# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
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# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
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data_20230829_0816_1_prome_0m
_database_code_depnum_ccdc_archive 'CCDC 2323639'
loop_
_audit_author_name
_audit_author_address
'You-Song Ding'
; Southern University of Science and Technology
China
;
_audit_update_record             
;
2024-01-05 deposited with the CCDC.	2024-03-06 downloaded from the CCDC.
;
_audit_creation_date             2023-08-30
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C84 H72 N2 O6 Pr Si4, 2(C7 H8)'
_chemical_formula_sum            'C98 H88 N2 O6 Pr Si4'
_chemical_formula_weight         1642.97
_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'
N N 0.0061 0.0033 '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'
Pr Pr -0.2180 2.8214 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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                   19.0038(11)
_cell_length_b                   18.2175(9)
_cell_length_c                   24.5942(12)
_cell_angle_alpha                90
_cell_angle_beta                 102.266(2)
_cell_angle_gamma                90
_cell_volume                     8320.2(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9959
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      27.52
_cell_measurement_theta_min      2.46
_shelx_estimated_absorpt_T_max   0.986
_shelx_estimated_absorpt_T_min   0.933
_exptl_absorpt_coefficient_mu    0.700
_exptl_absorpt_correction_T_max  0.0949
_exptl_absorpt_correction_T_min  0.0591
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1217 before and 0.0740 after correction.
The Ratio of minimum to maximum transmission is 0.6228.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dark red'
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.312
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3412
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0581
_diffrn_reflns_av_unetI/netI     0.0700
_diffrn_reflns_Laue_measured_fraction_full 0.972
_diffrn_reflns_Laue_measured_fraction_max 0.960
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            47907
_diffrn_reflns_point_group_measured_fraction_full 0.972
_diffrn_reflns_point_group_measured_fraction_max 0.960
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.548
_diffrn_reflns_theta_min         2.206
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13941
_reflns_number_total             18418
_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 (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.714
_refine_diff_density_min         -1.473
_refine_diff_density_rms         0.094
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1004
_refine_ls_number_reflns         18418
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0752
_refine_ls_R_factor_gt           0.0522
_refine_ls_restrained_S_all      1.060
_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)+22.5846P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1071
_refine_ls_wR_factor_ref         0.1179
_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 Aromatic/amide H refined with riding coordinates:
 C4(H4), C6(H6), C8(H8), C16(H16), C20(H20), C24(H24), C26(H26), C28(H28),
 C34(H34), C42(H42), C48(H48), C50(H50), C52(H52), C54(H54), C56(H56), C60(H60),
  C62(H62), C66(H66), C68(H68), C70(H70), C72(H72), C76(H76), C78(H78),
 C80(H80), C82(H82), C84(H84), C86(H86), C88(H88), C90(H90), C92(H92), C94(H94),
  C96(H96), C98(H98), C49(H49), C25(H25), C51(H51), C13(H13), C53(H53),
 C27(H27), C55(H55), C7(H7), C57(H57), C29(H29), C59(H59), C15(H15), C61(H61),
 C31(H31), C63(H63), C2(H2), C33(H33), C67(H67), C69(H69), C35(H35), C71(H71),
 C9(H9), C73(H73), C37(H37), C75(H75), C19(H19), C77(H77), C39(H39), C79(H79),
 C81(H81), C41(H41), C83(H83), C21(H21), C85(H85), C43(H43), C87(H87), C89(H89),
  C91(H91), C23(H23), C93(H93), C47(H47), C95(H95), C3(H3)
2.b Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C), C5(H5A,H5B,H5C), C45(H45A,H45B,H45C), C97(H97A,H97B,H97C)
;
_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
Pr1 Pr 0.24790(2) 0.74797(2) 0.28651(2) 0.01453(6) Uani 1 1 d . . . . .
Si4 Si 0.22010(5) 0.93732(5) 0.32738(4) 0.0170(2) Uani 1 1 d . . . . .
Si3 Si 0.13496(5) 0.75397(6) 0.14535(4) 0.0191(2) Uani 1 1 d . . . . .
Si2 Si 0.43579(5) 0.77234(5) 0.27099(4) 0.0179(2) Uani 1 1 d . . . . .
Si1 Si 0.23720(5) 0.54696(5) 0.30826(4) 0.0181(2) Uani 1 1 d . . . . .
O2 O 0.35608(14) 0.77094(14) 0.28494(11) 0.0227(6) Uani 1 1 d . . . . .
O1 O 0.25386(15) 0.63023(14) 0.29187(11) 0.0231(6) Uani 1 1 d . . . . .
O4 O 0.21577(14) 0.85832(14) 0.29646(11) 0.0213(6) Uani 1 1 d . . . . .
O3 O 0.19810(14) 0.74765(15) 0.20098(10) 0.0239(6) Uani 1 1 d . . . . .
N2 N 0.15303(16) 0.72314(16) 0.34277(12) 0.0167(6) Uani 1 1 d . . . . .
O6 O -0.00008(15) 0.66754(17) 0.43136(12) 0.0322(7) Uani 1 1 d . . . . .
N1 N 0.29036(15) 0.74875(17) 0.39283(12) 0.0184(6) Uani 1 1 d . . . . .
O5 O 0.36358(16) 0.70963(18) 0.56052(11) 0.0341(7) Uani 1 1 d . . . . .
C1 C 0.24619(19) 0.72879(19) 0.42641(15) 0.0176(7) Uani 1 1 d . . . . .
C4 C 0.0844(2) 0.71206(19) 0.31632(15) 0.0193(8) Uani 1 1 d . . . . .
H4 H 0.0731 0.7165 0.2769 0.023 Uiso 1 1 calc R U . . .
C6 C 0.0297(2) 0.6948(2) 0.34229(16) 0.0214(8) Uani 1 1 d . . . . .
H6 H -0.0182 0.6883 0.3217 0.026 Uiso 1 1 calc R U . . .
C8 C 0.35970(18) 0.75940(19) 0.41647(14) 0.0181(7) Uani 1 1 d . . . . .
H8 H 0.3907 0.7759 0.3934 0.022 Uiso 1 1 calc R U . . .
C10 C 0.16924(19) 0.71711(19) 0.39884(15) 0.0176(7) Uani 1 1 d . . . . .
C12 C 0.04499(19) 0.7586(2) 0.16541(14) 0.0194(7) Uani 1 1 d . . . . .
C14 C 0.2987(2) 0.94072(19) 0.38874(15) 0.0189(7) Uani 1 1 d . . . . .
C16 C 0.38971(19) 0.7480(2) 0.47259(15) 0.0218(7) Uani 1 1 d . . . . .
H16 H 0.4396 0.7554 0.4873 0.026 Uiso 1 1 calc R U . . .
C18 C 0.4475(2) 0.8607(2) 0.23504(15) 0.0216(8) Uani 1 1 d . . . . .
C20 C 0.0230(2) 0.8226(2) 0.18796(16) 0.0233(8) Uani 1 1 d . . . . .
H20 H 0.0520 0.8654 0.1899 0.028 Uiso 1 1 calc R U . . .
C22 C 0.50631(19) 0.7635(2) 0.33689(15) 0.0213(8) Uani 1 1 d . . . . .
C24 C 0.5424(2) 0.8246(2) 0.36367(16) 0.0244(8) Uani 1 1 d . . . . .
H24 H 0.5351 0.8712 0.3461 0.029 Uiso 1 1 calc R U . . .
C26 C 0.0006(2) 0.6970(2) 0.16371(16) 0.0252(9) Uani 1 1 d . . . . .
H26 H 0.0141 0.6524 0.1487 0.030 Uiso 1 1 calc R U . . .
C28 C 0.1772(2) 0.6087(2) 0.12475(16) 0.0235(8) Uani 1 1 d . . . . .
H28 H 0.1986 0.6083 0.1633 0.028 Uiso 1 1 calc R U . . .
C30 C 0.14160(19) 0.53368(19) 0.31483(15) 0.0185(7) Uani 1 1 d . . . . .
C32 C 0.1401(2) 0.6711(2) 0.10139(15) 0.0202(8) Uani 1 1 d . . . . .
C34 C 0.0869(2) 0.5380(2) 0.26634(17) 0.0256(8) Uani 1 1 d . . . . .
H34 H 0.0993 0.5482 0.2317 0.031 Uiso 1 1 calc R U . . .
C36 C 0.0463(2) 0.6873(2) 0.39973(16) 0.0230(8) Uani 1 1 d . . . . .
C38 C 0.1340(2) 0.9532(2) 0.35205(15) 0.0194(7) Uani 1 1 d . . . . .
C40 C 0.3438(2) 0.7256(2) 0.50593(15) 0.0227(8) Uani 1 1 d . . . . .
C42 C 0.3692(2) 0.9462(2) 0.38088(17) 0.0231(8) Uani 1 1 d . . . . .
H42 H 0.3774 0.9519 0.3444 0.028 Uiso 1 1 calc R U . . .
C44 C 0.3003(2) 0.5213(2) 0.37528(17) 0.0235(8) Uani 1 1 d . . . . .
C46 C 0.4444(2) 0.6941(2) 0.22350(16) 0.0237(8) Uani 1 1 d . . . . .
C48 C 0.2887(2) 0.9320(2) 0.44328(16) 0.0235(8) Uani 1 1 d . . . . .
H48 H 0.2413 0.9274 0.4497 0.028 Uiso 1 1 calc R U . . .
C50 C 0.5183(2) 0.6964(2) 0.36436(18) 0.0325(10) Uani 1 1 d . . . . .
H50 H 0.4942 0.6538 0.3474 0.039 Uiso 1 1 calc R U . . .
C52 C 0.2704(2) 0.7178(2) 0.48254(16) 0.0237(8) Uani 1 1 d . . . . .
H52 H 0.2376 0.7050 0.5053 0.028 Uiso 1 1 calc R U . . .
C54 C 0.1093(2) 0.6696(2) 0.04418(16) 0.0243(8) Uani 1 1 d . . . . .
