# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_gb1984_lt
_database_code_depnum_ccdc_archive 'CCDC 2277547'
loop_
_audit_author_name
_audit_author_address
'Grzegorz Dutkiewicz'
;Adam Mickiewicz University
Poland
;
_audit_update_record             
;
2023-08-29 deposited with the CCDC.	2023-08-31 downloaded from the CCDC.
;
_audit_creation_date             2023-08-28
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C26 H21 F Ge'
_chemical_formula_sum            'C26 H21 F Ge'
_chemical_formula_weight         425.02
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 '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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   10.1158(3)
_cell_length_b                   10.3844(3)
_cell_length_c                   19.5215(5)
_cell_angle_alpha                90
_cell_angle_beta                 94.317(2)
_cell_angle_gamma                90
_cell_volume                     2044.87(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5229
_cell_measurement_temperature    100(1)
_cell_measurement_theta_max      27.1280
_cell_measurement_theta_min      2.9380
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.515
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.95465
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.56a (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.381
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             872
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0498
_diffrn_reflns_av_unetI/netI     0.0622
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.861
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            15431
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.861
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.425
_diffrn_reflns_theta_min         2.797
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100(1)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1544
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.861
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     30.00  89.00   1.00   10.00    --   16.56  27.00  79.00   59
  2  ω    -52.00  49.00   1.00   10.00    --   16.56 -27.00 -83.00  101
  3  ω    -21.00   4.00   1.00   10.00    --  -17.42  27.00  79.00   25
  4  ω    -62.00 -37.00   1.00   10.00    --  -17.42 -27.00 -83.00   25
  5  ω     39.00  87.00   1.00   10.00    --   16.56 178.00 -90.00   48
  6  ω    -20.00  36.00   1.00   10.00    --   16.56 -99.00  90.00   56
  7  ω     -6.00  20.00   1.00   10.00    --   16.56  77.00   0.00   26
  8  ω    -13.00  31.00   1.00   10.00    --   16.56  77.00 150.00   44
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0653948000
_diffrn_orient_matrix_UB_12      -0.0244751000
_diffrn_orient_matrix_UB_13      0.0052363000
_diffrn_orient_matrix_UB_21      0.0058760000
_diffrn_orient_matrix_UB_22      0.0010710000
_diffrn_orient_matrix_UB_23      -0.0359780000
_diffrn_orient_matrix_UB_31      0.0251292000
_diffrn_orient_matrix_UB_32      0.0637564000
_diffrn_orient_matrix_UB_33      0.0026122000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3449
_reflns_number_total             4435
_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 1.171.42.56a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.56a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.56a (Rigaku OD, 2022)'
_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  (Sheldrick, 2015)'
_refine_diff_density_max         0.743
_refine_diff_density_min         -0.442
_refine_diff_density_rms         0.091
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     261
_refine_ls_number_reflns         4435
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0633
_refine_ls_R_factor_gt           0.0436
_refine_ls_restrained_S_all      1.057
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0322P)²+1.1872P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0839
_refine_ls_wR_factor_ref         0.0926
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C12(H12), C13(H13), C14(H14), C16(H16), C22(H22), C23(H23), C24(H24),
 C25(H25), C26(H26), C32(H32), C33(H33), C34(H34), C35(H35), C36(H36), C42(H42),
  C43(H43), C44(H44), C45(H45), C46(H46)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_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
Ge1 Ge 0.72520(3) 0.71001(3) 0.57599(2) 0.01456(10) Uani 1 1 d . . . . .
F1 F 0.5566(2) 0.13663(17) 0.65848(12) 0.0445(5) Uani 1 1 d . . . . .
C1 C 0.7672(3) 0.5274(3) 0.58843(14) 0.0167(6) Uani 1 1 d . . . . .
C2 C 0.8550(3) 0.4748(3) 0.55022(18) 0.0278(8) Uani 1 1 d . . . . .
H2A H 0.894(3) 0.522(3) 0.5163(15) 0.017(8) Uiso 1 1 d . . . . .
H2B H 0.887(3) 0.391(3) 0.5552(16) 0.033(9) Uiso 1 1 d . . . . .
C11 C 0.7024(3) 0.4514(3) 0.64063(14) 0.0171(6) Uani 1 1 d . . . . .
C12 C 0.6772(3) 0.5035(3) 0.70408(15) 0.0205(6) Uani 1 1 d . . . . .
H12 H 0.702649 0.589841 0.714428 0.025 Uiso 1 1 calc R U . . .
