# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2021

####################################################################### 
# 
# 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. 
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data_Complex_1
_database_code_depnum_ccdc_archive 'CCDC 2106529'
loop_
_audit_author_name
_audit_author_address
'Jesse Murillo'
;University of Texas at El Paso
United States of America
;
_audit_update_record             
;
2021-11-04 deposited with the CCDC.	2021-11-23 downloaded from the CCDC.
;
_audit_creation_date             2021-10-31
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C36 H76 O4 U'
_chemical_formula_sum            'C36 H76 O4 U'
_chemical_formula_weight         810.99
_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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -9.6767 9.6646 '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/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   12.4277(3)
_cell_length_b                   17.9692(5)
_cell_length_c                   18.4162(5)
_cell_angle_alpha                90
_cell_angle_beta                 99.1560(10)
_cell_angle_gamma                90
_cell_volume                     4060.23(19)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9518
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      33.02
_cell_measurement_theta_min      2.53
_shelx_estimated_absorpt_T_max   0.500
_shelx_estimated_absorpt_T_min   0.378
_exptl_absorpt_coefficient_mu    4.028
_exptl_absorpt_correction_T_max  0.7465
_exptl_absorpt_correction_T_min  0.5264
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0953 before and 0.0548 after correction. The Ratio of minimum to maximum transmission is 0.7052. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear bluish blue'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   bluish
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    1.327
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1664
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0362
_diffrn_reflns_av_unetI/netI     0.0279
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.927
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            78945
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.927
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.168
_diffrn_reflns_theta_min         2.010
_diffrn_ambient_temperature      99.99
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'Bruker SMART CCD 1K area detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.927
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART CCD 1K area detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_target            Mo
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12266
_reflns_number_total             14383
_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       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.786
_refine_diff_density_min         -1.346
_refine_diff_density_rms         0.114
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     394
_refine_ls_number_reflns         14383
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0345
_refine_ls_R_factor_gt           0.0238
_refine_ls_restrained_S_all      1.080
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0034P)²+6.0263P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0461
_refine_ls_wR_factor_ref         0.0527
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C18(H18), C27(H27), C9(H9), C1(H1)
2.b Idealised Me refined as rotating group:
 C25(H25A,H25B,H25C), C21(H21A,H21B,H21C), C34(H34A,H34B,H34C), C26(H26A,H26B,
 H26C), C30(H30A,H30B,H30C), C35(H35A,H35B,H35C), C12(H12A,H12B,H12C), C3(H3A,
 H3B,H3C), C16(H16A,H16B,H16C), C11(H11A,H11B,H11C), C00S(H00A,H00B,H00C),
 C22(H22A,H22B,H22C), C24(H24A,H24B,H24C), C20(H20A,H20B,H20C), C31(H31A,H31B,
 H31C), C33(H33A,H33B,H33C), C15(H15A,H15B,H15C), C8(H8A,H8B,H8C), C29(H29A,
 H29B,H29C), C5(H5A,H5B,H5C), C17(H17A,H17B,H17C), C4(H4A,H4B,H4C), C7(H7A,H7B,
 H7C), C13(H13A,H13B,H13C)
;
_atom_sites_solution_hydrogens   geom
_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
U1 U 0.78605(2) 0.24330(2) 0.45531(2) 0.01576(2) Uani 1 1 d . . . . .
O3 O 0.74843(12) 0.35309(8) 0.47838(8) 0.0217(3) Uani 1 1 d . . . . .
O4 O 0.88540(13) 0.19822(9) 0.54594(9) 0.0245(3) Uani 1 1 d . . . . .
O2 O 0.64149(12) 0.18212(9) 0.43656(9) 0.0255(3) Uani 1 1 d . . . . .
O1 O 0.87927(15) 0.23859(10) 0.37116(10) 0.0329(4) Uani 1 1 d . . . . .
C18 C 0.71239(16) 0.41904(11) 0.50959(11) 0.0190(4) Uani 1 1 d . . . . .
H18 H 0.636146 0.408525 0.517614 0.023 Uiso 1 1 calc R . . . .
C27 C 0.93789(17) 0.16878(11) 0.61375(11) 0.0206(4) Uani 1 1 d . . . . .
H27 H 0.933740 0.208705 0.651037 0.025 Uiso 1 1 calc R . . . .
