_radiation_probe           x-ray
_diffrn_radiation_type            MoK\a
_diffrn_radiation_wavelength      0.71073
_diffrn_source                    'micro-focus sealed X-ray tube'
_diffrn_source_type               'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage          0.000
_reflns_Friedel_fraction_full     .
_reflns_Friedel_fraction_max      .
_reflns_number_gt                 1297
_reflns_number_total              1428
_reflns_odcompleteness_completeness 99.72
_reflns_odcompleteness_iscentric  1
_reflns_odcompleteness_theta      26.32
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression      'I > 2σ(I)'
_computing_cell_refinement        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction         'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_molecular_graphics     'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material   'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement   'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution     ?
_refine_diff_density_max          1.207
_refine_diff_density_min          -1.537
_refine_diff_density_rms          0.335
_refine_ls_extinction_coef        0.00061(5)
_refine_ls_extinction_expression  'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_extinction_method      'SHELXL-2017/1 (Sheldrick 2017)'
_refine_ls_goodness_of_fit_ref    1.105
_refine_ls_hydrogen_treatment     undef
_refine_ls_matrix_type            full
_refine_ls_number_parameters      74
_refine_ls_number_reflns          1428
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0256
_refine_ls_R_factor_gt            0.0221
_refine_ls_restrained_S_all       1.105
_refine_ls_shift/su_max           0.001
_refine_ls_shift/su_mean          0.000
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+0.0750P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme       calc
_refine_ls_wR_factor_gt           0.0373
_refine_ls_wR_factor_ref          0.0388
_refine_special_details           ?
_olex2_refinement_description
;
;
_atom_sites_solution_hydrogens    .
_atom_sites_solution_primary      ?
_atom_sites_solution_secondary    ?
loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_U_iso_or_equiv
  _atom_site_adp_type
  _atom_site_occupancy
  _atom_site_site_symmetry_order
  _atom_site_calc_flag
  _atom_site_refinement_flags_posn
  _atom_site_refinement_flags_adp
  _atom_site_refinement_flags_occupancy
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 Re1 Re 0.27110(5) 0.46250(4) 0.43095(4) 0.00335(10) Uani 1 1 d . . . . .
 Re2 Re 0.39377(5) 0.75678(4) 0.53681(4) 0.00346(10) Uani 1 1 d . . . . .
 Re3 Re 0.65865(5) 0.62896(4) 0.28142(4) 0.00327(10) Uani 1 1 d . . . . .
 Se4 Se 0.32848(13) 0.82957(11) 0.26385(11) 0.00492(18) Uani 1 1 d . . . . .
 Se5 Se 0.02485(13) 0.59388(11) 0.69131(11) 0.00424(18) Uani 1 1 d . . . . .
 Se6 Se 0.21076(13) 0.10087(11) 0.60971(11) 0.00442(18) Uani 1 1 d . . . . .
 Se7 Se 0.53808(14) 0.33766(11) 0.19045(11) 0.00506(18) Uani 1 1 d . . . . .
 Cl8 Cl 0.8581(3) 0.7916(3) 0.0073(3) 0.0086(5) Uani 1 1 d . . . . .

loop_
  _atom_site_aniso_label
  _atom_site_aniso_U_11
  _atom_site_aniso_U_22
  _atom_site_aniso_U_33
  _atom_site_aniso_U_23
  _atom_site_aniso_U_13
  _atom_site_aniso_U_12
 Re1 0.00327(19) 0.00337(16) 0.00356(19) -0.00095(13) -0.00124(15) 0.00017(13)
 Re2 0.00354(19) 0.00303(16) 0.00407(19) -0.00110(13) -0.00141(15) 0.00009(13)
 Re3 0.00325(19) 0.00323(16) 0.00342(19) -0.00086(12) -0.00111(15)
 -0.00012(13)
 Se4 0.0050(5) 0.0043(4) 0.0056(5) 0.0000(3) -0.0026(4) 0.0006(3)
 Se5 0.0036(4) 0.0049(4) 0.0047(5) -0.0017(3) -0.0014(4) -0.0003(3)
 Se6 0.0048(5) 0.0034(4) 0.0051(5) -0.0010(3) -0.0018(4) -0.0003(3)
 Se7 0.0056(5) 0.0051(4) 0.0052(5) -0.0022(3) -0.0021(4) -0.0001(3)
 Cl8 0.0116(12) 0.0067(9) 0.0071(12) -0.0011(8) -0.0029(10) 0.0000(8)

_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
  _geom_bond_atom_site_label_1
  _geom_bond_atom_site_label_2
  _geom_bond_distance
  _geom_bond_site_symmetry_2
  _geom_bond_publ_flag
 Re1 Re2 2.6225(5) 2_666 ?
 Re1 Re2 2.6187(5) . ?
 Re1 Re3 2.6535(5) 2_666 ?
 Re1 Re3 2.6195(6) . ?
 Re1 Se4 2.5113(9) . ?
 Re1 Se5 2.6045(8) 2_566 ?