H54 H 0.0837 0.7113 0.0271 0.029 Uiso 1 1 calc R U . . .
C56 C 0.2115(2) 0.9981(2) 0.21965(16) 0.0249(8) Uani 1 1 d . . . . .
H56 H 0.1954 0.9506 0.2067 0.030 Uiso 1 1 calc R U . . .
C58 C 0.1491(2) 0.8381(2) 0.10483(15) 0.0225(8) Uani 1 1 d . . . . .
C60 C 0.1835(2) 0.5470(2) 0.09276(17) 0.0265(9) Uani 1 1 d . . . . .
H60 H 0.2089 0.5049 0.1094 0.032 Uiso 1 1 calc R U . . .
C62 C 0.1244(2) 1.0144(2) 0.38372(16) 0.0241(8) Uani 1 1 d . . . . .
H62 H 0.1628 1.0485 0.3942 0.029 Uiso 1 1 calc R U . . .
C64 C 0.2303(2) 1.0115(2) 0.27693(15) 0.0206(8) Uani 1 1 d . . . . .
C66 C 0.3081(2) 0.4910(2) 0.22589(17) 0.0261(9) Uani 1 1 d . . . . .
H66 H 0.3341 0.5358 0.2309 0.031 Uiso 1 1 calc R U . . .
C68 C 0.2188(2) 0.8620(2) 0.10497(17) 0.0283(9) Uani 1 1 d . . . . .
H68 H 0.2583 0.8373 0.1278 0.034 Uiso 1 1 calc R U . . .
C70 C 0.2542(2) 1.0820(2) 0.29401(17) 0.0284(9) Uani 1 1 d . . . . .
H70 H 0.2677 1.0926 0.3327 0.034 Uiso 1 1 calc R U . . .
C72 C 0.1177(2) 0.6994(2) 0.42819(15) 0.0225(8) Uani 1 1 d . . . . .
H72 H 0.1303 0.6952 0.4676 0.027 Uiso 1 1 calc R U . . .
C74 C 0.2532(2) 0.4790(2) 0.25462(16) 0.0223(8) Uani 1 1 d . . . . .
C76 C 0.5131(2) 0.8796(2) 0.22203(17) 0.0266(9) Uani 1 1 d . . . . .
H76 H 0.5541 0.8497 0.2352 0.032 Uiso 1 1 calc R U . . .
C78 C 0.0148(2) 0.5276(2) 0.2685(2) 0.0326(10) Uani 1 1 d . . . . .
H78 H -0.0215 0.5314 0.2354 0.039 Uiso 1 1 calc R U . . .
C80 C -0.0623(2) 0.6991(2) 0.18330(17) 0.0264(9) Uani 1 1 d . . . . .
H80 H -0.0914 0.6565 0.1819 0.032 Uiso 1 1 calc R U . . .
C82 C 0.3891(2) 0.9077(2) 0.21683(18) 0.0301(9) Uani 1 1 d . . . . .
H82 H 0.3440 0.8971 0.2260 0.036 Uiso 1 1 calc R U . . .
C84 C 0.3553(2) 0.5691(2) 0.4004(2) 0.0335(11) Uani 1 1 d . . . . .
H84 H 0.3598 0.6154 0.3837 0.040 Uiso 1 1 calc R U . . .
C86 C 0.3834(2) 0.6728(2) 0.18318(17) 0.0299(9) Uani 1 1 d . . . . .
H86 H 0.3389 0.6973 0.1816 0.036 Uiso 1 1 calc R U . . .
C88 C 0.3473(2) 0.9301(2) 0.48815(16) 0.0286(9) Uani 1 1 d . . . . .
H88 H 0.3397 0.9252 0.5249 0.034 Uiso 1 1 calc R U . . .
C90 C 0.0762(2) 0.9046(2) 0.33757(16) 0.0231(8) Uani 1 1 d . . . . .
H90 H 0.0813 0.8623 0.3161 0.028 Uiso 1 1 calc R U . . .
C92 C 0.2159(2) 1.0535(2) 0.18111(17) 0.0303(9) Uani 1 1 d . . . . .
H92 H 0.2029 1.0434 0.1424 0.036 Uiso 1 1 calc R U . . .
C94 C 0.4277(2) 0.9434(2) 0.42625(18) 0.0277(9) Uani 1 1 d . . . . .
H94 H 0.4753 0.9471 0.4202 0.033 Uiso 1 1 calc R U . . .
C96 C 0.0030(2) 0.9774(2) 0.38522(17) 0.0299(9) Uani 1 1 d . . . . .
H96 H -0.0412 0.9855 0.3965 0.036 Uiso 1 1 calc R U . . .
C98 C 0.1212(2) 0.5189(2) 0.36484(18) 0.0252(8) Uani 1 1 d . . . . .
H98 H 0.1570 0.5165 0.3983 0.030 Uiso 1 1 calc R U . . .
C49 C 0.2393(2) 1.1228(2) 0.19936(18) 0.0318(10) Uani 1 1 d . . . . .
H49 H 0.2420 1.1606 0.1733 0.038 Uiso 1 1 calc R U . . .
C25 C 0.2860(3) 1.1334(2) 0.45145(18) 0.0317(10) Uani 1 1 d . . . . .
H25 H 0.2668 1.1004 0.4745 0.038 Uiso 1 1 calc R U . . .
C51 C 0.5888(2) 0.8186(2) 0.41565(17) 0.0296(9) Uani 1 1 d . . . . .
H51 H 0.6130 0.8608 0.4330 0.036 Uiso 1 1 calc R U . . .
C13 C 0.0600(2) 1.0267(2) 0.40021(16) 0.0275(9) Uani 1 1 d . . . . .
H13 H 0.0546 1.0689 0.4217 0.033 Uiso 1 1 calc R U . . .
C53 C -0.0827(2) 0.7638(2) 0.20502(17) 0.0280(9) Uani 1 1 d . . . . .
H53 H -0.1262 0.7658 0.2182 0.034 Uiso 1 1 calc R U . . .
C27 C 0.3251(2) 0.4381(2) 0.19006(18) 0.0312(9) Uani 1 1 d . . . . .
H27 H 0.3621 0.4476 0.1704 0.037 Uiso 1 1 calc R U . . .
C55 C 0.2161(2) 0.4123(2) 0.24583(19) 0.0300(9) Uani 1 1 d . . . . .
H55 H 0.1782 0.4030 0.2646 0.036 Uiso 1 1 calc R U . . .
C7 C 0.5997(2) 0.7517(3) 0.44173(17) 0.0326(9) Uani 1 1 d . . . . .
H7 H 0.6311 0.7475 0.4772 0.039 Uiso 1 1 calc R U . . .
C57 C 0.5200(2) 0.9413(2) 0.19021(18) 0.0337(10) Uani 1 1 d . . . . .
H57 H 0.5649 0.9525 0.1811 0.040 Uiso 1 1 calc R U . . .
C29 C 0.4171(2) 0.9353(2) 0.47923(18) 0.0296(9) Uani 1 1 d . . . . .
H29 H 0.4571 0.9332 0.5098 0.036 Uiso 1 1 calc R U . . .
C59 C -0.0399(2) 0.8257(2) 0.20763(17) 0.0268(9) Uani 1 1 d . . . . .
H59 H -0.0537 0.8700 0.2228 0.032 Uiso 1 1 calc R U . . .
C15 C 0.2588(3) 1.1369(2) 0.25594(18) 0.0342(10) Uani 1 1 d . . . . .
H15 H 0.2753 1.1844 0.2687 0.041 Uiso 1 1 calc R U . . .
C61 C 0.2973(2) 0.4539(2) 0.40085(18) 0.0310(10) Uani 1 1 d . . . . .
H61 H 0.2613 0.4196 0.3844 0.037 Uiso 1 1 calc R U . . .
C31 C 0.2446(2) 1.1905(2) 0.42457(19) 0.0320(10) Uani 1 1 d . . . . .
H31 H 0.1963 1.1962 0.4287 0.038 Uiso 1 1 calc R U . . .
C63 C 0.2729(2) 1.2388(2) 0.39193(18) 0.0303(9) Uani 1 1 d . . . . .
H63 H 0.2438 1.2778 0.3739 0.036 Uiso 1 1 calc R U . . .
C2 C 0.0118(2) 0.9165(2) 0.35375(18) 0.0297(9) Uani 1 1 d . . . . .
H2 H -0.0267 0.8826 0.3432 0.036 Uiso 1 1 calc R U . . .
C65 C 0.3431(2) 1.2318(2) 0.38488(18) 0.0301(9) Uani 1 1 d . . . . .
C33 C 0.5649(3) 0.6903(2) 0.41605(19) 0.0381(12) Uani 1 1 d . . . . .
H33 H 0.5727 0.6438 0.4338 0.046 Uiso 1 1 calc R U . . .
C67 C 0.0922(2) 0.8771(2) 0.07135(17) 0.0310(10) Uani 1 1 d . . . . .
H67 H 0.0440 0.8629 0.0707 0.037 Uiso 1 1 calc R U . . .
C17 C -0.0717(2) 0.6486(3) 0.40279(19) 0.0321(10) Uani 1 1 d . . . . .
H17A H -0.0695 0.6098 0.3756 0.048 Uiso 1 1 calc R U . . .
H17B H -0.0954 0.6920 0.3835 0.048 Uiso 1 1 calc R U . . .
H17C H -0.0992 0.6311 0.4297 0.048 Uiso 1 1 calc R U . . .
C69 C 0.2891(2) 0.3722(2) 0.18270(19) 0.0334(10) Uani 1 1 d . . . . .
H69 H 0.3020 0.3357 0.1590 0.040 Uiso 1 1 calc R U . . .
C35 C 0.2337(3) 0.3594(2) 0.2102(2) 0.0349(10) Uani 1 1 d . . . . .
H35 H 0.2078 0.3145 0.2047 0.042 Uiso 1 1 calc R U . . .