C23 C 0.78021(18) 0.42840(12) 0.58784(12) 0.0230(4) Uani 1 1 d . . . . .
C19 C 0.70245(19) 0.48132(12) 0.44963(13) 0.0256(4) Uani 1 1 d . . . . .
C9 C 0.54037(18) 0.14426(12) 0.43064(13) 0.0250(4) Uani 1 1 d . . . . .
H9 H 0.545363 0.112952 0.475943 0.030 Uiso 1 1 calc R . . . .
C32 C 0.86707(19) 0.10329(12) 0.63566(12) 0.0248(4) Uani 1 1 d . . . . .
C25 C 0.7676(2) 0.35519(14) 0.62940(14) 0.0346(5) Uani 1 1 d . . . . .
H25A H 0.690453 0.341321 0.623168 0.052 Uiso 1 1 calc GR . . . .
H25B H 0.795516 0.362060 0.681804 0.052 Uiso 1 1 calc GR . . . .
H25C H 0.808965 0.315662 0.609618 0.052 Uiso 1 1 calc GR . . . .
C28 C 1.06109(18) 0.16051(13) 0.60841(13) 0.0280(5) Uani 1 1 d . . . . .
C2 C 0.9390(2) 0.16911(13) 0.27377(15) 0.0314(5) Uani 1 1 d . . . . .
C1 C 0.97087(19) 0.22596(13) 0.33537(13) 0.0277(4) Uani 1 1 d . . . . .
H1 H 1.027036 0.201151 0.372421 0.033 Uiso 1 1 calc R . . . .
C21 C 0.6241(2) 0.45079(15) 0.38349(15) 0.0403(6) Uani 1 1 d . . . . .
H21A H 0.656995 0.407373 0.363442 0.060 Uiso 1 1 calc GR . . . .
H21B H 0.609800 0.489350 0.345545 0.060 Uiso 1 1 calc GR . . . .
H21C H 0.555415 0.436163 0.399248 0.060 Uiso 1 1 calc GR . . . .
C34 C 0.7505(2) 0.13349(15) 0.63116(17) 0.0377(6) Uani 1 1 d . . . . .
H34A H 0.752191 0.180343 0.658554 0.057 Uiso 1 1 calc GR . . . .
H34B H 0.705760 0.097125 0.652473 0.057 Uiso 1 1 calc GR . . . .
H34C H 0.719344 0.142275 0.579577 0.057 Uiso 1 1 calc GR . . . .
C26 C 0.9018(2) 0.44062(15) 0.58747(15) 0.0350(5) Uani 1 1 d . . . . .
H26A H 0.928812 0.402841 0.556467 0.053 Uiso 1 1 calc GR . . . .
H26B H 0.941417 0.436639 0.637779 0.053 Uiso 1 1 calc GR . . . .
H26C H 0.913239 0.490231 0.567937 0.053 Uiso 1 1 calc GR . . . .
C10 C 0.5361(2) 0.08817(16) 0.36531(15) 0.0382(6) Uani 1 1 d . . . . .
C30 C 1.1022(2) 0.23881(16) 0.59471(17) 0.0432(7) Uani 1 1 d . . . . .
H30A H 1.061677 0.258373 0.548658 0.065 Uiso 1 1 calc GR . . . .
H30B H 1.179988 0.236672 0.591197 0.065 Uiso 1 1 calc GR . . . .
H30C H 1.091199 0.271486 0.635499 0.065 Uiso 1 1 calc GR . . . .
C35 C 0.8630(2) 0.03618(14) 0.58479(16) 0.0377(6) Uani 1 1 d . . . . .
H35A H 0.846072 0.052722 0.533535 0.056 Uiso 1 1 calc GR . . . .
H35B H 0.806506 0.001640 0.595408 0.056 Uiso 1 1 calc GR . . . .
H35C H 0.933862 0.010995 0.592688 0.056 Uiso 1 1 calc GR . . . .
C6 C 1.0176(2) 0.30509(14) 0.32146(15) 0.0353(5) Uani 1 1 d . . . . .
C14 C 0.4493(2) 0.20247(14) 0.43652(16) 0.0348(5) Uani 1 1 d . . . . .
C12 C 0.6271(3) 0.03132(16) 0.38890(19) 0.0491(8) Uani 1 1 d . . . . .
H12A H 0.697392 0.057113 0.398960 0.074 Uiso 1 1 calc GR . . . .
