Hybrid Fullerene-Based Electron Transport Layers Improving the Thermal Stability of Perovskite Solar Cells.
Li, Shu-Hui; Xing, Zhou; Wu, Bao-Shan; Chen, Zuo-Chang; Yao, Yang-Rong; Tian, Han-Rui; Li, Meng-Fan; Yun, Da-Qin; Deng, Lin-Long; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun; ACS applied materials & interfaces  (2020) –; doi:10.1021/acsami.0c02119

data_4517595
_publ_section_title
;
 Hybrid Fullerene-Based Electron Transport Layers Improving the Thermal
 Stability of Perovskite Solar Cells.
;
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_paper_doi               10.1021/acsami.0c02119
_journal_year                    2020
_chemical_formula_moiety         'C148 O2, 2(C S2)'
_chemical_formula_sum            'C150 O2 S4'
_chemical_formula_weight         1961.74
_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_audit_creation_date             2018-04-13
_audit_creation_method
;
Olex2 1.2
(compiled 2018.04.03 svn.r3497 for OlexSys, GUI svn.r5486)
;
_cell_angle_alpha                90
_cell_angle_beta                 99.482(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.9098(3)
_cell_length_b                   16.2274(5)
_cell_length_c                   26.3625(11)
_cell_measurement_reflns_used    7146
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      65.7800
_cell_measurement_theta_min      4.3170
_cell_volume                     4181.4(3)
_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 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.01(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4741
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.962
_diffrn_measured_fraction_theta_max 0.962
_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    -86.00 -16.00   1.00    7.00    --  -40.57 -37.00 150.00   70
  2  \w     30.00  96.00   1.00    7.00    --   40.57-125.00 120.00   66
  3  \w     83.00 114.00   1.00   44.00    --   91.16-125.00  60.00   31
  4  \w     90.00 117.00   1.00   44.00    --   91.16-125.00 -30.00   27
  5  \w     59.00 112.00   1.00   44.00    --   91.16 -61.00 -60.00   53
  6  \w     57.00 120.00   1.00   44.00    --   91.16-125.00-180.00   63
  7  \w     24.00  66.00   1.00   44.00    --   91.16-125.00 -30.00   42
  8  \w     23.00  51.00   1.00   44.00    --   91.16-125.00  60.00   28
  9  \w     16.00  78.00   1.00   44.00    --   91.16 -30.00   0.00   62
 10  \w    125.00 162.00   1.00   44.00    --   91.16  30.00   0.00   37
 11  \w     95.00 165.00   1.00   44.00    --   91.16 125.00  90.00   70
 12  \w     63.00 139.00   1.00   44.00    --   91.16  61.00 -30.00   76
 13  \w    132.00 166.00   1.00   44.00    --   91.16 125.00-150.00   34
