Record-Large Indium-Oxo Clusters: Synthesis, Hierarchical Assembly, and Efficient Optical Limiting
Wang, Xiuzhen; Chen, Yian; Yi, Xiaofeng; Chen, Shumei; Zhang, Jian; Chemical Science  (2026) –; doi:10.1039/D6SC00913A

data_1576886
_publ_section_title
;
 Record-large indium-oxo clusters: synthesis, hierarchical assembly, and
 efficient optical limiting.
;
_journal_issue                   18
_journal_name_full               'Chemical science'
_journal_page_first              9256
_journal_page_last               9263
_journal_paper_doi               10.1039/d6sc00913a
_journal_volume                  17
_journal_year                    2026
_chemical_formula_moiety
'C67.7 H107.4 In15 N11 O45, C6 H5 N O3, 0.3(H2 O), 13[CH4O], 6[C6H15NO3]'
_chemical_formula_sum            'C122.7 H255 In15 N18 O79.3'
_chemical_formula_weight         4973.93
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2026-03-12
_audit_creation_method
;
Olex2 1.5
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7314)
;
_audit_update_record
;
2026-03-12 deposited with the CCDC.	2026-03-16 downloaded from the CCDC.
;
_cell_angle_alpha                111.330(2)
_cell_angle_beta                 97.119(2)
_cell_angle_gamma                104.915(2)
_cell_formula_units_Z            2
_cell_length_a                   19.5767(4)
_cell_length_b                   20.3062(4)
_cell_length_c                   22.4453(5)
_cell_measurement_reflns_used    35163
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      76.4400
_cell_measurement_theta_min      2.1777
_cell_volume                     7793.3(3)
_computing_cell_refinement       'CrysAlisPro 1.171.44.128a (Rigaku OD, 2025)'
_computing_data_collection
'CrysAlisPro system (CCD 44.128a 64-bit (release 04-11-2025))'
_computing_data_reduction        'CrysAlisPro 1.171.44.128a (Rigaku OD, 2025)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_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  t~exp~   \w     \q     \k     \f   Frames
  1  \w     22.00 100.00   0.50    0.25    --   45.86-134.00  18.00  156
  2  \w     69.00 118.00   0.50    0.25    --   45.86 136.00 -95.00   98
  3  \w     70.00 118.00   0.50    0.25    --   45.86 134.00  85.00   96
  4  \w     23.00 101.00   0.50    0.25    --   45.86-136.00-159.00  156
  5  \w   -101.00 -29.00   0.50    0.25    --  -46.49 136.00 -95.00  144
  6  \w   -100.00 -28.00   0.50    0.25    --  -46.49 134.00  85.00  144
  7  \w     34.00 119.00   0.50    1.01    --  106.95-134.00  18.00  170
  8  \w     70.00 175.00   0.50    1.01    --  106.95 134.00  85.00  210
  9  \w     69.00 175.00   0.50    1.01    --  106.95 136.00 -95.00  212
 10  \w     34.00 120.00   0.50    1.01    --  106.95-136.00-159.00  172
 11  \w   -119.00 -35.00   0.50    1.01    -- -107.58 136.00 -95.00  168
 12  \w   -118.00 -35.00   0.50    1.01    -- -107.58 134.00  85.00  166
 13  \w   -174.00 -75.00   0.50    1.01    -- -107.58-136.00-159.00  198
 14  \w   -174.00 -76.00   0.50    1.01    -- -107.58-134.00  18.00  196
 15  \w    -29.00  23.00   0.50    0.25    --   45.86 -19.00  90.00  104
 16  \w    -29.00  23.00   0.50    0.25    --   45.86 -19.00  60.00  104
 17  \w     30.00 118.00   0.50    0.25    --   45.86  57.00  60.00  176
 18  \w    -46.00  27.00   0.50    0.25    --  -46.49  38.00-180.00  146
 19  \w    -29.00  29.00   0.50    0.25    --  -46.49  19.00  60.00  116
 20  \w    -29.00  29.00   0.50    0.25    --  -46.49  19.00 -90.00  116
 21  \w    -29.00  29.00   0.50    0.25    --  -46.49  19.00 -60.00  116
 22  \w     34.00  68.00   0.50    1.01    --  106.95 -61.00-120.00   68
 23  \w     34.00 105.00   0.50    1.01    --  106.95 -95.00  30.00  142
 24  \w     34.00 112.00   0.50    1.01    --  106.95-125.00-150.00  156
 25  \w     76.00 175.00   0.50    1.01    --  106.95 125.00 -30.00  198