 Re1 Se5 2.6182(10) . ?
 Re1 Se6 2.5158(8) . ?
 Re1 Se7 2.5200(10) . ?
 Re2 Re3 2.6567(5) 2_666 ?
 Re2 Re3 2.6152(6) . ?
 Re2 Se4 2.5157(9) . ?
 Re2 Se5 2.5146(9) . ?
 Re2 Se6 2.6175(9) 1_565 ?
 Re2 Se6 2.6073(9) 2_666 ?
 Re2 Se7 2.5214(9) 2_666 ?
 Re3 Se4 2.5046(9) . ?
 Re3 Se5 2.5211(9) 2_666 ?
 Re3 Se6 2.5289(8) 2_666 ?
 Re3 Se7 2.5145(8) . ?
 Re3 Cl8 2.354(2) . ?

loop_
  _geom_angle_atom_site_label_1
  _geom_angle_atom_site_label_2
  _geom_angle_atom_site_label_3
  _geom_angle
  _geom_angle_site_symmetry_1
  _geom_angle_site_symmetry_3
  _geom_angle_publ_flag
 Re2 Re1 Re2 89.978(15) . 2_666 ?
 Re2 Re1 Re3 60.513(14) . 2_666 ?
 Re2 Re1 Re3 59.426(15) 2_666 2_666 ?
 Re2 Re1 Re3 59.902(15) . . ?
 Re2 Re1 Se5 57.39(2) . . ?
 Re3 Re1 Re2 60.904(15) . 2_666 ?
 Re3 Re1 Re3 90.669(17) . 2_666 ?
 Se4 Re1 Re2 58.69(2) . . ?
 Se4 Re1 Re2 119.28(2) . 2_666 ?
 Se4 Re1 Re3 119.20(2) . 2_666 ?
 Se4 Re1 Re3 58.39(2) . . ?
 Se4 Re1 Se5 90.09(3) . . ?
 Se4 Re1 Se5 90.09(3) . 2_566 ?
 Se4 Re1 Se6 177.46(3) . . ?
 Se4 Re1 Se7 90.28(3) . . ?
 Se5 Re1 Re2 132.16(2) 2_566 2_666 ?
 Se5 Re1 Re2 137.52(2) 2_566 . ?
 Se5 Re1 Re2 116.52(2) . 2_666 ?
 Se5 Re1 Re3 57.14(2) . 2_666 ?
 Se5 Re1 Re3 139.30(3) 2_566 2_666 ?
 Se5 Re1 Re3 117.26(2) . . ?
 Se5 Re1 Re3 129.90(3) 2_566 . ?
 Se5 Re1 Se5 98.75(3) 2_566 . ?
 Se6 Re1 Re2 118.99(2) . . ?
 Se6 Re1 Re2 60.94(2) . 2_666 ?
 Se6 Re1 Re3 121.83(2) . . ?
 Se6 Re1 Re3 58.51(2) . 2_666 ?
 Se6 Re1 Se5 91.38(3) . 2_566 ?
 Se6 Re1 Se5 87.64(3) . . ?
 Se6 Re1 Se7 91.87(3) . . ?
 Se7 Re1 Re2 58.68(2) . 2_666 ?
 Se7 Re1 Re2 118.41(2) . . ?
 Se7 Re1 Re3 58.54(2) . . ?
 Se7 Re1 Re3 118.10(2) . 2_666 ?
 Se7 Re1 Se5 174.46(3) . . ?
 Se7 Re1 Se5 86.78(3) . 2_566 ?
 Re1 Re2 Re1 90.021(15) . 2_666 ?
 Re1 Re2 Re3 60.391(13) . 2_666 ?
 Re1 Re2 Re3 59.492(14) 2_666 2_666 ?
 Re3 Re2 Re1 60.876(15) . 2_666 ?
 Re3 Re2 Re1 60.064(15) . . ?
 Re3 Re2 Re3 90.692(18) . 2_666 ?
 Re3 Re2 Se6 138.90(2) . 1_565 ?
 Se4 Re2 Re1 119.25(3) . 2_666 ?
 Se4 Re2 Re1 58.52(2) . . ?
 Se4 Re2 Re3 58.40(2) . . ?
 Se4 Re2 Re3 118.91(2) . 2_666 ?
 Se4 Re2 Se6 92.84(3) . 1_565 ?
 Se4 Re2 Se6 90.91(3) . 2_666 ?
 Se4 Re2 Se7 176.73(3) . 2_666 ?
 Se5 Re2 Re1 61.29(2) . . ?
 Se5 Re2 Re1 117.73(2) . 2_666 ?
 Se5 Re2 Re3 121.32(2) . . ?
 Se5 Re2 Re3 58.28(2) . 2_666 ?
 Se5 Re2 Se4 92.40(3) . . ?
 Se5 Re2 Se6 85.28(3) . 1_565 ?
 Se5 Re2 Se6 175.19(3) . 2_666 ?
 Se5 Re2 Se7 86.76(3) . 2_666 ?