C71 C 0.1156(2) 0.6081(2) 0.01226(17) 0.0297(9) Uani 1 1 d . . . . .
H71 H 0.0945 0.6080 -0.0264 0.036 Uiso 1 1 calc R U . . .
C9 C 0.5084(3) 0.6562(2) 0.22451(18) 0.0321(10) Uani 1 1 d . . . . .
H9 H 0.5505 0.6693 0.2511 0.039 Uiso 1 1 calc R U . . .
C73 C 0.3840(2) 1.1734(2) 0.41122(18) 0.0321(10) Uani 1 1 d . . . . .
H73 H 0.4319 1.1667 0.4064 0.039 Uiso 1 1 calc R U . . .
C37 C -0.0039(2) 0.5117(2) 0.3185(2) 0.0363(11) Uani 1 1 d . . . . .
H37 H -0.0529 0.5037 0.3198 0.044 Uiso 1 1 calc R U . . .
C75 C 0.3557(2) 1.1253(2) 0.44423(17) 0.0307(9) Uani 1 1 d . . . . .
H75 H 0.3845 1.0861 0.4622 0.037 Uiso 1 1 calc R U . . .
C19 C 0.5118(3) 0.5992(3) 0.1870(2) 0.0409(11) Uani 1 1 d . . . . .
H19 H 0.5557 0.5736 0.1885 0.049 Uiso 1 1 calc R U . . .
C77 C 0.1525(2) 0.5473(2) 0.03652(17) 0.0274(9) Uani 1 1 d . . . . .
H77 H 0.1568 0.5053 0.0145 0.033 Uiso 1 1 calc R U . . .
C39 C -0.2185(3) 0.8201(3) -0.0242(2) 0.0417(12) Uani 1 1 d . . . . .
H39 H -0.2625 0.8436 -0.0407 0.050 Uiso 1 1 calc R U . . .
C79 C -0.0892(2) 0.7521(3) 0.02219(18) 0.0366(10) Uani 1 1 d . . . . .
H79 H -0.0445 0.7295 0.0379 0.044 Uiso 1 1 calc R U . . .
C5 C 0.4392(2) 0.7114(3) 0.58537(17) 0.0358(11) Uani 1 1 d . . . . .
H5A H 0.4651 0.6789 0.5647 0.054 Uiso 1 1 calc R U . . .
H5B H 0.4467 0.6950 0.6241 0.054 Uiso 1 1 calc R U . . .
H5C H 0.4572 0.7617 0.5842 0.054 Uiso 1 1 calc R U . . .
C81 C 0.3872(3) 0.6169(3) 0.14591(19) 0.0392(11) Uani 1 1 d . . . . .
H81 H 0.3455 0.6036 0.1190 0.047 Uiso 1 1 calc R U . . .
C41 C 0.2322(3) 0.9204(2) 0.0728(2) 0.0381(11) Uani 1 1 d . . . . .
H41 H 0.2803 0.9351 0.0734 0.046 Uiso 1 1 calc R U . . .
C83 C -0.1983(2) 0.7579(3) -0.0474(2) 0.0426(12) Uani 1 1 d . . . . .
H83 H -0.2289 0.7378 -0.0796 0.051 Uiso 1 1 calc R U . . .
C21 C -0.1751(3) 0.8500(3) 0.0239(2) 0.0429(12) Uani 1 1 d . . . . .
H21 H -0.1900 0.8931 0.0400 0.051 Uiso 1 1 calc R U . . .
C85 C 0.0494(2) 0.5076(2) 0.3669(2) 0.0331(10) Uani 1 1 d . . . . .
H85 H 0.0368 0.4970 0.4014 0.040 Uiso 1 1 calc R U . . .
C43 C -0.1117(3) 0.8174(3) 0.0473(2) 0.0424(12) Uani 1 1 d . . . . .
H43 H -0.0823 0.8374 0.0801 0.051 Uiso 1 1 calc R U . . .
C87 C 0.3961(3) 0.9699(3) 0.1855(2) 0.0417(12) Uani 1 1 d . . . . .
H87 H 0.3559 1.0013 0.1734 0.050 Uiso 1 1 calc R U . . .
C11 C -0.1329(3) 0.7232(3) -0.0244(2) 0.0398(11) Uani 1 1 d . . . . .
C89 C 0.4609(3) 0.9860(3) 0.1720(2) 0.0413(12) Uani 1 1 d . . . . .
H89 H 0.4652 1.0281 0.1501 0.050 Uiso 1 1 calc R U . . .
C45 C 0.3744(3) 1.2846(3) 0.3491(2) 0.0421(12) Uani 1 1 d . . . . .
H45A H 0.3354 1.3071 0.3217 0.063 Uiso 1 1 calc R U . . .
H45B H 0.4067 1.2580 0.3298 0.063 Uiso 1 1 calc R U . . .
H45C H 0.4015 1.3229 0.3726 0.063 Uiso 1 1 calc R U . . .
C91 C 0.4511(3) 0.5805(3) 0.1477(2) 0.0449(13) Uani 1 1 d . . . . .
H91 H 0.4535 0.5423 0.1218 0.054 Uiso 1 1 calc R U . . .
C23 C 0.1055(3) 0.9362(2) 0.03908(19) 0.0406(12) Uani 1 1 d . . . . .
H23 H 0.0665 0.9619 0.0166 0.049 Uiso 1 1 calc R U . . .
C93 C 0.4033(3) 0.5505(3) 0.4493(2) 0.0456(14) Uani 1 1 d . . . . .
H93 H 0.4404 0.5838 0.4654 0.055 Uiso 1 1 calc R U . . .
C47 C 0.3451(3) 0.4349(3) 0.4498(2) 0.0405(12) Uani 1 1 d . . . . .
H47 H 0.3417 0.3882 0.4663 0.049 Uiso 1 1 calc R U . . .
C95 C 0.1752(3) 0.9573(3) 0.0397(2) 0.0425(12) Uani 1 1 d . . . . .
H95 H 0.1842 0.9973 0.0174 0.051 Uiso 1 1 calc R U . . .
C3 C 0.3975(3) 0.4841(3) 0.4743(2) 0.0456(13) Uani 1 1 d . . . . .
H3 H 0.4295 0.4720 0.5084 0.055 Uiso 1 1 calc R U . . .
C97 C -0.1090(4) 0.6577(3) -0.0514(3) 0.0643(18) Uani 1 1 d . . . . .
H97A H -0.0752 0.6728 -0.0743 0.096 Uiso 1 1 calc R U . . .
H97B H -0.1509 0.6339 -0.0749 0.096 Uiso 1 1 calc R U . . .
H97C H -0.0852 0.6232 -0.0228 0.096 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
Pr1 O2 2.106(3) . ?
Pr1 O1 2.151(3) . ?
Pr1 O4 2.130(3) . ?
Pr1 O3 2.115(2) . ?
Pr1 N2 2.536(3) . ?
Pr1 N1 2.567(3) . ?
Si4 O4 1.622(3) . ?
Si4 C14 1.885(4) . ?
Si4 C38 1.884(4) . ?
Si4 C64 1.872(4) . ?
Si3 O3 1.621(2) . ?
Si3 C12 1.879(4) . ?
Si3 C32 1.871(4) . ?
Si3 C58 1.879(4) . ?
Si2 O2 1.623(3) . ?
Si2 C18 1.872(4) . ?
Si2 C22 1.878(4) . ?
Si2 C46 1.872(4) . ?
Si1 O1 1.618(3) . ?
Si1 C30 1.873(4) . ?
Si1 C44 1.880(4) . ?
Si1 C74 1.880(4) . ?
N2 C4 1.343(4) . ?
N2 C10 1.352(4) . ?
O6 C36 1.343(5) . ?
O6 C17 1.435(5) . ?
N1 C1 1.347(5) . ?
N1 C8 1.337(4) . ?
O5 C40 1.347(4) . ?
O5 C5 1.437(5) . ?
C1 C10 1.491(5) . ?
C1 C52 1.374(5) . ?
C4 H4 0.9500 . ?
C4 C6 1.368(5) . ?
C6 H6 0.9500 . ?
C6 C36 1.387(5) . ?
C8 H8 0.9500 . ?
C8 C16 1.392(5) . ?
C10 C72 1.372(5) . ?
C12 C20 1.393(5) . ?
C12 C26 1.400(5) . ?
C14 C42 1.397(5) . ?
C14 C48 1.403(5) . ?
C16 H16 0.9500 . ?
C16 C40 1.379(6) . ?
C18 C76 1.394(6) . ?
C18 C82 1.400(5) . ?
C20 H20 0.9500 . ?
C20 C59 1.382(6) . ?
C22 C24 1.396(5) . ?
C22 C50 1.392(6) . ?
C24 H24 0.9500 . ?
C24 C51 1.395(5) . ?
C26 H26 0.9500 . ?
C26 C80 1.381(6) . ?
C28 H28 0.9500 . ?
C28 C32 1.396(5) . ?
C28 C60 1.392(5) . ?
C30 C34 1.408(5) . ?
C30 C98 1.393(6) . ?
C32 C54 1.405(5) . ?
C34 H34 0.9500 . ?
C34 C78 1.396(6) . ?
C36 C72 1.406(5) . ?
C38 C62 1.395(5) . ?
C38 C90 1.397(5) . ?
C40 C52 1.399(5) . ?
C42 H42 0.9500 . ?
C42 C94 1.399(5) . ?
C44 C84 1.399(5) . ?
C44 C61 1.387(6) . ?
C46 C86 1.410(5) . ?
C46 C9 1.395(6) . ?
C48 H48 0.9500 . ?
C48 C88 1.392(5) . ?
C50 H50 0.9500 . ?
C50 C33 1.390(6) . ?
C52 H52 0.9500 . ?
C54 H54 0.9500 . ?
C54 C71 1.388(6) . ?
C56 H56 0.9500 . ?
C56 C64 1.399(5) . ?
C56 C92 1.399(6) . ?
C58 C68 1.393(6) . ?