 26  \w     34.00  68.00   0.50    1.01    --  106.95 -61.00 150.00   68
 27  \w     34.00  68.00   0.50    1.01    --  106.95 -61.00  30.00   68
 28  \w     34.00  67.00   0.50    1.01    --  106.95 -61.00-150.00   66
 29  \w     34.00 109.00   0.50    1.01    --  106.95-125.00  30.00  150
 30  \w     36.00 105.00   0.50    1.01    --  106.95 -95.00-150.00  138
 31  \w   -159.00 -89.00   0.50    1.01    -- -107.58 -63.00 -41.89  140
 32  \w    -78.00 -36.00   0.50    1.01    -- -107.58 140.00  21.14   84
 33  \w   -138.00 -93.00   0.50    1.01    -- -107.58 -45.00  30.00   90
 34  \w   -174.00-144.00   0.50    1.01    -- -107.58 -45.00  30.00   60
 35  \w   -147.00-120.00   0.50    1.01    -- -107.58 -62.00  36.32   54
 36  \w    -73.00 -35.00   0.50    1.01    -- -107.58  61.00 150.00   76
 37  \w   -121.00 -82.00   0.50    1.01    -- -107.58-125.00 150.00   78
 38  \w   -161.00-135.00   0.50    1.01    -- -107.58-125.00 150.00   52
 39  \w   -104.00 -37.00   0.50    1.01    -- -107.58  77.00 -60.00  134
 40  \w   -123.00 -90.00   0.50    1.01    -- -107.58 140.00  21.14   66
 41  \w    -73.00 -35.00   0.50    1.01    -- -107.58  61.00 120.00   76
 42  \w   -111.00 -53.00   0.50    1.01    -- -107.58 125.00  30.00  116
 43  \w   -170.00-120.00   0.50    1.01    -- -107.58 -67.00 -79.23  100
 44  \w   -123.00 -85.00   0.50    1.01    -- -107.58 140.00 164.99   76
 45  \w    -71.00 -35.00   0.50    1.01    -- -107.58  61.00   0.00   72
 46  \w   -165.00 -82.00   0.50    1.01    -- -107.58-125.00-120.00  166
 47  \w   -122.00 -93.00   0.50    1.01    -- -107.58 -30.00  90.00   58
 48  \w   -115.00 -88.00   0.50    1.01    -- -107.58 -67.00 -79.23   54
 49  \w   -167.00-109.00   0.50    1.01    -- -107.58 -15.00-120.00  116
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'ROD, SynergyCustom system, HyPix'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0175603000
_diffrn_orient_matrix_UB_12      0.0827328000
_diffrn_orient_matrix_UB_13      0.0467975000
_diffrn_orient_matrix_UB_21      0.0120422000
_diffrn_orient_matrix_UB_22      -0.0195813000
_diffrn_orient_matrix_UB_23      0.0597999000
_diffrn_orient_matrix_UB_31      0.0811791000
_diffrn_orient_matrix_UB_32      0.0141659000
_diffrn_orient_matrix_UB_33      -0.0000210000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.1512
_diffrn_reflns_av_unetI/netI     0.0866
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            122267
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        66.600
_diffrn_reflns_theta_max         66.600
_diffrn_reflns_theta_min         2.472
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    18.308
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.69403
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.44.128a (Rigaku Oxford Diffraction, 2025)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.120
_exptl_crystal_description       block
_exptl_crystal_F_000             4973
_exptl_crystal_size_max          0.02
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.420
_refine_diff_density_min         -2.313
_refine_diff_density_rms         0.213
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1646
_refine_ls_number_reflns         27441
_refine_ls_number_restraints     1101
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0952
_refine_ls_R_factor_gt           0.0756
_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/[\s^2^(Fo^2^)+(0.1391P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2051
_refine_ls_wR_factor_ref         0.2191
_reflns_Friedel_coverage         0.000
_reflns_number_gt                19206
_reflns_number_total             27441
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d6sc00913a2.cif
_cod_data_source_block           InOC-42_auto
_cod_depositor_comments
'Adding full bibliography for 1576882--1576886.cif.'