 14  \w     12.00 125.00   1.00   44.00    --   91.16 -77.00-180.00  113
 15  \w     14.00  90.00   1.00   44.00    --   91.16 -30.00-180.00   76
 16  \w     13.00  85.00   1.00   44.00    --   91.16 -30.00  60.00   72
 17  \w   -108.00  -2.00   1.00    7.00    --  -40.57 -19.00 -60.00  106
 18  \w   -121.00 -18.00   1.00    7.00    --  -40.57 -19.00  60.00  103
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0290851000
_diffrn_orient_matrix_UB_12      0.0529429000
_diffrn_orient_matrix_UB_13      0.0490916000
_diffrn_orient_matrix_UB_21      0.0619774000
_diffrn_orient_matrix_UB_22      -0.0755284000
_diffrn_orient_matrix_UB_23      0.0307644000
_diffrn_orient_matrix_UB_31      0.1419886000
_diffrn_orient_matrix_UB_32      0.0221514000
_diffrn_orient_matrix_UB_33      -0.0125688000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0877
_diffrn_reflns_av_unetI/netI     0.0643
_diffrn_reflns_Laue_measured_fraction_full 0.962
_diffrn_reflns_Laue_measured_fraction_max 0.962
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            28132
_diffrn_reflns_point_group_measured_fraction_full 0.962
_diffrn_reflns_point_group_measured_fraction_max 0.962
_diffrn_reflns_theta_full        65.860
_diffrn_reflns_theta_max         65.860
_diffrn_reflns_theta_min         4.524
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    1.625
_exptl_absorpt_correction_T_max  0.850
_exptl_absorpt_correction_T_min  0.759
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear dark black'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.558
_exptl_crystal_description       block
_exptl_crystal_F_000             1960
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_platon_squeeze_details
;
TITL exp_4326-r1_a.res in P2(1)/m
CELL    9.9098   16.2274   26.3625     90.00     99.48     90.00
SPGR P21/m
Q101 0.552 0.511 0.346 !       1.07 eA-3
Q102 0.065 0.247 0.219 !       0.98 eA-3
Q103 0.810 0.981 0.343 !       0.86 eA-3
Q104 0.970 0.188 0.217 !       0.81 eA-3
Q105 0.308 0.316 0.190 !       0.79 eA-3
Q106 0.975 0.090 0.071 !       0.76 eA-3
Q107 0.680 0.510 0.304 !       0.73 eA-3
Q108 0.880 0.980 0.001 !       0.71 eA-3
Q109 0.197 0.325 0.193 !       0.69 eA-3
Q110 0.971 0.050 0.032 !       0.66 eA-3
Q111 0.286 0.324 0.209 !       0.61 eA-3
Q112 0.397 0.297 0.162 !       0.58 eA-3
Q113 0.110 0.519 0.986 !       0.57 eA-3
Q114 0.592 1.002 0.134 !       0.57 eA-3
Q115 0.138 0.829 0.834 !       0.57 eA-3
Q116 0.993 0.254 0.320 !       0.55 eA-3
Q117 0.729 0.247 0.477 !       0.53 eA-3
Q118 0.590 0.747 0.336 !       0.52 eA-3
Q119 0.341 0.451 0.454 !       0.52 eA-3
Q120 0.997 0.753 0.211 !       0.52 eA-3