H12B H 0.628637 -0.004989 0.349371 0.074 Uiso 1 1 calc GR . . . .
H12C H 0.613449 0.005538 0.433434 0.074 Uiso 1 1 calc GR . . . .
C3 C 0.8846(2) 0.10356(15) 0.30597(19) 0.0451(7) Uani 1 1 d . . . . .
H3A H 0.931417 0.086017 0.350557 0.068 Uiso 1 1 calc GR . . . .
H3B H 0.873147 0.063160 0.269823 0.068 Uiso 1 1 calc GR . . . .
H3C H 0.814156 0.119372 0.318246 0.068 Uiso 1 1 calc GR . . . .
C16 C 0.4280(3) 0.25534(18) 0.3706(2) 0.0567(9) Uani 1 1 d . . . . .
H16A H 0.497373 0.275229 0.360244 0.085 Uiso 1 1 calc GR . . . .
H16B H 0.381429 0.296428 0.381804 0.085 Uiso 1 1 calc GR . . . .
H16C H 0.391398 0.228180 0.327442 0.085 Uiso 1 1 calc GR . . . .
C11 C 0.5562(3) 0.1254(2) 0.29377(16) 0.0540(9) Uani 1 1 d . . . . .
H11A H 0.493689 0.156827 0.274565 0.081 Uiso 1 1 calc GR . . . .
H11B H 0.565652 0.087040 0.257472 0.081 Uiso 1 1 calc GR . . . .
H11C H 0.622108 0.156061 0.303550 0.081 Uiso 1 1 calc GR . . . .
C00S C 0.9347(3) 0.35894(18) 0.28192(19) 0.0549(9) Uani 1 1 d . . . . .
H00A H 0.922216 0.347677 0.229180 0.082 Uiso 1 1 calc GR . . . .
H00B H 0.962160 0.409918 0.289638 0.082 Uiso 1 1 calc GR . . . .
H00C H 0.866051 0.354093 0.301328 0.082 Uiso 1 1 calc GR . . . .
C22 C 0.6515(3) 0.55278(14) 0.47383(16) 0.0435(7) Uani 1 1 d . . . . .
H22A H 0.587850 0.540285 0.496784 0.065 Uiso 1 1 calc GR . . . .
H22B H 0.628754 0.584551 0.430869 0.065 Uiso 1 1 calc GR . . . .
H22C H 0.705099 0.579304 0.509338 0.065 Uiso 1 1 calc GR . . . .
C24 C 0.7350(2) 0.49034(15) 0.63191(14) 0.0362(6) Uani 1 1 d . . . . .
H24A H 0.748263 0.538809 0.610592 0.054 Uiso 1 1 calc GR . . . .
H24B H 0.771418 0.488563 0.683148 0.054 Uiso 1 1 calc GR . . . .
H24C H 0.656437 0.483187 0.630111 0.054 Uiso 1 1 calc GR . . . .
C20 C 0.8106(3) 0.50039(19) 0.42443(19) 0.0499(8) Uani 1 1 d . . . . .
H20A H 0.856544 0.528517 0.463144 0.075 Uiso 1 1 calc GR . . . .
H20B H 0.796609 0.530503 0.379552 0.075 Uiso 1 1 calc GR . . . .
H20C H 0.847940 0.454364 0.414435 0.075 Uiso 1 1 calc GR . . . .
C31 C 1.0813(3) 0.1107(2) 0.5443(2) 0.0552(9) Uani 1 1 d . . . . .
H31A H 1.067156 0.058689 0.555760 0.083 Uiso 1 1 calc GR . . . .
H31B H 1.157200 0.115970 0.536640 0.083 Uiso 1 1 calc GR . . . .
H31C H 1.032524 0.125568 0.499499 0.083 Uiso 1 1 calc GR . . . .
C33 C 0.9039(3) 0.07819(17) 0.71541(15) 0.0437(7) Uani 1 1 d . . . . .
H33A H 0.973954 0.052292 0.719164 0.066 Uiso 1 1 calc GR . . . .
H33B H 0.849299 0.044472 0.730191 0.066 Uiso 1 1 calc GR . . . .
H33C H 0.911931 0.121794 0.747788 0.066 Uiso 1 1 calc GR . . . .
C15 C 0.4889(3) 0.24934(17) 0.5055(2) 0.0517(8) Uani 1 1 d . . . . .