C58 C67 1.404(5) . ?
C60 H60 0.9500 . ?
C60 C77 1.383(6) . ?
C62 H62 0.9500 . ?
C62 C13 1.388(6) . ?
C64 C70 1.398(5) . ?
C66 H66 0.9500 . ?
C66 C74 1.396(6) . ?
C66 C27 1.389(6) . ?
C68 H68 0.9500 . ?
C68 C41 1.381(6) . ?
C70 H70 0.9500 . ?
C70 C15 1.385(6) . ?
C72 H72 0.9500 . ?
C74 C55 1.398(5) . ?
C76 H76 0.9500 . ?
C76 C57 1.391(6) . ?
C78 H78 0.9500 . ?
C78 C37 1.381(7) . ?
C80 H80 0.9500 . ?
C80 C53 1.383(6) . ?
C82 H82 0.9500 . ?
C82 C87 1.392(6) . ?
C84 H84 0.9500 . ?
C84 C93 1.388(6) . ?
C86 H86 0.9500 . ?
C86 C81 1.382(6) . ?
C88 H88 0.9500 . ?
C88 C29 1.392(6) . ?
C90 H90 0.9500 . ?
C90 C2 1.383(6) . ?
C92 H92 0.9500 . ?
C92 C49 1.382(6) . ?
C94 H94 0.9500 . ?
C94 C29 1.368(6) . ?
C96 H96 0.9500 . ?
C96 C13 1.395(6) . ?
C96 C2 1.383(6) . ?
C98 H98 0.9500 . ?
C98 C85 1.390(6) . ?
C49 H49 0.9500 . ?
C49 C15 1.386(6) . ?
C25 H25 0.9500 . ?
C25 C31 1.384(6) . ?
C25 C75 1.382(7) . ?
C51 H51 0.9500 . ?
C51 C7 1.373(6) . ?
C13 H13 0.9500 . ?
C53 H53 0.9500 . ?
C53 C59 1.383(6) . ?
C27 H27 0.9500 . ?
C27 C69 1.375(6) . ?
C55 H55 0.9500 . ?
C55 C35 1.391(6) . ?
C7 H7 0.9500 . ?
C7 C33 1.382(6) . ?
C57 H57 0.9500 . ?
C57 C89 1.383(7) . ?
C29 H29 0.9500 . ?
C59 H59 0.9500 . ?
C15 H15 0.9500 . ?
C61 H61 0.9500 . ?
C61 C47 1.388(6) . ?
C31 H31 0.9500 . ?
C31 C63 1.376(6) . ?
C63 H63 0.9500 . ?
C63 C65 1.388(6) . ?
C2 H2 0.9500 . ?
C65 C73 1.393(6) . ?
C65 C45 1.509(7) . ?
C33 H33 0.9500 . ?
C67 H67 0.9500 . ?
C67 C23 1.391(6) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C69 H69 0.9500 . ?
C69 C35 1.386(7) . ?
C35 H35 0.9500 . ?
C71 H71 0.9500 . ?
C71 C77 1.378(6) . ?
C9 H9 0.9500 . ?
C9 C19 1.400(6) . ?
C73 H73 0.9500 . ?
C73 C75 1.379(6) . ?
C37 H37 0.9500 . ?
C37 C85 1.392(7) . ?
C75 H75 0.9500 . ?
C19 H19 0.9500 . ?
C19 C91 1.380(7) . ?
C77 H77 0.9500 . ?
C39 H39 0.9500 . ?
C39 C83 1.361(8) . ?
C39 C21 1.399(7) . ?
C79 H79 0.9500 . ?
C79 C43 1.446(7) . ?
C79 C11 1.370(6) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C81 H81 0.9500 . ?
C81 C91 1.377(7) . ?
C41 H41 0.9500 . ?
C41 C95 1.383(7) . ?
C83 H83 0.9500 . ?
C83 C11 1.403(7) . ?
C21 H21 0.9500 . ?
C21 C43 1.357(7) . ?
C85 H85 0.9500 . ?
C43 H43 0.9500 . ?
C87 H87 0.9500 . ?
C87 C89 1.374(7) . ?
C11 C97 1.482(7) . ?
C89 H89 0.9500 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C91 H91 0.9500 . ?
C23 H23 0.9500 . ?
C23 C95 1.375(8) . ?
C93 H93 0.9500 . ?
C93 C3 1.373(7) . ?
C47 H47 0.9500 . ?
C47 C3 1.380(7) . ?
C95 H95 0.9500 . ?
C3 H3 0.9500 . ?
C97 H97A 0.9800 . ?
C97 H97B 0.9800 . ?
C97 H97C 0.9800 . ?

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
O2 Pr1 O1 99.22(10) . . ?
O2 Pr1 O4 96.85(10) . . ?
O2 Pr1 O3 102.38(10) . . ?
O2 Pr1 N2 148.80(10) . . ?
O2 Pr1 N1 85.46(10) . . ?
O1 Pr1 N2 79.80(10) . . ?
O1 Pr1 N1 86.68(10) . . ?
O4 Pr1 O1 161.26(11) . . ?
O4 Pr1 N2 81.45(10) . . ?
O4 Pr1 N1 85.04(10) . . ?
O3 Pr1 O1 93.71(10) . . ?
O3 Pr1 O4 92.19(10) . . ?
O3 Pr1 N2 108.81(10) . . ?
O3 Pr1 N1 171.96(10) . . ?
N2 Pr1 N1 63.34(9) . . ?
O4 Si4 C14 110.93(15) . . ?
O4 Si4 C38 109.03(16) . . ?
O4 Si4 C64 109.37(16) . . ?
C38 Si4 C14 109.36(17) . . ?
C64 Si4 C14 109.34(17) . . ?
C64 Si4 C38 108.77(16) . . ?
O3 Si3 C12 109.46(15) . . ?
O3 Si3 C32 108.08(15) . . ?
O3 Si3 C58 109.99(16) . . ?
C32 Si3 C12 110.48(17) . . ?
C32 Si3 C58 108.71(17) . . ?
C58 Si3 C12 110.08(17) . . ?
O2 Si2 C18 108.89(16) . . ?
O2 Si2 C22 110.08(16) . . ?
O2 Si2 C46 109.19(16) . . ?
C18 Si2 C22 110.27(16) . . ?
C46 Si2 C18 108.96(18) . . ?
C46 Si2 C22 109.42(17) . . ?
O1 Si1 C30 112.78(16) . . ?
O1 Si1 C44 109.23(16) . . ?
O1 Si1 C74 111.91(17) . . ?
C30 Si1 C44 110.02(18) . . ?
C30 Si1 C74 106.23(17) . . ?
C74 Si1 C44 106.46(17) . . ?
Si2 O2 Pr1 164.91(16) . . ?
Si1 O1 Pr1 160.02(18) . . ?
Si4 O4 Pr1 154.71(15) . . ?
Si3 O3 Pr1 159.02(18) . . ?
C4 N2 Pr1 119.5(2) . . ?
C4 N2 C10 118.0(3) . . ?
C10 N2 Pr1 122.5(2) . . ?
C36 O6 C17 116.9(3) . . ?
C1 N1 Pr1 121.4(2) . . ?
C8 N1 Pr1 120.8(2) . . ?
C8 N1 C1 117.2(3) . . ?
C40 O5 C5 117.4(3) . . ?
N1 C1 C10 116.0(3) . . ?
N1 C1 C52 122.4(3) . . ?
C52 C1 C10 121.6(3) . . ?
N2 C4 H4 117.8 . . ?
N2 C4 C6 124.4(3) . . ?
C6 C4 H4 117.8 . . ?
C4 C6 H6 121.1 . . ?
C4 C6 C36 117.8(3) . . ?
C36 C6 H6 121.1 . . ?
N1 C8 H8 117.7 . . ?
N1 C8 C16 124.6(3) . . ?
C16 C8 H8 117.7 . . ?
N2 C10 C1 116.2(3) . . ?
N2 C10 C72 121.5(3) . . ?
C72 C10 C1 122.3(3) . . ?
C20 C12 Si3 120.6(3) . . ?
C20 C12 C26 116.9(4) . . ?
C26 C12 Si3 122.2(3) . . ?
C42 C14 Si4 120.8(3) . . ?
C42 C14 C48 117.9(3) . . ?
C48 C14 Si4 121.1(3) . . ?
C8 C16 H16 121.4 . . ?
C40 C16 C8 117.1(3) . . ?
C40 C16 H16 121.4 . . ?
C76 C18 Si2 121.6(3) . . ?
C76 C18 C82 117.5(4) . . ?
C82 C18 Si2 120.8(3) . . ?
C12 C20 H20 119.1 . . ?
C59 C20 C12 121.9(4) . . ?
C59 C20 H20 119.1 . . ?
C24 C22 Si2 121.8(3) . . ?
C50 C22 Si2 120.5(3) . . ?
C50 C22 C24 117.2(3) . . ?
C22 C24 H24 119.3 . . ?
C51 C24 C22 121.4(4) . . ?
C51 C24 H24 119.3 . . ?
C12 C26 H26 119.1 . . ?
C80 C26 C12 121.8(4) . . ?
C80 C26 H26 119.1 . . ?
C32 C28 H28 119.3 . . ?
C60 C28 H28 119.3 . . ?
C60 C28 C32 121.5(4) . . ?
C34 C30 Si1 118.3(3) . . ?
C98 C30 Si1 124.0(3) . . ?
C98 C30 C34 117.7(4) . . ?
C28 C32 Si3 120.2(3) . . ?
C28 C32 C54 117.6(3) . . ?
C54 C32 Si3 122.2(3) . . ?
C30 C34 H34 119.5 . . ?
C78 C34 C30 121.0(4) . . ?
C78 C34 H34 119.5 . . ?
O6 C36 C6 125.5(3) . . ?
O6 C36 C72 115.9(3) . . ?
C6 C36 C72 118.6(4) . . ?
C62 C38 Si4 121.9(3) . . ?