Q121 0.597 0.749 0.539 !       0.51 eA-3
Q122 0.307 0.596 0.748 !       0.51 eA-3
Q123 0.115 0.248 0.648 !       0.50 eA-3
Q124 0.712 0.981 0.388 !       0.50 eA-3
;
_refine_diff_density_max         0.956
_refine_diff_density_min         -0.691
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1573
_refine_ls_number_reflns         7267
_refine_ls_number_restraints     2049
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.1779
_refine_ls_R_factor_gt           0.1545
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0900P)^2^+42.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3304
_refine_ls_wR_factor_ref         0.3455
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5530
_reflns_number_total             7267
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            am0c02119_si_004.cif
_cod_data_source_block           exp_4326-r1_sq
_cod_database_code               4517595
_shelx_shelxl_version_number     2018/1
_reflns_odcompleteness_completeness 99.93
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     61.08
_olex2_refinement_description
;
1. Restrained distances
 C22C-C4C = C16C-C29C
 1.38 with sigma of 0.02
 C3C-C4C = C16C-C17C
 1.42 with sigma of 0.02
 C4B-C5B = C10B-C11B = C15B-C16B = C20B-C21B = C23B-C24B = C29B-C30B = C35B-
 C36B = C40B-C41B = C44B-C45B = C49B-C50B
 1.42 with sigma of 0.02
 C3B-C4B = C5B-C6B = C7B-C21B = C9B-C10B = C11B-C12B = C14B-C15B = C16B-C17B =
 C19B-C20B = C22B-C23B = C25B-C26B = C27B-C45B
 1.38 with sigma of 0.02
 C21C-C22C \\sim C22C-C23C \\sim C23C-C24C \\sim C24C-C32C \\sim C32C-C21C
 with sigma of 0.02
 C21C-C23C \\sim C21C-C24C \\sim C22C-C24C \\sim C22C-C32C \\sim C23C-C32C
 with sigma of 0.02
 C30C-C31C \\sim C31C-C27C \\sim C27C-C28C \\sim C28C-C29C \\sim C29C-C30C
 with sigma of 0.02
 C30C-C27C \\sim C30C-C28C \\sim C31C-C28C \\sim C31C-C29C \\sim C27C-C29C
 with sigma of 0.02
 C13C-C14C \\sim C13C-C12C \\sim C13C-C28C
 with sigma of 0.02
 C28C-C12C \\sim C12C-C14C \\sim C14C-C28C
 with sigma of 0.02
 C15C-C16C \\sim C15C-C14C
 with sigma of 0.02
 C15C-C29C \\sim C15C-C13C
 with sigma of 0.02
 C16C-C29C \\sim C16C-C17C \\sim C16C-C15C
 with sigma of 0.02
 C29C-C15C \\sim C15C-C17C \\sim C17C-C29C
 with sigma of 0.02
 C19C-C20C \\sim C20C-C2C
 with sigma of 0.02
 C21C-C19C \\sim C19C-C2C \\sim C2C-C21C
 with sigma of 0.04
 C25C-C9C \\sim C9C-C10C \\sim C10C-C11C
 with sigma of 0.02
 C25C-C10C \\sim C25C-C11C \\sim C9C-C11C
 with sigma of 0.02
 C4A-C5A \\sim C5A-C19A \\sim C19A-C18A \\sim C18A-C17A \\sim C17A-C4A
 with sigma of 0.02
 C4A-C19A \\sim C4A-C18A \\sim C5A-C18A \\sim C5A-C17A \\sim C19A-C17A
 with sigma of 0.02
 C15A-C16A \\sim C16A-C34A \\sim C34A-C33A \\sim C33A-C32A \\sim C32A-C15A