C13 C 0.6160(3) 0.4323(3) 0.75202(16) 0.0280(7) Uani 1 1 d . . . . .
H13 H 0.601138 0.469310 0.795281 0.034 Uiso 1 1 calc R U . . .
C14 C 0.5759(3) 0.3072(3) 0.73764(18) 0.0325(8) Uani 1 1 d . . . . .
H14 H 0.533800 0.257161 0.770424 0.039 Uiso 1 1 calc R U . . .
C15 C 0.5989(3) 0.2582(3) 0.67492(18) 0.0284(8) Uani 1 1 d . . . . .
C16 C 0.6605(3) 0.3257(3) 0.62575(16) 0.0233(7) Uani 1 1 d . . . . .
H16 H 0.674321 0.287586 0.582612 0.028 Uiso 1 1 calc R U . . .
C21 C 0.5360(3) 0.7421(3) 0.57484(14) 0.0164(6) Uani 1 1 d . . . . .
C22 C 0.4886(3) 0.8670(3) 0.56253(14) 0.0203(6) Uani 1 1 d . . . . .
H22 H 0.549905 0.933720 0.554636 0.024 Uiso 1 1 calc R U . . .
C23 C 0.3556(3) 0.8961(3) 0.56150(15) 0.0245(7) Uani 1 1 d . . . . .
H23 H 0.325980 0.981688 0.552614 0.029 Uiso 1 1 calc R U . . .
C24 C 0.2654(3) 0.8002(3) 0.57346(15) 0.0267(7) Uani 1 1 d . . . . .
H24 H 0.173748 0.819846 0.573814 0.032 Uiso 1 1 calc R U . . .
C25 C 0.3097(3) 0.6757(3) 0.58488(16) 0.0271(7) Uani 1 1 d . . . . .
H25 H 0.247946 0.609225 0.592575 0.033 Uiso 1 1 calc R U . . .
C26 C 0.4433(3) 0.6470(3) 0.58519(15) 0.0204(6) Uani 1 1 d . . . . .
H26 H 0.472063 0.560716 0.592627 0.025 Uiso 1 1 calc R U . . .
C31 C 0.8223(3) 0.8056(3) 0.64979(14) 0.0167(6) Uani 1 1 d . . . . .
C32 C 0.7664(3) 0.9067(3) 0.68396(15) 0.0225(7) Uani 1 1 d . . . . .
H32 H 0.676809 0.930446 0.672205 0.027 Uiso 1 1 calc R U . . .
C33 C 0.8402(3) 0.9734(3) 0.73518(16) 0.0275(7) Uani 1 1 d . . . . .
H33 H 0.800779 1.042556 0.758150 0.033 Uiso 1 1 calc R U . . .
C34 C 0.9696(3) 0.9404(3) 0.75298(16) 0.0270(7) Uani 1 1 d . . . . .
H34 H 1.019492 0.986482 0.788139 0.032 Uiso 1 1 calc R U . . .
C35 C 1.0269(3) 0.8400(3) 0.71959(16) 0.0246(7) Uani 1 1 d . . . . .
H35 H 1.116448 0.816795 0.731754 0.030 Uiso 1 1 calc R U . . .
C36 C 0.9537(3) 0.7731(3) 0.66825(15) 0.0197(6) Uani 1 1 d . . . . .
H36 H 0.993671 0.704215 0.645385 0.024 Uiso 1 1 calc R U . . .
C41 C 0.7872(3) 0.7627(3) 0.48825(14) 0.0165(6) Uani 1 1 d . . . . .
C42 C 0.7162(3) 0.7243(3) 0.42738(15) 0.0229(7) Uani 1 1 d . . . . .
H42 H 0.637662 0.674712 0.429524 0.028 Uiso 1 1 calc R U . . .
C43 C 0.7589(3) 0.7574(3) 0.36438(16) 0.0308(8) Uani 1 1 d . . . . .
H43 H 0.709239 0.731265 0.323499 0.037 Uiso 1 1 calc R U . . .
C44 C 0.8732(3) 0.8283(3) 0.36029(17) 0.0281(7) Uani 1 1 d . . . . .
H44 H 0.902949 0.850338 0.316787 0.034 Uiso 1 1 calc R U . . .
C45 C 0.9437(3) 0.8669(3) 0.41953(16) 0.0256(7) Uani 1 1 d . . . . .
H45 H 1.022328 0.916148 0.416876 0.031 Uiso 1 1 calc R U . . .