H15A H 0.510337 0.216297 0.547660 0.078 Uiso 1 1 calc GR . . . .
H15B H 0.429956 0.282147 0.515464 0.078 Uiso 1 1 calc GR . . . .
H15C H 0.551638 0.279449 0.497347 0.078 Uiso 1 1 calc GR . . . .
C8 C 1.0584(3) 0.33591(16) 0.39772(17) 0.0451(7) Uani 1 1 d . . . . .
H8A H 0.996994 0.341500 0.424696 0.068 Uiso 1 1 calc GR . . . .
H8B H 1.092579 0.384509 0.393306 0.068 Uiso 1 1 calc GR . . . .
H8C H 1.112030 0.301594 0.424344 0.068 Uiso 1 1 calc GR . . . .
C29 C 1.1289(2) 0.1321(2) 0.67970(19) 0.0549(9) Uani 1 1 d . . . . .
H29A H 1.110849 0.160811 0.721389 0.082 Uiso 1 1 calc GR . . . .
H29B H 1.206579 0.137993 0.677007 0.082 Uiso 1 1 calc GR . . . .
H29C H 1.112745 0.079418 0.686341 0.082 Uiso 1 1 calc GR . . . .
C5 C 1.0348(3) 0.1386(2) 0.2417(2) 0.0695(12) Uani 1 1 d . . . . .
H5A H 1.058914 0.175711 0.208658 0.104 Uiso 1 1 calc GR . . . .
H5B H 1.012855 0.093061 0.214025 0.104 Uiso 1 1 calc GR . . . .
H5C H 1.094792 0.127450 0.281522 0.104 Uiso 1 1 calc GR . . . .
C17 C 0.3423(2) 0.16569(18) 0.4484(2) 0.0580(10) Uani 1 1 d . . . . .
H17A H 0.307842 0.142131 0.402578 0.087 Uiso 1 1 calc GR . . . .
H17B H 0.293240 0.203496 0.463232 0.087 Uiso 1 1 calc GR . . . .
H17C H 0.357336 0.127906 0.487084 0.087 Uiso 1 1 calc GR . . . .
C4 C 0.8540(3) 0.19925(19) 0.21024(18) 0.0547(9) Uani 1 1 d . . . . .
H4A H 0.796547 0.225741 0.230523 0.082 Uiso 1 1 calc GR . . . .
H4B H 0.821859 0.157678 0.179795 0.082 Uiso 1 1 calc GR . . . .
H4C H 0.889579 0.233455 0.180072 0.082 Uiso 1 1 calc GR . . . .
C7 C 1.1164(3) 0.3007(2) 0.2815(2) 0.0628(10) Uani 1 1 d . . . . .
H7A H 1.165729 0.261405 0.303626 0.094 Uiso 1 1 calc GR . . . .
H7B H 1.154880 0.348511 0.285866 0.094 Uiso 1 1 calc GR . . . .
H7C H 1.091986 0.289389 0.229435 0.094 Uiso 1 1 calc GR . . . .
C13 C 0.4280(3) 0.0448(2) 0.3499(2) 0.0705(12) Uani 1 1 d . . . . .
H13A H 0.413487 0.021358 0.395393 0.106 Uiso 1 1 calc GR . . . .
H13B H 0.433144 0.006356 0.312854 0.106 Uiso 1 1 calc GR . . . .
H13C H 0.368499 0.079098 0.331579 0.106 Uiso 1 1 calc GR . . . .


_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
U1 O3 2.0867(14) . ?
U1 O4 2.0762(15) . ?
U1 O2 2.0876(15) . ?
U1 O1 2.0791(16) . ?
O3 C18 1.420(2) . ?
O4 C27 1.416(2) . ?
O2 C9 1.418(2) . ?
O1 C1 1.421(3) . ?
C18 C23 1.559(3) . ?
C18 C19 1.563(3) . ?
C27 C32 1.561(3) . ?
C27 C28 1.557(3) . ?
C23 C25 1.542(3) . ?
C23 C26 1.528(3) . ?
C23 C24 1.536(3) . ?
C19 C21 1.535(3) . ?
C19 C22 1.529(3) . ?
C19 C20 1.529(4) . ?
C9 C10 1.564(3) . ?
C9 C14 1.558(3) . ?