 with sigma of 0.02
 C15A-C34A \\sim C15A-C33A \\sim C16A-C33A \\sim C16A-C32A \\sim C34A-C32A
 with sigma of 0.02
 C20A-C21A \\sim C21A-C22A \\sim C22A-C39A \\sim C39A-C38A \\sim C38A-C20A
 with sigma of 0.02
 C20A-C22A \\sim C20A-C39A \\sim C21A-C39A \\sim C21A-C38A \\sim C22A-C38A
 with sigma of 0.02
 C1B-C6B \\sim C1B-C9B \\sim C2B-C3B \\sim C2B-C12B
 with sigma of 0.02
 C1B-C7B \\sim C1B-C8B \\sim C2B-C14B \\sim C2B-C13B
 with sigma of 0.02
 C4B-C5B \\sim C5B-C19B \\sim C19B-C18B \\sim C18B-C17B \\sim C17B-C4B
 with sigma of 0.02
 C4B-C19B \\sim C4B-C18B \\sim C5B-C18B \\sim C5B-C17B \\sim C19B-C17B
 with sigma of 0.02
 C10B-C11B \\sim C11B-C28B \\sim C28B-C27B \\sim C27B-C26B \\sim C26B-C10B
 with sigma of 0.02
 C10B-C28B \\sim C10B-C27B \\sim C11B-C27B \\sim C11B-C26B \\sim C28B-C26B
 with sigma of 0.02
 C15B-C16B \\sim C16B-C34B \\sim C34B-C33B \\sim C33B-C32B \\sim C32B-C15B
 with sigma of 0.02
 C15B-C34B \\sim C15B-C33B \\sim C16B-C33B \\sim C16B-C32B \\sim C34B-C32B
 with sigma of 0.02
 C20B-C21B \\sim C21B-C22B \\sim C22B-C39B \\sim C39B-C38B \\sim C38B-C20B
 with sigma of 0.02
 C20B-C22B \\sim C20B-C39B \\sim C21B-C39B \\sim C21B-C38B \\sim C22B-C38B
 with sigma of 0.02
 C23B-C24B \\sim C24B-C25B \\sim C25B-C43B \\sim C43B-C42B \\sim C42B-C23B
 with sigma of 0.02
 C23B-C25B \\sim C23B-C43B \\sim C24B-C43B \\sim C24B-C42B \\sim C25B-C42B
 with sigma of 0.02
 C29B-C30B \\sim C30B-C31B \\sim C31B-C48B \\sim C48B-C47B \\sim C47B-C29B
 with sigma of 0.02
 C29B-C31B \\sim C29B-C48B \\sim C30B-C48B \\sim C30B-C47B \\sim C31B-C47B
 with sigma of 0.02
 C35B-C36B \\sim C36B-C37B \\sim C37B-C53B \\sim C53B-C52B \\sim C52B-C35B
 with sigma of 0.02
 C35B-C37B \\sim C35B-C53B \\sim C36B-C53B \\sim C36B-C52B \\sim C37B-C52B
 with sigma of 0.02
 C40B-C41B \\sim C41B-C56B \\sim C56B-C55B \\sim C55B-C54B \\sim C54B-C40B
 with sigma of 0.02
 C40B-C56B \\sim C40B-C55B \\sim C41B-C55B \\sim C41B-C54B \\sim C56B-C54B
 with sigma of 0.02
 C44B-C45B \\sim C45B-C46B \\sim C46B-C58B \\sim C58B-C57B \\sim C57B-C44B
 with sigma of 0.02
 C44B-C46B \\sim C44B-C58B \\sim C45B-C58B \\sim C45B-C57B \\sim C46B-C57B
 with sigma of 0.02
 C49B-C50B \\sim C50B-C51B \\sim C51B-C60B \\sim C60B-C59B \\sim C59B-C49B
 with sigma of 0.02
 C49B-C51B \\sim C49B-C60B \\sim C50B-C60B \\sim C50B-C59B \\sim C51B-C59B
 with sigma of 0.02
 C4B-C12B \\sim C4B-C13B \\sim C3B-C18B \\sim C3B-C19B
 with sigma of 0.02
 C5B-C7B \\sim C5B-C20B \\sim C21B-C6B \\sim C21B-C19B
 with sigma of 0.02
2. Restrained planarity
 C21C, C22C, C23C, C24C, C32C
 with sigma of 0.1
 C27C, C28C, C29C, C30C, C31C
 with sigma of 0.1
 C13C, C14C, C15C, C16C, C28C, C29C