C46 C 0.9015(3) 0.8349(3) 0.48295(16) 0.0212(7) Uani 1 1 d . . . . .
H46 H 0.951246 0.862697 0.523483 0.025 Uiso 1 1 calc R U . . .


_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
Ge1 C1 1.954(3) . ?
Ge1 C21 1.941(3) . ?
Ge1 C31 1.953(3) . ?
Ge1 C41 1.946(3) . ?
F1 C15 1.363(4) . ?
C1 C2 1.320(4) . ?
C1 C11 1.481(4) . ?
C2 H2A 0.93(3) . ?
C2 H2B 0.93(3) . ?
C11 C12 1.393(4) . ?
C11 C16 1.396(4) . ?
C12 H12 0.9500 . ?
C12 C13 1.376(4) . ?
C13 H13 0.9500 . ?
C13 C14 1.383(5) . ?
C14 H14 0.9500 . ?
C14 C15 1.362(5) . ?
C15 C16 1.375(4) . ?
C16 H16 0.9500 . ?
C21 C22 1.397(4) . ?
C21 C26 1.387(4) . ?
C22 H22 0.9500 . ?
C22 C23 1.378(4) . ?
C23 H23 0.9500 . ?
C23 C24 1.382(4) . ?
C24 H24 0.9500 . ?
C24 C25 1.382(4) . ?
C25 H25 0.9500 . ?
C25 C26 1.384(4) . ?
C26 H26 0.9500 . ?
C31 C32 1.387(4) . ?
C31 C36 1.391(4) . ?
C32 H32 0.9500 . ?
C32 C33 1.387(4) . ?
C33 H33 0.9500 . ?
C33 C34 1.372(4) . ?
C34 H34 0.9500 . ?
C34 C35 1.380(4) . ?
C35 H35 0.9500 . ?
C35 C36 1.387(4) . ?
C36 H36 0.9500 . ?
C41 C42 1.399(4) . ?
C41 C46 1.389(4) . ?
C42 H42 0.9500 . ?
C42 C43 1.378(4) . ?
C43 H43 0.9500 . ?
C43 C44 1.378(5) . ?
C44 H44 0.9500 . ?
C44 C45 1.372(4) . ?
C45 H45 0.9500 . ?
C45 C46 1.380(4) . ?
C46 H46 0.9500 . ?

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
C21 Ge1 C1 111.88(12) . . ?
C21 Ge1 C31 111.24(12) . . ?
C21 Ge1 C41 108.91(12) . . ?
C31 Ge1 C1 108.01(11) . . ?
C41 Ge1 C1 107.50(12) . . ?
C41 Ge1 C31 109.20(12) . . ?
C2 C1 Ge1 118.7(2) . . ?
C2 C1 C11 121.3(3) . . ?
C11 C1 Ge1 120.0(2) . . ?
C1 C2 H2A 121.4(18) . . ?
C1 C2 H2B 125(2) . . ?
H2A C2 H2B 114(3) . . ?
C12 C11 C1 121.6(3) . . ?
C12 C11 C16 118.4(3) . . ?
C16 C11 C1 119.9(3) . . ?
C11 C12 H12 119.4 . . ?
C13 C12 C11 121.2(3) . . ?
C13 C12 H12 119.4 . . ?
C12 C13 H13 119.8 . . ?
C12 C13 C14 120.4(3) . . ?
C14 C13 H13 119.8 . . ?
C13 C14 H14 121.1 . . ?
C15 C14 C13 117.8(3) . . ?
C15 C14 H14 121.1 . . ?
F1 C15 C16 117.3(3) . . ?
C14 C15 F1 119.1(3) . . ?
C14 C15 C16 123.6(3) . . ?
C11 C16 H16 120.7 . . ?
C15 C16 C11 118.5(3) . . ?
C15 C16 H16 120.7 . . ?
C22 C21 Ge1 119.1(2) . . ?
C26 C21 Ge1 123.6(2) . . ?
C26 C21 C22 117.3(3) . . ?
C21 C22 H22 119.1 . . ?
C23 C22 C21 121.8(3) . . ?
C23 C22 H22 119.1 . . ?
C22 C23 H23 120.1 . . ?
C22 C23 C24 119.7(3) . . ?
C24 C23 H23 120.1 . . ?
C23 C24 H24 120.3 . . ?
C25 C24 C23 119.5(3) . . ?
C25 C24 H24 120.3 . . ?
C24 C25 H25 119.8 . . ?
C24 C25 C26 120.4(3) . . ?