C32 C34 1.536(3) . ?
C32 C35 1.523(3) . ?
C32 C33 1.535(3) . ?
C28 C30 1.531(3) . ?
C28 C31 1.534(4) . ?
C28 C29 1.530(4) . ?
C2 C1 1.531(3) . ?
C2 C3 1.524(4) . ?
C2 C5 1.514(4) . ?
C2 C4 1.544(4) . ?
C1 C6 1.572(3) . ?
C10 C12 1.535(4) . ?
C10 C11 1.533(4) . ?
C10 C13 1.540(4) . ?
C6 C00S 1.513(4) . ?
C6 C8 1.520(4) . ?
C6 C7 1.531(4) . ?
C14 C16 1.532(4) . ?
C14 C15 1.538(4) . ?
C14 C17 1.532(4) . ?

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
O3 U1 O2 108.47(6) . . ?
O4 U1 O3 109.21(6) . . ?
O4 U1 O2 108.27(6) . . ?
O4 U1 O1 104.64(7) . . ?
O1 U1 O3 111.09(6) . . ?
O1 U1 O2 114.97(7) . . ?
C18 O3 U1 165.13(13) . . ?
C27 O4 U1 170.47(14) . . ?
C9 O2 U1 173.87(15) . . ?
C1 O1 U1 159.15(16) . . ?
O3 C18 C23 107.78(16) . . ?
O3 C18 C19 107.82(17) . . ?
C23 C18 C19 123.11(17) . . ?
O4 C27 C32 108.06(17) . . ?
O4 C27 C28 107.43(17) . . ?
C28 C27 C32 123.03(18) . . ?
C25 C23 C18 106.51(18) . . ?
C26 C23 C18 113.64(19) . . ?
C26 C23 C25 107.6(2) . . ?
C26 C23 C24 110.1(2) . . ?
C24 C23 C18 112.17(18) . . ?
C24 C23 C25 106.4(2) . . ?
C21 C19 C18 105.88(18) . . ?
C22 C19 C18 112.7(2) . . ?
C22 C19 C21 106.9(2) . . ?
C22 C19 C20 109.0(2) . . ?
C20 C19 C18 113.61(19) . . ?
C20 C19 C21 108.5(2) . . ?
O2 C9 C10 106.84(19) . . ?
O2 C9 C14 108.51(18) . . ?
C14 C9 C10 123.4(2) . . ?
C34 C32 C27 106.57(18) . . ?
C35 C32 C27 113.76(19) . . ?
C35 C32 C34 107.9(2) . . ?
C35 C32 C33 109.4(2) . . ?
C33 C32 C27 112.0(2) . . ?
C33 C32 C34 106.9(2) . . ?
C30 C28 C27 106.25(19) . . ?
C30 C28 C31 108.0(2) . . ?
C31 C28 C27 112.8(2) . . ?
C29 C28 C27 113.0(2) . . ?
C29 C28 C30 107.2(2) . . ?
C29 C28 C31 109.3(3) . . ?
C1 C2 C4 113.1(2) . . ?
C3 C2 C1 107.8(2) . . ?
C3 C2 C4 105.9(2) . . ?
C5 C2 C1 113.8(2) . . ?
C5 C2 C3 107.3(2) . . ?
C5 C2 C4 108.5(3) . . ?
O1 C1 C2 108.54(19) . . ?
O1 C1 C6 105.96(19) . . ?
C2 C1 C6 122.8(2) . . ?
C12 C10 C9 106.1(2) . . ?
C12 C10 C13 107.3(3) . . ?
C11 C10 C9 112.9(2) . . ?
C11 C10 C12 108.6(3) . . ?
C11 C10 C13 108.6(3) . . ?
C13 C10 C9 113.0(2) . . ?
C00S C6 C1 114.6(2) . . ?
C00S C6 C8 108.3(3) . . ?
C00S C6 C7 109.8(3) . . ?
C8 C6 C1 104.9(2) . . ?
C8 C6 C7 106.7(3) . . ?
C7 C6 C1 112.2(2) . . ?
C16 C14 C9 113.4(2) . . ?
C16 C14 C15 107.9(3) . . ?
C16 C14 C17 109.7(2) . . ?
C15 C14 C9 106.5(2) . . ?
C17 C14 C9 112.2(2) . . ?
C17 C14 C15 106.8(3) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