C62 C38 C90 117.4(4) . . ?
C90 C38 Si4 120.7(3) . . ?
O5 C40 C16 125.4(3) . . ?
O5 C40 C52 115.5(4) . . ?
C16 C40 C52 119.1(3) . . ?
C14 C42 H42 119.7 . . ?
C14 C42 C94 120.7(4) . . ?
C94 C42 H42 119.7 . . ?
C84 C44 Si1 120.7(3) . . ?
C61 C44 Si1 122.5(3) . . ?
C61 C44 C84 116.8(4) . . ?
C86 C46 Si2 118.8(3) . . ?
C9 C46 Si2 123.8(3) . . ?
C9 C46 C86 117.4(4) . . ?
C14 C48 H48 119.6 . . ?
C88 C48 C14 120.9(4) . . ?
C88 C48 H48 119.6 . . ?
C22 C50 H50 119.3 . . ?
C33 C50 C22 121.4(4) . . ?
C33 C50 H50 119.3 . . ?
C1 C52 C40 119.4(4) . . ?
C1 C52 H52 120.3 . . ?
C40 C52 H52 120.3 . . ?
C32 C54 H54 119.5 . . ?
C71 C54 C32 121.0(4) . . ?
C71 C54 H54 119.5 . . ?
C64 C56 H56 119.4 . . ?
C92 C56 H56 119.4 . . ?
C92 C56 C64 121.1(4) . . ?
C68 C58 Si3 119.8(3) . . ?
C68 C58 C67 117.2(4) . . ?
C67 C58 Si3 123.0(3) . . ?
C28 C60 H60 120.3 . . ?
C77 C60 C28 119.5(4) . . ?
C77 C60 H60 120.3 . . ?
C38 C62 H62 119.3 . . ?
C13 C62 C38 121.4(4) . . ?
C13 C62 H62 119.3 . . ?
C56 C64 Si4 120.1(3) . . ?
C70 C64 Si4 122.5(3) . . ?
C70 C64 C56 117.4(4) . . ?
C74 C66 H66 119.6 . . ?
C27 C66 H66 119.6 . . ?
C27 C66 C74 120.8(4) . . ?
C58 C68 H68 119.0 . . ?
C41 C68 C58 121.9(4) . . ?
C41 C68 H68 119.0 . . ?
C64 C70 H70 119.2 . . ?
C15 C70 C64 121.6(4) . . ?
C15 C70 H70 119.2 . . ?
C10 C72 C36 119.7(3) . . ?
C10 C72 H72 120.1 . . ?
C36 C72 H72 120.1 . . ?
C66 C74 Si1 120.1(3) . . ?
C66 C74 C55 117.6(4) . . ?
C55 C74 Si1 122.0(3) . . ?
C18 C76 H76 119.2 . . ?
C57 C76 C18 121.6(4) . . ?
C57 C76 H76 119.2 . . ?
C34 C78 H78 119.9 . . ?
C37 C78 C34 120.1(4) . . ?
C37 C78 H78 119.9 . . ?
C26 C80 H80 120.2 . . ?
C26 C80 C53 119.6(4) . . ?
C53 C80 H80 120.2 . . ?
C18 C82 H82 119.6 . . ?
C87 C82 C18 120.9(4) . . ?
C87 C82 H82 119.6 . . ?
C44 C84 H84 119.2 . . ?
C93 C84 C44 121.5(4) . . ?
C93 C84 H84 119.2 . . ?
C46 C86 H86 119.4 . . ?
C81 C86 C46 121.2(4) . . ?
C81 C86 H86 119.4 . . ?
C48 C88 H88 119.9 . . ?
C48 C88 C29 120.1(4) . . ?
C29 C88 H88 119.9 . . ?
C38 C90 H90 119.2 . . ?
C2 C90 C38 121.6(4) . . ?
C2 C90 H90 119.2 . . ?
C56 C92 H92 120.0 . . ?
C49 C92 C56 120.1(4) . . ?
C49 C92 H92 120.0 . . ?
C42 C94 H94 119.6 . . ?
C29 C94 C42 120.7(4) . . ?
C29 C94 H94 119.6 . . ?
C13 C96 H96 120.5 . . ?
C2 C96 H96 120.5 . . ?
C2 C96 C13 119.1(4) . . ?
C30 C98 H98 119.3 . . ?
C85 C98 C30 121.3(4) . . ?
C85 C98 H98 119.3 . . ?
C92 C49 H49 120.2 . . ?
C92 C49 C15 119.6(4) . . ?
C15 C49 H49 120.2 . . ?
C31 C25 H25 120.6 . . ?
C75 C25 H25 120.6 . . ?
C75 C25 C31 118.9(4) . . ?
C24 C51 H51 120.0 . . ?
C7 C51 C24 120.1(4) . . ?
C7 C51 H51 120.0 . . ?
C62 C13 C96 120.1(4) . . ?
C62 C13 H13 119.9 . . ?
C96 C13 H13 119.9 . . ?
C80 C53 H53 119.9 . . ?
C80 C53 C59 120.1(4) . . ?
C59 C53 H53 119.9 . . ?
C66 C27 H27 119.6 . . ?
C69 C27 C66 120.9(4) . . ?
C69 C27 H27 119.6 . . ?
C74 C55 H55 119.3 . . ?
C35 C55 C74 121.3(4) . . ?
C35 C55 H55 119.3 . . ?
C51 C7 H7 120.2 . . ?
C51 C7 C33 119.6(4) . . ?
C33 C7 H7 120.2 . . ?
C76 C57 H57 120.3 . . ?
C89 C57 C76 119.4(4) . . ?
C89 C57 H57 120.3 . . ?
C88 C29 H29 120.2 . . ?
C94 C29 C88 119.7(4) . . ?
C94 C29 H29 120.2 . . ?
C20 C59 C53 119.6(4) . . ?
C20 C59 H59 120.2 . . ?
C53 C59 H59 120.2 . . ?
C70 C15 C49 120.2(4) . . ?
C70 C15 H15 119.9 . . ?
C49 C15 H15 119.9 . . ?
C44 C61 H61 119.0 . . ?
C44 C61 C47 122.0(4) . . ?
C47 C61 H61 119.0 . . ?
C25 C31 H31 119.8 . . ?
C63 C31 C25 120.4(4) . . ?
C63 C31 H31 119.8 . . ?
C31 C63 H63 119.4 . . ?
C31 C63 C65 121.3(4) . . ?
C65 C63 H63 119.4 . . ?
C90 C2 H2 119.8 . . ?
C96 C2 C90 120.4(4) . . ?
C96 C2 H2 119.8 . . ?
C63 C65 C73 118.0(4) . . ?
C63 C65 C45 121.5(4) . . ?
C73 C65 C45 120.5(4) . . ?
C50 C33 H33 119.9 . . ?
C7 C33 C50 120.2(4) . . ?
C7 C33 H33 119.9 . . ?
C58 C67 H67 119.5 . . ?
C23 C67 C58 121.0(4) . . ?
C23 C67 H67 119.5 . . ?
O6 C17 H17A 109.5 . . ?
O6 C17 H17B 109.5 . . ?
O6 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C27 C69 H69 120.3 . . ?
C27 C69 C35 119.4(4) . . ?
C35 C69 H69 120.3 . . ?
C55 C35 H35 120.0 . . ?
C69 C35 C55 120.0(4) . . ?
C69 C35 H35 120.0 . . ?
C54 C71 H71 119.9 . . ?
C77 C71 C54 120.1(4) . . ?
C77 C71 H71 119.9 . . ?
C46 C9 H9 119.4 . . ?
C46 C9 C19 121.1(4) . . ?
C19 C9 H9 119.4 . . ?
C65 C73 H73 119.7 . . ?
C75 C73 C65 120.7(4) . . ?
C75 C73 H73 119.7 . . ?
C78 C37 H37 120.2 . . ?
C78 C37 C85 119.6(4) . . ?
C85 C37 H37 120.2 . . ?
C25 C75 H75 119.6 . . ?
C73 C75 C25 120.8(4) . . ?
C73 C75 H75 119.6 . . ?
C9 C19 H19 120.1 . . ?
C91 C19 C9 119.8(5) . . ?
C91 C19 H19 120.1 . . ?
C60 C77 H77 119.8 . . ?
C71 C77 C60 120.4(4) . . ?
C71 C77 H77 119.8 . . ?
C83 C39 H39 119.7 . . ?
C83 C39 C21 120.6(5) . . ?
C21 C39 H39 119.7 . . ?
C43 C79 H79 120.2 . . ?
C11 C79 H79 120.2 . . ?
C11 C79 C43 119.5(4) . . ?
O5 C5 H5A 109.5 . . ?
O5 C5 H5B 109.5 . . ?
O5 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C86 C81 H81 119.9 . . ?
C91 C81 C86 120.2(4) . . ?
C91 C81 H81 119.9 . . ?
C68 C41 H41 120.1 . . ?
C68 C41 C95 119.7(5) . . ?
C95 C41 H41 120.1 . . ?
C39 C83 H83 119.6 . . ?
C39 C83 C11 120.7(5) . . ?
C11 C83 H83 119.6 . . ?
C39 C21 H21 120.0 . . ?
C43 C21 C39 120.1(5) . . ?
C43 C21 H21 120.0 . . ?
C98 C85 C37 120.2(4) . . ?
C98 C85 H85 119.9 . . ?
C37 C85 H85 119.9 . . ?
C79 C43 H43 120.2 . . ?
C21 C43 C79 119.6(4) . . ?
C21 C43 H43 120.2 . . ?
C82 C87 H87 119.9 . . ?
C89 C87 C82 120.2(4) . . ?
C89 C87 H87 119.9 . . ?
C79 C11 C83 119.5(5) . . ?
C79 C11 C97 119.7(5) . . ?
C83 C11 C97 120.8(5) . . ?
C57 C89 H89 119.9 . . ?
C87 C89 C57 120.3(4) . . ?
C87 C89 H89 119.9 . . ?