_cod_original_formula_sum        'C122.70 H255 In15 N18 O79.30'
_cod_database_code               1576886
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         'C H O N In'
_chemical_oxdiff_usercomment     'C H O N In'
_cell_oxdiff_angle_alpha         111.330(2)
_cell_oxdiff_angle_beta          97.1186(18)
_cell_oxdiff_angle_gamma         104.9149(18)
_cell_oxdiff_length_a            19.5767(3)
_cell_oxdiff_length_b            20.3062(4)
_cell_oxdiff_length_c            22.4453(5)
_cell_oxdiff_measurement_reflns_used 35163
_cell_oxdiff_volume              7793.4(3)
_shelx_estimated_absorpt_t_max   0.838
_shelx_estimated_absorpt_t_min   0.711
_diffrn_oxdiff_digest_hkl
;
4396843d00a788e578b249d2bd86ffeb2a2b16
;
_diffrn_oxdiff_digest_od_ed
;

;
_diffrn_oxdiff_measurement_exp_name In15-1D.par
_olex2_refinement_description
;
1. Restrained distances
 O19-C33A = O16-C67A = O34-C72A = O34-C72 = O16-C67 = O19-C33 = O39-C74A = O29-
 C70A = O14-C62A
 1.35 with sigma of 0.02
 C62-C3 = C74-C73 = C71-C70 = C67-C46 = C69-C33 = C72-C60
 1.5 with sigma of 0.02
 O49A-C66A = O40A-C54A
 1.3 with sigma of 0.02
 C64A-C54A
 1.5 with sigma of 0.02
 O43A-C54A
 1.2 with sigma of 0.02
 N5-C71 = N5-C73 = N5-C3 = N6-C46 = N6-C69 = N6-C60 = C46-N6 = N6-C60A = N6-
 C69A = N6-C46A = N5-C73A = N5-C71A = N5-C3A
 1.45 with sigma of 0.02
 C71A-C70A = C62A-C3A = C74A-C73A
 1.5 with sigma of 0.02
 C69A-C33A = C67A-C46A = C72A-C60A
 1.5 with sigma of 0.02
 C60-C46
 2.4 with sigma of 0.02
 C69-C46
 2.4 with sigma of 0.02
 N7-C23 \\sim N7A-C23A
 with sigma of 0.02
 N7-C45 \\sim N7A-C45
 with sigma of 0.02
 C23-C50 \\sim C23A-C50
 with sigma of 0.02
 C27-C50 \\sim C27A-C50
 with sigma of 0.02
 C27-C61 \\sim C27A-C61A
 with sigma of 0.02
 C45-C61 \\sim C45-C61A
 with sigma of 0.02
 N7-C50 \\sim N7A-C50
 with sigma of 0.04
 C23-C45 \\sim C23A-C45
 with sigma of 0.04
 C27-C45 \\sim C27A-C45
 with sigma of 0.04
 C50-C61 \\sim C50-C61A
 with sigma of 0.04
2. Restrained planarity
 O49A, C66A, N9A, C16A, C65A, C13A, C64A, C54A, O40A, O43A
 with sigma of 0.1
3. Uiso/Uaniso restraints and constraints
N6 \\sim C33 \\sim C46 \\sim C60 \\sim C67 \\sim C69 \\sim C72 \\sim C72A \\sim
C60A \\sim C69A \\sim C33A \\sim C46A \\sim C67A \\sim O34 \\sim O19 \\sim O16:
within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C14 \\sim C20 \\sim C35 \\sim C37 \\sim C38 \\sim N11 \\sim C14A \\sim C38A
\\sim C37A \\sim N11A: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02 within 2A