 with sigma of 0.01
 C9C, C10C, C11C, C25C
 with sigma of 0.1
 C4B, C5B, C17B, C18B, C19B
 with sigma of 0.1
 C10B, C11B, C26B, C27B, C28B
 with sigma of 0.1
 C15B, C16B, C32B, C33B, C34B
 with sigma of 0.1
 C20B, C21B, C22B, C38B, C39B
 with sigma of 0.1
 C23B, C24B, C25B, C42B, C43B
 with sigma of 0.1
 C29B, C30B, C31B, C47B, C48B
 with sigma of 0.1
 C35B, C36B, C37B, C52B, C53B
 with sigma of 0.1
 C40B, C41B, C54B, C55B, C56B
 with sigma of 0.1
 C44B, C45B, C46B, C57B, C58B
 with sigma of 0.1
 C49B, C50B, C51B, C59B, C60B
 with sigma of 0.1
3. Uiso/Uaniso restraints and constraints
C1C \\sim C2C \\sim C3C \\sim C4C \\sim C5C \\sim C6C \\sim C7C \\sim C8C \\sim
C9C \\sim C10C \\sim C11C \\sim C12C \\sim C13C \\sim C14C \\sim C15C \\sim
C16C \\sim C17C \\sim C18C \\sim C19C \\sim C20C \\sim C21C \\sim C22C \\sim
C23C \\sim C24C \\sim C25C \\sim C26C \\sim C27C \\sim C28C \\sim C29C \\sim
C30C \\sim C31C \\sim C32C: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
C1A \\sim C2A \\sim C3A \\sim C4A \\sim C5A \\sim C6A \\sim C7A \\sim C8A \\sim
C9A \\sim C10A \\sim C11A \\sim C12A \\sim C13A \\sim C14A \\sim C15A \\sim
C16A \\sim C17A \\sim C18A \\sim C19A \\sim C20A \\sim C21A \\sim C22A \\sim
C23A \\sim C24A \\sim C25A \\sim C26A \\sim C27A \\sim C28A \\sim C29A \\sim
C30A \\sim C31A \\sim C32A \\sim C33A \\sim C34A \\sim C35A \\sim C36A \\sim
C37A \\sim C38A \\sim C39A \\sim C40A \\sim C41A \\sim C42A \\sim C43A \\sim
C44A \\sim C45A \\sim C46A \\sim C47A \\sim C48A \\sim C49A \\sim C50A \\sim
C51A \\sim C52A \\sim C53A \\sim C54A \\sim C55A \\sim C56A \\sim C57A \\sim
C58A \\sim C59A \\sim C60A \\sim C61A \\sim C62A \\sim C63A \\sim C64A \\sim
C65A \\sim C66A \\sim C67A \\sim C68A \\sim C69A \\sim C70A \\sim C71A \\sim
C72A \\sim C73A \\sim C74A \\sim C75A \\sim C76A: within 2A with sigma of 0.01
and sigma for terminal atoms of 0.02
C1B \\sim C2B \\sim C3B \\sim C4B \\sim C5B \\sim C6B \\sim C7B \\sim C8B \\sim
C9B \\sim C10B \\sim C11B \\sim C12B \\sim C13B \\sim C14B \\sim C15B \\sim
C16B \\sim C17B \\sim C18B \\sim C19B \\sim C20B \\sim C21B \\sim C22B \\sim
C23B \\sim C24B \\sim C25B \\sim C26B \\sim C27B \\sim C28B \\sim C29B \\sim
C30B \\sim C31B \\sim C32B \\sim C33B \\sim C34B \\sim C35B \\sim C36B \\sim
C37B \\sim C38B \\sim C39B \\sim C40B \\sim C41B \\sim C42B \\sim C43B \\sim
C44B \\sim C45B \\sim C46B \\sim C47B \\sim C48B \\sim C49B \\sim C50B \\sim
C51B \\sim C52B \\sim C53B \\sim C54B \\sim C55B \\sim C56B \\sim C57B \\sim
C58B \\sim C59B \\sim C60B: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
O1B \\sim O2B \\sim C61B \\sim C62B \\sim C63B \\sim C64B \\sim C65B \\sim C66B