C65 C45 H45A 109.5 . . ?
C65 C45 H45B 109.5 . . ?
C65 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C19 C91 H91 119.9 . . ?
C81 C91 C19 120.2(4) . . ?
C81 C91 H91 119.9 . . ?
C67 C23 H23 120.0 . . ?
C95 C23 C67 120.1(4) . . ?
C95 C23 H23 120.0 . . ?
C84 C93 H93 119.9 . . ?
C3 C93 C84 120.2(4) . . ?
C3 C93 H93 119.9 . . ?
C61 C47 H47 120.1 . . ?
C3 C47 C61 119.8(4) . . ?
C3 C47 H47 120.1 . . ?
C41 C95 H95 119.9 . . ?
C23 C95 C41 120.1(4) . . ?
C23 C95 H95 119.9 . . ?
C93 C3 C47 119.7(4) . . ?
C93 C3 H3 120.1 . . ?
C47 C3 H3 120.1 . . ?
C11 C97 H97A 109.5 . . ?
C11 C97 H97B 109.5 . . ?
C11 C97 H97C 109.5 . . ?
H97A C97 H97B 109.5 . . ?
H97A C97 H97C 109.5 . . ?
H97B C97 H97C 109.5 . . ?

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
Pr1 N2 C4 C6 176.8(3) . . . . ?
Pr1 N2 C10 C1 2.3(4) . . . . ?
Pr1 N2 C10 C72 -176.1(3) . . . . ?
Pr1 N1 C1 C10 -8.6(4) . . . . ?
Pr1 N1 C1 C52 169.7(3) . . . . ?
Pr1 N1 C8 C16 -168.2(3) . . . . ?
Si4 C14 C42 C94 -175.3(3) . . . . ?
Si4 C14 C48 C88 176.0(3) . . . . ?
Si4 C38 C62 C13 178.0(3) . . . . ?
Si4 C38 C90 C2 -177.9(3) . . . . ?
Si4 C64 C70 C15 -177.5(4) . . . . ?
Si3 C12 C20 C59 -174.2(3) . . . . ?
Si3 C12 C26 C80 173.9(3) . . . . ?
Si3 C32 C54 C71 178.1(3) . . . . ?
Si3 C58 C68 C41 175.4(3) . . . . ?
Si3 C58 C67 C23 -175.6(3) . . . . ?
Si2 C18 C76 C57 173.1(3) . . . . ?
Si2 C18 C82 C87 -173.8(3) . . . . ?
Si2 C22 C24 C51 172.9(3) . . . . ?
Si2 C22 C50 C33 -173.3(4) . . . . ?
Si2 C46 C86 C81 178.0(4) . . . . ?
Si2 C46 C9 C19 -178.4(4) . . . . ?
Si1 C30 C34 C78 179.1(3) . . . . ?
Si1 C30 C98 C85 -178.2(3) . . . . ?
Si1 C44 C84 C93 -178.7(4) . . . . ?
Si1 C44 C61 C47 178.7(4) . . . . ?
Si1 C74 C55 C35 -173.3(3) . . . . ?
O2 Si2 C18 C76 174.8(3) . . . . ?
O2 Si2 C18 C82 -9.7(4) . . . . ?
O2 Si2 C22 C24 -98.5(4) . . . . ?
O2 Si2 C22 C50 73.8(4) . . . . ?
O2 Si2 C46 C86 35.0(4) . . . . ?
O2 Si2 C46 C9 -146.7(4) . . . . ?
O1 Si1 C30 C34 68.4(3) . . . . ?
O1 Si1 C30 C98 -112.4(3) . . . . ?
O1 Si1 C44 C84 -5.2(4) . . . . ?
O1 Si1 C44 C61 177.7(4) . . . . ?
O1 Si1 C74 C66 33.8(3) . . . . ?
O1 Si1 C74 C55 -152.4(3) . . . . ?
O4 Si4 C14 C42 73.4(3) . . . . ?
O4 Si4 C14 C48 -101.5(3) . . . . ?
O4 Si4 C38 C62 175.3(3) . . . . ?
O4 Si4 C38 C90 -6.8(3) . . . . ?
O4 Si4 C64 C56 19.4(4) . . . . ?
O4 Si4 C64 C70 -162.6(3) . . . . ?
O3 Si3 C12 C20 74.6(3) . . . . ?
O3 Si3 C12 C26 -99.0(3) . . . . ?
O3 Si3 C32 C28 18.3(4) . . . . ?
O3 Si3 C32 C54 -159.8(3) . . . . ?
O3 Si3 C58 C68 33.2(4) . . . . ?
O3 Si3 C58 C67 -150.2(3) . . . . ?
N2 C4 C6 C36 -1.0(6) . . . . ?
N2 C10 C72 C36 -0.2(6) . . . . ?
O6 C36 C72 C10 177.7(3) . . . . ?
N1 C1 C10 N2 4.1(5) . . . . ?
N1 C1 C10 C72 -177.5(3) . . . . ?
N1 C1 C52 C40 -1.7(6) . . . . ?
N1 C8 C16 C40 -1.3(6) . . . . ?
O5 C40 C52 C1 -176.2(4) . . . . ?
C1 N1 C8 C16 3.1(5) . . . . ?
C1 C10 C72 C36 -178.5(3) . . . . ?
C4 N2 C10 C1 179.2(3) . . . . ?
C4 N2 C10 C72 0.8(5) . . . . ?
C4 C6 C36 O6 -177.0(4) . . . . ?
C4 C6 C36 C72 1.5(5) . . . . ?
C6 C36 C72 C10 -1.0(6) . . . . ?
C8 N1 C1 C10 -179.8(3) . . . . ?
C8 N1 C1 C52 -1.5(5) . . . . ?
C8 C16 C40 O5 177.6(4) . . . . ?
C8 C16 C40 C52 -2.0(6) . . . . ?
C10 N2 C4 C6 -0.2(5) . . . . ?
C10 C1 C52 C40 176.5(4) . . . . ?
C12 Si3 O3 Pr1 -9.9(5) . . . . ?
C12 Si3 C32 C28 -101.4(3) . . . . ?
C12 Si3 C32 C54 80.4(4) . . . . ?
C12 Si3 C58 C68 153.9(3) . . . . ?
C12 Si3 C58 C67 -29.5(4) . . . . ?
C12 C20 C59 C53 -0.1(6) . . . . ?
C12 C26 C80 C53 0.3(6) . . . . ?
C14 Si4 O4 Pr1 4.6(5) . . . . ?
C14 Si4 C38 C62 53.8(3) . . . . ?
C14 Si4 C38 C90 -128.2(3) . . . . ?
C14 Si4 C64 C56 141.1(3) . . . . ?
C14 Si4 C64 C70 -41.0(4) . . . . ?
C14 C42 C94 C29 -0.1(6) . . . . ?
C14 C48 C88 C29 -1.4(6) . . . . ?
C16 C40 C52 C1 3.4(6) . . . . ?
C18 Si2 O2 Pr1 109.4(6) . . . . ?
C18 Si2 C22 C24 21.6(4) . . . . ?
C18 Si2 C22 C50 -166.1(4) . . . . ?
C18 Si2 C46 C86 -83.8(4) . . . . ?
C18 Si2 C46 C9 94.5(4) . . . . ?
C18 C76 C57 C89 1.5(6) . . . . ?
C18 C82 C87 C89 -0.1(7) . . . . ?
C20 C12 C26 C80 0.1(5) . . . . ?
C22 Si2 O2 Pr1 -129.6(6) . . . . ?
C22 Si2 C18 C76 53.9(4) . . . . ?
C22 Si2 C18 C82 -130.5(3) . . . . ?
C22 Si2 C46 C86 155.5(3) . . . . ?
C22 Si2 C46 C9 -26.2(4) . . . . ?
C22 C24 C51 C7 -0.3(7) . . . . ?
C22 C50 C33 C7 0.8(8) . . . . ?
C24 C22 C50 C33 -0.6(7) . . . . ?
C24 C51 C7 C33 0.5(7) . . . . ?
C26 C12 C20 C59 -0.3(5) . . . . ?
C26 C80 C53 C59 -0.7(6) . . . . ?
C28 C32 C54 C71 0.0(6) . . . . ?
C28 C60 C77 C71 -0.1(6) . . . . ?
C30 Si1 O1 Pr1 31.3(5) . . . . ?
C30 Si1 C44 C84 -129.5(4) . . . . ?
C30 Si1 C44 C61 53.4(4) . . . . ?
C30 Si1 C74 C66 157.3(3) . . . . ?
C30 Si1 C74 C55 -28.9(4) . . . . ?
C30 C34 C78 C37 -0.9(6) . . . . ?
C30 C98 C85 C37 -0.8(6) . . . . ?
C32 Si3 O3 Pr1 -130.2(5) . . . . ?
C32 Si3 C12 C20 -166.5(3) . . . . ?
C32 Si3 C12 C26 19.9(3) . . . . ?
C32 Si3 C58 C68 -84.9(3) . . . . ?
C32 Si3 C58 C67 91.6(4) . . . . ?
C32 C28 C60 C77 0.1(6) . . . . ?
C32 C54 C71 C77 0.1(7) . . . . ?
C34 C30 C98 C85 1.1(5) . . . . ?
C34 C78 C37 C85 1.2(6) . . . . ?
C38 Si4 O4 Pr1 -115.9(4) . . . . ?
C38 Si4 C14 C42 -166.3(3) . . . . ?
C38 Si4 C14 C48 18.8(3) . . . . ?
C38 Si4 C64 C56 -99.6(3) . . . . ?
C38 Si4 C64 C70 78.4(4) . . . . ?
C38 C62 C13 C96 0.1(6) . . . . ?
C38 C90 C2 C96 -0.3(6) . . . . ?
C42 C14 C48 C88 1.0(5) . . . . ?
C42 C94 C29 C88 -0.3(6) . . . . ?
C44 Si1 O1 Pr1 -91.4(5) . . . . ?