N9 \\sim O40 \\sim C54 \\sim C64 \\sim O43 \\sim C65 \\sim C13 \\sim C16 \\sim
C66 \\sim O49 \\sim C13A \\sim C66A \\sim N9A \\sim C16A \\sim O49A \\sim C65A
\\sim C64A \\sim C54A \\sim O40A \\sim O43A: within 2A with sigma of 0.01 and
sigma for terminal atoms of 0.02 within 2A
N7 \\sim C23 \\sim C27 \\sim C45 \\sim C50 \\sim C61 \\sim C27A \\sim C61A
\\sim N7A \\sim C23A: within 2A with sigma of 0.01 and sigma for terminal atoms
of 0.02 within 2A
C30 \\sim C2 \\sim C15 \\sim C42 \\sim C57 \\sim N10 \\sim C57A \\sim N10A
\\sim C2A \\sim C15A: within 2A with sigma of 0.01 and sigma for terminal atoms
of 0.02 within 2A
C74 \\sim C74A \\sim C73 \\sim C73A \\sim N5 \\sim C71 \\sim C71A \\sim C70
\\sim C70A \\sim O29 \\sim O39 \\sim C62A \\sim C62 \\sim C3A \\sim C3 \\sim
O14: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
Uanis(C75) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C43) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Others
 Sof(In2A)=1-FVAR(1)
 Sof(In2)=FVAR(1)
 Sof(C38A)=Sof(H38A)=Sof(C14A)=Sof(H14A)=Sof(N11A)=Sof(C37A)=Sof(H37A)=1-FVAR(2)
 Sof(C14)=Sof(H14)=Sof(C38)=Sof(H38)=Sof(C37)=Sof(H37)=Sof(N11)=FVAR(2)
 Sof(C27A)=Sof(H27A)=Sof(C61A)=Sof(H61A)=Sof(N7A)=Sof(C23A)=Sof(H23A)=1-FVAR(3)
 Sof(N7)=Sof(C23)=Sof(H23)=Sof(C27)=Sof(H27)=Sof(C61)=Sof(H61)=FVAR(3)
 Sof(C57A)=Sof(H57A)=Sof(C15A)=Sof(H15A)=Sof(C2A)=Sof(H2A)=Sof(N10A)=1-FVAR(4)
 Sof(C15)=Sof(H15)=Sof(C57)=Sof(H57)=Sof(N10)=Sof(C2)=Sof(H2)=FVAR(4)
 Sof(C66A)=Sof(N9A)=Sof(C65A)=Sof(H65A)=Sof(C64A)=Sof(C13A)=Sof(H13A)=
 Sof(C16A)=Sof(H16A)=Sof(O40A)=Sof(H40C)=Sof(C54A)=Sof(O43A)=Sof(O49A)=
 Sof(H49C)=1-FVAR(5)
 Sof(O40)=Sof(O43)=Sof(H43A)=Sof(C54)=Sof(C64)=Sof(C65)=Sof(H65)=Sof(N9)=
 Sof(C66)=Sof(C16)=Sof(H16)=Sof(C13)=Sof(H13)=Sof(O49)=Sof(H49)=FVAR(5)
 Sof(C73A)=Sof(H73C)=Sof(H73D)=Sof(C74A)=Sof(H74C)=Sof(H74D)=Sof(C71A)=
 Sof(H71C)=Sof(H71D)=Sof(C70A)=Sof(H70C)=Sof(H70D)=Sof(C3A)=Sof(H3AA)=Sof(H3AB)=
 Sof(C62A)=Sof(H62C)=Sof(H62D)=1-FVAR(6)
 Sof(C3)=Sof(H3A)=Sof(H3B)=Sof(C62)=Sof(H62A)=Sof(H62B)=Sof(C70)=Sof(H70A)=
 Sof(H70B)=Sof(C71)=Sof(H71A)=Sof(H71B)=Sof(C73)=Sof(H73A)=Sof(H73B)=Sof(C74)=
 Sof(H74A)=Sof(H74B)=FVAR(6)
 Sof(C72A)=Sof(H72C)=Sof(H72D)=Sof(C60A)=Sof(H60C)=Sof(H60D)=Sof(C69A)=
 Sof(H69C)=Sof(H69D)=Sof(C33A)=Sof(H33C)=Sof(H33D)=Sof(C46A)=Sof(H46C)=
 Sof(H46D)=Sof(C67A)=Sof(H67C)=Sof(H67D)=1-FVAR(7)
 Sof(C33)=Sof(H33A)=Sof(H33B)=Sof(C46)=Sof(H46A)=Sof(H46B)=Sof(C60)=Sof(H60A)=
 Sof(H60B)=Sof(C67)=Sof(H67A)=Sof(H67B)=Sof(C69)=Sof(H69A)=Sof(H69B)=Sof(C72)=
 Sof(H72A)=Sof(H72B)=FVAR(7)