C26 C25 H25 119.8 . . ?
C21 C26 H26 119.4 . . ?
C25 C26 C21 121.2(3) . . ?
C25 C26 H26 119.4 . . ?
C32 C31 Ge1 122.6(2) . . ?
C32 C31 C36 118.4(3) . . ?
C36 C31 Ge1 119.0(2) . . ?
C31 C32 H32 119.8 . . ?
C31 C32 C33 120.5(3) . . ?
C33 C32 H32 119.8 . . ?
C32 C33 H33 119.7 . . ?
C34 C33 C32 120.6(3) . . ?
C34 C33 H33 119.7 . . ?
C33 C34 H34 120.1 . . ?
C33 C34 C35 119.7(3) . . ?
C35 C34 H34 120.1 . . ?
C34 C35 H35 120.0 . . ?
C34 C35 C36 119.9(3) . . ?
C36 C35 H35 120.0 . . ?
C31 C36 H36 119.6 . . ?
C35 C36 C31 120.9(3) . . ?
C35 C36 H36 119.6 . . ?
C42 C41 Ge1 119.3(2) . . ?
C46 C41 Ge1 122.8(2) . . ?
C46 C41 C42 117.9(3) . . ?
C41 C42 H42 119.6 . . ?
C43 C42 C41 120.8(3) . . ?
C43 C42 H42 119.6 . . ?
C42 C43 H43 119.8 . . ?
C42 C43 C44 120.4(3) . . ?
C44 C43 H43 119.8 . . ?
C43 C44 H44 120.2 . . ?
C45 C44 C43 119.5(3) . . ?
C45 C44 H44 120.2 . . ?
C44 C45 H45 119.7 . . ?
C44 C45 C46 120.6(3) . . ?
C46 C45 H45 119.7 . . ?
C41 C46 H46 119.6 . . ?
C45 C46 C41 120.8(3) . . ?
C45 C46 H46 119.6 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ge1 C1 C11 C12 -37.9(3) . . . . ?
Ge1 C1 C11 C16 139.7(2) . . . . ?
Ge1 C21 C22 C23 -179.6(2) . . . . ?
Ge1 C21 C26 C25 179.0(2) . . . . ?
Ge1 C31 C32 C33 -178.8(2) . . . . ?
Ge1 C31 C36 C35 178.9(2) . . . . ?
Ge1 C41 C42 C43 -178.6(2) . . . . ?
Ge1 C41 C46 C45 178.1(2) . . . . ?
F1 C15 C16 C11 178.6(3) . . . . ?
C1 C11 C12 C13 179.5(3) . . . . ?
C1 C11 C16 C15 -179.0(3) . . . . ?
C2 C1 C11 C12 141.2(3) . . . . ?
C2 C1 C11 C16 -41.2(4) . . . . ?
C11 C12 C13 C14 -1.1(4) . . . . ?
C12 C11 C16 C15 -1.4(4) . . . . ?
C12 C13 C14 C15 -0.1(4) . . . . ?
C13 C14 C15 F1 -177.8(3) . . . . ?
C13 C14 C15 C16 0.6(5) . . . . ?
C14 C15 C16 C11 0.2(5) . . . . ?
C16 C11 C12 C13 1.9(4) . . . . ?
C21 C22 C23 C24 0.5(4) . . . . ?
C22 C21 C26 C25 -1.5(4) . . . . ?
C22 C23 C24 C25 -1.3(5) . . . . ?
C23 C24 C25 C26 0.8(5) . . . . ?
C24 C25 C26 C21 0.7(5) . . . . ?
C26 C21 C22 C23 0.9(4) . . . . ?
C31 C32 C33 C34 -0.1(5) . . . . ?
C32 C31 C36 C35 0.0(4) . . . . ?
C32 C33 C34 C35 0.1(5) . . . . ?
C33 C34 C35 C36 0.1(5) . . . . ?
C34 C35 C36 C31 -0.1(4) . . . . ?
C36 C31 C32 C33 0.1(4) . . . . ?
C41 C42 C43 C44 0.5(5) . . . . ?
C42 C41 C46 C45 -0.4(4) . . . . ?
C42 C43 C44 C45 -0.7(5) . . . . ?
C43 C44 C45 C46 0.3(5) . . . . ?
C44 C45 C46 C41 0.2(4) . . . . ?
C46 C41 C42 C43 0.0(4) . . . . ?

_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 1.186
_oxdiff_exptl_absorpt_empirical_full_min 0.930