C44 Si1 C30 C34 -169.4(3) . . . . ?
C44 Si1 C30 C98 9.9(4) . . . . ?
C44 Si1 C74 C66 -85.4(3) . . . . ?
C44 Si1 C74 C55 88.3(3) . . . . ?
C44 C84 C93 C3 -0.3(8) . . . . ?
C44 C61 C47 C3 0.1(8) . . . . ?
C46 Si2 O2 Pr1 -9.5(7) . . . . ?
C46 Si2 C18 C76 -66.2(3) . . . . ?
C46 Si2 C18 C82 109.3(3) . . . . ?
C46 Si2 C22 C24 141.5(3) . . . . ?
C46 Si2 C22 C50 -46.2(4) . . . . ?
C46 C86 C81 C91 0.3(7) . . . . ?
C46 C9 C19 C91 0.8(7) . . . . ?
C48 C14 C42 C94 -0.2(5) . . . . ?
C48 C88 C29 C94 1.0(6) . . . . ?
C50 C22 C24 C51 0.4(6) . . . . ?
C52 C1 C10 N2 -174.2(3) . . . . ?
C52 C1 C10 C72 4.2(6) . . . . ?
C54 C71 C77 C60 0.0(7) . . . . ?
C56 C64 C70 C15 0.5(6) . . . . ?
C56 C92 C49 C15 0.5(7) . . . . ?
C58 Si3 O3 Pr1 111.2(5) . . . . ?
C58 Si3 C12 C20 -46.4(3) . . . . ?
C58 Si3 C12 C26 140.0(3) . . . . ?
C58 Si3 C32 C28 137.7(3) . . . . ?
C58 Si3 C32 C54 -40.5(4) . . . . ?
C58 C68 C41 C95 0.6(7) . . . . ?
C58 C67 C23 C95 -0.1(7) . . . . ?
C60 C28 C32 Si3 -178.3(3) . . . . ?
C60 C28 C32 C54 -0.1(6) . . . . ?
C62 C38 C90 C2 0.2(5) . . . . ?
C64 Si4 O4 Pr1 125.3(4) . . . . ?
C64 Si4 C14 C42 -47.3(3) . . . . ?
C64 Si4 C14 C48 137.8(3) . . . . ?
C64 Si4 C38 C62 -65.5(3) . . . . ?
C64 Si4 C38 C90 112.4(3) . . . . ?
C64 C56 C92 C49 0.0(6) . . . . ?
C64 C70 C15 C49 0.1(7) . . . . ?
C66 C74 C55 C35 0.6(6) . . . . ?
C66 C27 C69 C35 1.9(6) . . . . ?
C68 C58 C67 C23 1.1(6) . . . . ?
C68 C41 C95 C23 0.4(7) . . . . ?
C74 Si1 O1 Pr1 151.0(4) . . . . ?
C74 Si1 C30 C34 -54.6(3) . . . . ?
C74 Si1 C30 C98 124.7(3) . . . . ?
C74 Si1 C44 C84 115.8(4) . . . . ?
C74 Si1 C44 C61 -61.3(4) . . . . ?
C74 C66 C27 C69 -1.1(6) . . . . ?
C74 C55 C35 C69 0.2(7) . . . . ?
C76 C18 C82 C87 1.9(6) . . . . ?
C76 C57 C89 C87 0.3(7) . . . . ?
C78 C37 C85 C98 -0.4(6) . . . . ?
C80 C53 C59 C20 0.6(6) . . . . ?
C82 C18 C76 C57 -2.6(6) . . . . ?
C82 C87 C89 C57 -1.0(7) . . . . ?
C84 C44 C61 C47 1.5(7) . . . . ?
C84 C93 C3 C47 2.0(9) . . . . ?
C86 C46 C9 C19 -0.1(7) . . . . ?
C86 C81 C91 C19 0.4(8) . . . . ?
C90 C38 C62 C13 -0.1(5) . . . . ?
C92 C56 C64 Si4 177.5(3) . . . . ?
C92 C56 C64 C70 -0.5(6) . . . . ?
C92 C49 C15 C70 -0.6(7) . . . . ?
C98 C30 C34 C78 -0.3(5) . . . . ?
C25 C31 C63 C65 0.2(6) . . . . ?
C51 C7 C33 C50 -0.7(8) . . . . ?
C13 C96 C2 C90 0.3(6) . . . . ?
C27 C66 C74 Si1 173.8(3) . . . . ?
C27 C66 C74 C55 -0.2(6) . . . . ?
C27 C69 C35 C55 -1.5(7) . . . . ?
C61 C44 C84 C93 -1.4(7) . . . . ?
C61 C47 C3 C93 -1.9(9) . . . . ?
C31 C25 C75 C73 0.6(6) . . . . ?
C31 C63 C65 C73 1.0(6) . . . . ?
C31 C63 C65 C45 179.9(4) . . . . ?
C63 C65 C73 C75 -1.4(6) . . . . ?
C2 C96 C13 C62 -0.2(6) . . . . ?
C65 C73 C75 C25 0.7(6) . . . . ?
C67 C58 C68 C41 -1.4(6) . . . . ?
C67 C23 C95 C41 -0.6(7) . . . . ?
C17 O6 C36 C6 3.9(6) . . . . ?
C17 O6 C36 C72 -174.7(4) . . . . ?
C9 C46 C86 C81 -0.4(6) . . . . ?
C9 C19 C91 C81 -0.9(8) . . . . ?
C75 C25 C31 C63 -1.0(6) . . . . ?
C39 C83 C11 C79 0.4(7) . . . . ?
C39 C83 C11 C97 -176.7(5) . . . . ?
C39 C21 C43 C79 0.4(7) . . . . ?
C5 O5 C40 C16 -4.3(6) . . . . ?
C5 O5 C40 C52 175.3(4) . . . . ?
C83 C39 C21 C43 0.9(8) . . . . ?
C21 C39 C83 C11 -1.3(8) . . . . ?
C43 C79 C11 C83 0.9(7) . . . . ?
C43 C79 C11 C97 178.0(5) . . . . ?
C11 C79 C43 C21 -1.3(7) . . . . ?
C45 C65 C73 C75 179.6(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_20230110_prph3_0m
_database_code_depnum_ccdc_archive 'CCDC 2323641'
loop_
_audit_author_name
_audit_author_address
'Tianjiao Xue'
;Southern University of Science and Technology
China
;
_audit_update_record             
;
2024-01-05 deposited with the CCDC.	2024-03-06 downloaded from the CCDC.
;
_audit_creation_date             2024-01-02
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C66 H69 O6 Pr Si3, C4 H8 O'
_chemical_formula_sum            'C70 H77 O7 Pr Si3'
_chemical_formula_weight         1255.49
_chemical_absolute_configuration .
_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'
Pr Pr -0.2180 2.8214 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   14.6493(5)
_cell_length_b                   16.2996(5)
_cell_length_c                   14.6770(5)
_cell_angle_alpha                90
_cell_angle_beta                 115.0839(13)
_cell_angle_gamma                90
_cell_volume                     3174.02(18)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9569
_cell_measurement_temperature    100.01
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      2.59
_shelx_estimated_absorpt_T_max   0.957
_shelx_estimated_absorpt_T_min   0.957
_exptl_absorpt_coefficient_mu    0.877
_exptl_absorpt_correction_T_max  0.0949
_exptl_absorpt_correction_T_min  0.0572
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1443 before and 0.0844 after correction.
The Ratio of minimum to maximum transmission is 0.6027.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light green'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.314
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1308
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0571
_diffrn_reflns_av_unetI/netI     0.0787
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            35982
_diffrn_reflns_point_group_measured_fraction_full 0.971
_diffrn_reflns_point_group_measured_fraction_max 0.964
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.519
_diffrn_reflns_theta_min         2.499
_diffrn_ambient_temperature      100.01
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.864
_reflns_Friedel_fraction_full    0.942
_reflns_Friedel_fraction_max     0.927
_reflns_number_gt                12511
_reflns_number_total             14102
_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 (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'XS  (Sheldrick, 2008)'
_refine_diff_density_max         1.482
_refine_diff_density_min         -1.434
_refine_diff_density_rms         0.091
_refine_ls_abs_structure_details 
;
 Flack x determined using 5182 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.012(7)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     706
_refine_ls_number_reflns         14102
_refine_ls_number_restraints     38
_refine_ls_R_factor_all          0.0533
_refine_ls_R_factor_gt           0.0447
_refine_ls_restrained_S_all      1.051
_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)+(0.0389P)²+2.2198P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1052
_refine_ls_wR_factor_ref         0.1111
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Rigid bond restraints
 C32, O5
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
3. Uiso/Uaniso restraints and constraints
Uanis(C26) \\sim Ueq, Uanis(C58) \\sim Ueq, Uanis(C39) \\sim Ueq, Uanis(C41)
\\sim Ueq, Uanis(C29) \\sim Ueq, Uanis(C59) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.01
Uanis(C29) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.005
4.a Secondary CH2 refined with riding coordinates:
 C26(H26A,H26B), C28(H28A,H28B), C30(H30A,H30B), C32(H32A,H32B), C58(H58A,
 H58B), C60(H60A,H60B), C68(H68A,H68B), C9(H9A,H9B), C37(H37A,H37B), C19(H19A,
 H19B), C41(H41A,H41B), C29(H29A,H29B), C15(H15A,H15B), C61(H61A,H61B),
 C31(H31A,H31B), C63(H63A,H63B)
4.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C6(H6), C8(H8), C10(H10), C12(H12), C16(H16), C18(H18), C20(H20),
 C22(H22), C24(H24), C36(H36), C40(H40), C44(H44), C46(H46), C50(H50), C52(H52),
  C54(H54), C56(H56), C62(H62), C64(H64), C66(H66), C70(H70), C35(H35),
 C39(H39), C5(H5), C21(H21), C43(H43), C11(H11), C23(H23), C47(H47), C3(H3),
 C49(H49), C51(H51), C13(H13), C53(H53), C27(H27), C55(H55), C7(H7), C57(H57),
 C59(H59), C65(H65), C33(H33), C67(H67), C17(H17), C69(H69)
4.c Fitted hexagon refined as free rotating group:
 C8(C10,C12,C14,C16,C18), C47(C3,C49,C25,C51,C13)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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
Pr1 Pr -0.28853(2) -0.37943(2) -0.68689(2) 0.02604(9) Uani 1 1 d . . . . .