 Sof(In)=1-FVAR(8)
 Sof(In14)=FVAR(8)
 Sof(In16)=1-FVAR(9)
 Sof(In12)=FVAR(9)
 Fixed Sof: H7(0.3) C75(0.7) H75A(0.7) H75B(0.7) H75C(0.7) O20(0.3) H20A(0.3)
 H20B(0.3)
 Fixed Y: C33(0.118073)
5.a Riding coordinates:
 O7(H7), O10(H10), O20(H20A,H20B)
5.b Ternary CH refined with riding coordinates:
 O17(H17)
5.c Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B), C7(H7A,H7B), C8(H8A,H8B), C9(H9A,H9B), C10(H10A,H10B), C11(H11A,
 H11B), C12(H12A,H12B), C17(H17A,H17B), C18(H18A,H18B), C21(H21A,H21B),
 C24(H24A,H24B), C25(H25A,H25B), C26(H26A,H26B), C28(H28A,H28B), C29(H29A,H29B),
  C31(H31A,H31B), C32(H32A,H32B), C33(H33A,H33B), C34(H34A,H34B), C39(H39A,
 H39B), C40(H40A,H40B), C41(H41A,H41B), C44(H44A,H44B), C46(H46A,H46B),
 C48(H48A,H48B), C49(H49A,H49B), C53(H53A,H53B), C55(H55A,H55B), C56(H56A,H56B),
  C58(H58A,H58B), C59(H59A,H59B), C60(H60A,H60B), C62(H62A,H62B), C63(H63A,
 H63B), C67(H67A,H67B), C68(H68A,H68B), C69(H69A,H69B), C70(H70A,H70B),
 C71(H71A,H71B), C72(H72A,H72B), C73(H73A,H73B), C74(H74A,H74B), C73A(H73C,
 H73D), C74A(H74C,H74D), C71A(H71C,H71D), C70A(H70C,H70D), C3A(H3AA,H3AB),
 C62A(H62C,H62D), C72A(H72C,H72D), C60A(H60C,H60D), C69A(H69C,H69D), C33A(H33C,
 H33D), C46A(H46C,H46D), C67A(H67C,H67D)
5.d Aromatic/amide H refined with riding coordinates:
 C4(H4), C14(H14), C38(H38), C37(H37), C15(H15), C57(H57), C2(H2), C38A(H38A),
 C14A(H14A), C37A(H37A), C23(H23), C27(H27), C36(H36), C43(H43), C61(H61),
 C65(H65), C16(H16), C13(H13), C27A(H27A), C61A(H61A), C23A(H23A), C57A(H57A),
 C15A(H15A), C2A(H2A), C65A(H65A), C13A(H13A), C16A(H16A)
5.e Fitted hexagon refined as free rotating group:
 C14(C38,C20,C37,N11,C35), C15(C30,C57,N10,C42,C2), C64(C65,N9,C66,C16,C13),
 C66A(N9A,C65A,C64A,C13A,C16A)
5.f Tetrahedral OH refined with riding coordinates:
 O43(H43A), O44(H44), O45(H45), O47(H47), O48(H48), O49(H49), O40A(H40C),
 O49A(H49C)
5.g Idealised Me refined as rotating group:
 C51(H51A,H51B,H51C), C75(H75A,H75B,H75C)
;
_smtbx_masks_special_details
;
A solvent mask was calculated and 1459 electrons were 
found in a volume of 3478\%A^3^ in 2 voids per unit cell. 
This is consistent with the presence of 
13[CH4O], 6[C6H15NO3] per Asymmetric Unit 
which account for 1452 electrons 
per unit cell.
;
_smtbx_masks_void_probe_radius   1.0
_smtbx_masks_void_truncation_radius 1.2
_shelx_res_checksum              93203
_shelx_fab_checksum              58282
_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 2.513
_oxdiff_exptl_absorpt_empirical_full_min 0.354