\\sim C67B \\sim C68B \\sim C69B \\sim C70B: within 2A with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C38B) \\sim Ueq, Uanis(C34A) \\sim Ueq, Uanis(C22A) \\sim Ueq: with sigma
of 0.005 and sigma for terminal atoms of 0.01
Uanis(C26A) \\sim Ueq, Uanis(C63B) \\sim Ueq, Uanis(C48A) \\sim Ueq,
Uanis(C27B) \\sim Ueq, Uanis(C16A) \\sim Ueq, Uanis(C20A) \\sim Ueq,
Uanis(C32A) \\sim Ueq, Uanis(C66A) \\sim Ueq, Uanis(C36B) \\sim Ueq,
Uanis(C21B) \\sim Ueq, Uanis(C31B) \\sim Ueq, Uanis(C10A) \\sim Ueq,
Uanis(C45A) \\sim Ueq, Uanis(C7C) \\sim Ueq, Uanis(C31C) \\sim Ueq, Uanis(C6C)
\\sim Ueq, Uanis(C29B) \\sim Ueq, Uanis(C41B) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
4. Others
 Fixed Sof: O1B(0.5) O2B(0.5) C67B(0.5) C68B(0.5) C69B(0.5) C70B(0.5) C1B(0.3)
 C2B(0.3) C3B(0.3) C4B(0.3) C5B(0.3) C6B(0.3) C7B(0.3) C8B(0.3) C9B(0.3)
 C10B(0.3) C11B(0.3) C12B(0.3) C13B(0.3) C14B(0.3) C15B(0.3) C16B(0.3)
 C17B(0.3) C18B(0.3) C19B(0.3) C20B(0.3) C21B(0.3) C22B(0.3) C23B(0.3)
 C24B(0.3) C25B(0.3) C26B(0.3) C27B(0.3) C28B(0.3) C29B(0.3) C30B(0.3)
 C31B(0.3) C32B(0.3) C33B(0.3) C34B(0.3) C35B(0.3) C36B(0.3) C37B(0.3)
 C38B(0.3) C39B(0.3) C40B(0.3) C41B(0.3) C42B(0.3) C43B(0.3) C44B(0.3)
 C45B(0.3) C46B(0.3) C47B(0.3) C48B(0.3) C49B(0.3) C50B(0.3) C51B(0.3)
 C52B(0.3) C53B(0.3) C54B(0.3) C55B(0.3) C56B(0.3) C57B(0.3) C58B(0.3)
 C59B(0.3) C60B(0.3) C1C(0.4) C2C(0.4) C3C(0.4) C4C(0.4) C5C(0.2) C6C(0.2)
 C7C(0.4) C8C(0.4) C9C(0.4) C10C(0.4) C11C(0.4) C12C(0.4) C13C(0.4) C14C(0.2)
 C15C(0.2) C16C(0.4) C17C(0.4) C18C(0.4) C19C(0.4) C20C(0.4) C21C(0.4)
 C22C(0.4) C23C(0.4) C24C(0.4) C25C(0.4) C26C(0.4) C27C(0.4) C28C(0.4)
 C29C(0.4) C30C(0.4) C31C(0.4) C32C(0.4) C1A(0.5) C3A(0.5) C4A(0.5) C6A(0.5)
 C7A(0.5) C8A(0.5) C9A(0.5) C10A(0.5) C11A(0.5) C12A(0.5) C13A(0.5) C14A(0.5)
 C15A(0.5) C16A(0.5) C17A(0.5) C18A(0.5) C20A(0.5) C21A(0.5) C22A(0.5)
 C23A(0.5) C24A(0.5) C25A(0.5) C26A(0.5) C27A(0.5) C29A(0.5) C30A(0.5)
 C31A(0.5) C32A(0.5) C33A(0.5) C34A(0.5) C35A(0.5) C36A(0.5) C38A(0.5)
 C39A(0.5) C40A(0.5) C41A(0.5) C42A(0.5) C43A(0.5) C44A(0.5) C45A(0.5)
 C46A(0.5) C47A(0.5) C48A(0.5) C49A(0.5) C50A(0.5) C51A(0.5) C52A(0.5)
 C53A(0.5) C54A(0.5) C56A(0.5) C57A(0.5) C58A(0.5) C59A(0.5) C60A(0.5)
 C61A(0.5) C62A(0.5) C63A(0.5) C64A(0.5) C65A(0.5) C66A(0.5) C67A(0.5)
 C68A(0.5) C69A(0.5) C70A(0.5) C74A(0.5) C73A(0.5) C72A(0.5) C71A(0.5)
 C76A(0.5) C75A(0.5)
5.a Fitted hexagon refined as free rotating group:
 C74A(C73A,C72A,C71A,C76A,C75A)
;
_platon_squeeze_void_probe_radius 1.20
_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
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.808
_oxdiff_exptl_absorpt_empirical_full_min 0.719