 Se6 Re2 Re1 117.91(2) 2_666 . ?
 Se6 Re2 Re1 57.51(2) 2_666 2_666 ?
 Se6 Re2 Re1 132.18(2) 1_565 . ?
 Se6 Re2 Re1 137.40(2) 1_565 2_666 ?
 Se6 Re2 Re3 57.92(2) 2_666 . ?
 Se6 Re2 Re3 130.29(3) 1_565 2_666 ?
 Se6 Re2 Re3 116.99(2) 2_666 2_666 ?
 Se6 Re2 Se6 98.04(3) 2_666 1_565 ?
 Se7 Re2 Re1 118.42(2) 2_666 . ?
 Se7 Re2 Re1 58.63(2) 2_666 2_666 ?
 Se7 Re2 Re3 58.03(2) 2_666 2_666 ?
 Se7 Re2 Re3 119.50(2) 2_666 . ?
 Se7 Re2 Se6 89.74(3) 2_666 2_666 ?
 Se7 Re2 Se6 90.24(3) 2_666 1_565 ?
 Re1 Re3 Re1 89.330(17) . 2_666 ?
 Re1 Re3 Re2 59.094(14) 2_666 2_666 ?
 Re1 Re3 Re2 59.604(15) . 2_666 ?
 Re2 Re3 Re1 59.697(15) . 2_666 ?
 Re2 Re3 Re1 60.034(15) . . ?
 Re2 Re3 Re2 89.308(18) . 2_666 ?
 Se4 Re3 Re1 58.64(2) . . ?
 Se4 Re3 Re1 118.48(3) . 2_666 ?
 Se4 Re3 Re2 58.81(2) . . ?
 Se4 Re3 Re2 118.23(2) . 2_666 ?
 Se4 Re3 Se5 176.22(3) . 2_666 ?
 Se4 Re3 Se6 93.02(3) . 2_666 ?
 Se4 Re3 Se7 90.56(3) . . ?
 Se5 Re3 Re1 60.73(2) 2_666 2_666 ?
 Se5 Re3 Re1 117.61(2) 2_666 . ?
 Se5 Re3 Re2 120.38(3) 2_666 . ?
 Se5 Re3 Re2 58.04(2) 2_666 2_666 ?
 Se5 Re3 Se6 89.50(3) 2_666 2_666 ?
 Se6 Re3 Re1 58.03(2) 2_666 2_666 ?
 Se6 Re3 Re1 120.83(3) 2_666 . ?
 Se6 Re3 Re2 117.09(2) 2_666 2_666 ?
 Se6 Re3 Re2 60.88(2) 2_666 . ?
 Se7 Re3 Re1 117.38(2) . 2_666 ?
 Se7 Re3 Re1 58.75(2) . . ?
 Se7 Re3 Re2 58.29(2) . 2_666 ?
 Se7 Re3 Re2 118.75(3) . . ?
 Se7 Re3 Se5 86.77(3) . 2_666 ?
 Se7 Re3 Se6 175.22(3) . 2_666 ?
 Cl8 Re3 Re1 135.09(5) . . ?
 Cl8 Re3 Re1 135.58(5) . 2_666 ?
 Cl8 Re3 Re2 134.79(5) . . ?
 Cl8 Re3 Re2 135.90(5) . 2_666 ?
 Cl8 Re3 Se4 91.50(5) . . ?
 Cl8 Re3 Se5 91.28(5) . 2_666 ?
 Cl8 Re3 Se6 90.80(5) . 2_666 ?
 Cl8 Re3 Se7 92.28(5) . . ?
 Re1 Se4 Re2 62.79(2) . . ?
 Re3 Se4 Re1 62.96(2) . . ?
 Re3 Se4 Re2 62.79(2) . . ?
 Re1 Se5 Re1 81.25(3) 2_566 . ?
 Re2 Se5 Re1 127.56(4) . 2_566 ?
 Re2 Se5 Re1 61.31(2) . . ?
 Re2 Se5 Re3 63.68(2) . 2_666 ?
 Re3 Se5 Re1 62.14(2) 2_666 . ?
 Re3 Se5 Re1 129.78(3) 2_666 2_566 ?
 Re1 Se6 Re2 128.48(4) . 1_545 ?
 Re1 Se6 Re2 61.55(2) . 2_666 ?
 Re1 Se6 Re3 63.47(2) . 2_666 ?
 Re2 Se6 Re2 81.96(3) 2_666 1_545 ?
 Re3 Se6 Re2 61.19(2) 2_666 2_666 ?
 Re3 Se6 Re2 129.42(3) 2_666 1_545 ?
 Re1 Se7 Re2 62.69(2) . 2_666 ?
 Re3 Se7 Re1 62.71(2) . . ?
 Re3 Se7 Re2 63.68(2) . 2_666 ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.314
_oxdiff_exptl_absorpt_empirical_full_min 0.796
_oxdiff_exptl_absorpt_spherical_max 0.290
_oxdiff_exptl_absorpt_spherical_min 0.271