Si2 Si -0.54681(13) -0.45442(10) -0.71968(13) 0.0293(3) Uani 1 1 d . . . . .
Si3 Si -0.13845(14) -0.47556(10) -0.42969(13) 0.0286(3) Uani 1 1 d . . . . .
O3 O -0.1948(4) -0.4264(3) -0.5325(3) 0.0334(10) Uani 1 1 d . . . . .
O2 O -0.4406(3) -0.4197(3) -0.7092(4) 0.0364(10) Uani 1 1 d . . . . .
C1 C -0.4889(6) -0.3924(5) -0.4236(5) 0.0458(19) Uani 1 1 d . . . . .
H1 H -0.431463 -0.376541 -0.364893 0.055 Uiso 1 1 calc R U . . .
C4 C -0.5619(5) -0.4350(4) -0.5991(5) 0.0298(12) Uani 1 1 d . . . . .
C6 C -0.5824(7) -0.3969(4) -0.4220(5) 0.046(2) Uani 1 1 d . . . . .
H6 H -0.589322 -0.383116 -0.362343 0.056 Uiso 1 1 calc R U . . .
C8 C -0.5757(4) -0.7349(2) -0.7953(5) 0.053(2) Uani 1 1 d G . . . .
H8 H -0.580905 -0.791941 -0.810150 0.063 Uiso 1 1 calc R U . . .
C10 C -0.6528(4) -0.6950(3) -0.7817(5) 0.059(2) Uani 1 1 d G . . . .
H10 H -0.710757 -0.724686 -0.787241 0.071 Uiso 1 1 calc R U . . .
C12 C -0.6452(3) -0.6116(3) -0.7600(4) 0.0477(19) Uani 1 1 d G . . . .
H12 H -0.697921 -0.584280 -0.750658 0.057 Uiso 1 1 calc R U . . .
C14 C -0.5604(4) -0.5681(2) -0.7518(4) 0.0363(14) Uani 1 1 d G . . . .
C16 C -0.4833(3) -0.6081(3) -0.7654(4) 0.0461(18) Uani 1 1 d G . . . .
H16 H -0.425379 -0.578381 -0.759891 0.055 Uiso 1 1 calc R U . . .
C18 C -0.4909(4) -0.6915(3) -0.7872(4) 0.053(2) Uani 1 1 d G . . . .
H18 H -0.438214 -0.718787 -0.796474 0.064 Uiso 1 1 calc R U . . .
C20 C -0.6551(6) -0.4400(4) -0.5949(6) 0.0402(15) Uani 1 1 d . . . . .
H20 H -0.712716 -0.456275 -0.653198 0.048 Uiso 1 1 calc R U . . .
C22 C -0.4792(6) -0.4111(4) -0.5120(5) 0.0367(14) Uani 1 1 d . . . . .
H22 H -0.414804 -0.407544 -0.512618 0.044 Uiso 1 1 calc R U . . .
C24 C -0.6655(6) -0.4213(5) -0.5063(6) 0.0439(17) Uani 1 1 d . . . . .
H24 H -0.729396 -0.425505 -0.504602 0.053 Uiso 1 1 calc R U . . .
O5 O -0.1329(4) -0.2995(3) -0.6748(4) 0.0366(10) Uani 1 1 d . U . . .
C26 C -0.0183(12) -0.2445(10) -0.5422(11) 0.104(5) Uani 1 1 d . U . . .
H26A H -0.042773 -0.260704 -0.491401 0.124 Uiso 1 1 calc R U . . .
H26B H 0.027433 -0.196914 -0.515469 0.124 Uiso 1 1 calc R U . . .
C28 C 0.0380(7) -0.3147(5) -0.5610(7) 0.057(2) Uani 1 1 d . . . . .
H28A H 0.054633 -0.357501 -0.508518 0.069 Uiso 1 1 calc R U . . .
H28B H 0.100823 -0.295850 -0.564294 0.069 Uiso 1 1 calc R U . . .
C30 C -0.1010(9) -0.2221(6) -0.6327(9) 0.075(3) Uani 1 1 d . . . . .
H30A H -0.153866 -0.193338 -0.619848 0.089 Uiso 1 1 calc R U . . .
H30B H -0.079764 -0.187491 -0.675707 0.089 Uiso 1 1 calc R U . . .
C32 C -0.0382(8) -0.3458(6) -0.6629(8) 0.076(3) Uani 1 1 d . U . . .
H32A H -0.017670 -0.331772 -0.717144 0.091 Uiso 1 1 calc R U . . .
H32B H -0.047708 -0.405915 -0.662113 0.091 Uiso 1 1 calc R U . . .
Si1 Si -0.23162(14) -0.53697(10) -0.84600(12) 0.0280(3) Uani 1 1 d . . . . .
O1 O -0.2571(4) -0.4674(3) -0.7830(4) 0.0386(11) Uani 1 1 d . . . . .
O4 O -0.3175(4) -0.2496(3) -0.6025(5) 0.0502(14) Uani 1 1 d . . . . .
O6 O -0.3710(5) -0.2813(4) -0.8360(5) 0.0658(18) Uani 1 1 d . . . . .
C34 C -0.6549(5) -0.4012(3) -0.8226(5) 0.0297(14) Uani 1 1 d . . . . .
C36 C -0.2277(5) -0.6458(4) -0.6933(5) 0.0335(13) Uani 1 1 d . . . . .
H36 H -0.224280 -0.596501 -0.657483 0.040 Uiso 1 1 calc R U . . .
C38 C -0.2095(6) -0.5729(4) -0.4318(5) 0.0322(14) Uani 1 1 d . . . . .
C40 C -0.3084(6) -0.5836(4) -0.5013(6) 0.0351(15) Uani 1 1 d . . . . .
H40 H -0.338960 -0.542290 -0.550619 0.042 Uiso 1 1 calc R U . . .
C42 C -0.2334(5) -0.6412(4) -0.7910(4) 0.0278(12) Uani 1 1 d . . . . .
C44 C -0.7052(6) -0.4357(5) -0.9196(5) 0.0426(17) Uani 1 1 d . . . . .
H44 H -0.684011 -0.487386 -0.933686 0.051 Uiso 1 1 calc R U . . .
C46 C -0.2387(6) -0.7146(4) -0.8409(5) 0.0371(15) Uani 1 1 d . . . . .
H46 H -0.243573 -0.713396 -0.907526 0.044 Uiso 1 1 calc R U . . .
C48 C -0.3233(6) -0.5317(4) -0.9827(5) 0.0421(17) Uani 1 1 d . . . . .
C50 C -0.7849(7) -0.3951(6) -0.9944(5) 0.058(3) Uani 1 1 d . . . . .
H50 H -0.817783 -0.418977 -1.059303 0.070 Uiso 1 1 calc R U . . .
C52 C -0.6883(6) -0.3255(5) -0.8067(6) 0.0412(16) Uani 1 1 d . . . . .
H52 H -0.655494 -0.300096 -0.742603 0.049 Uiso 1 1 calc R U . . .
C54 C -0.2372(7) -0.7898(4) -0.7957(6) 0.0452(18) Uani 1 1 d . . . . .
H54 H -0.239316 -0.839375 -0.830550 0.054 Uiso 1 1 calc R U . . .
C56 C -0.3646(7) -0.6520(4) -0.5018(6) 0.0429(17) Uani 1 1 d . . . . .
H56 H -0.432011 -0.657775 -0.551231 0.052 Uiso 1 1 calc R U . . .
C58 C -0.3505(15) -0.1845(10) -0.4779(11) 0.114(5) Uani 1 1 d . U . . .
H58A H -0.384823 -0.218922 -0.446234 0.137 Uiso 1 1 calc R U . . .
H58B H -0.316808 -0.138625 -0.431616 0.137 Uiso 1 1 calc R U . . .
C60 C -0.2716(8) -0.2361(5) -0.4952(7) 0.057(2) Uani 1 1 d . . . . .
H60A H -0.207187 -0.205901 -0.473994 0.068 Uiso 1 1 calc R U . . .
H60B H -0.259019 -0.288663 -0.458116 0.068 Uiso 1 1 calc R U . . .
C62 C -0.8169(7) -0.3203(7) -0.9751(7) 0.066(3) Uani 1 1 d . . . . .
H62 H -0.872136 -0.292845 -1.026161 0.079 Uiso 1 1 calc R U . . .
C64 C -0.1660(7) -0.6350(4) -0.3600(5) 0.0438(17) Uani 1 1 d . . . . .
H64 H -0.097978 -0.630561 -0.311610 0.053 Uiso 1 1 calc R U . . .
C66 C -0.3018(8) -0.5685(7) -1.0587(6) 0.062(2) Uani 1 1 d . . . . .
H66 H -0.240110 -0.597413 -1.039756 0.074 Uiso 1 1 calc R U . . .
C68 C -0.3912(9) -0.1705(8) -0.9407(9) 0.086(4) Uani 1 1 d . . . . .
H68A H -0.384634 -0.167701 -1.004991 0.103 Uiso 1 1 calc R U . . .
H68B H -0.381380 -0.114770 -0.911162 0.103 Uiso 1 1 calc R U . . .
C70 C -0.7682(7) -0.2859(6) -0.8817(8) 0.061(2) Uani 1 1 d . . . . .
H70 H -0.789613 -0.234076 -0.868392 0.074 Uiso 1 1 calc R U . . .
C35 C -0.4111(8) -0.4881(5) -1.0125(7) 0.064(3) Uani 1 1 d . . . . .
H35 H -0.428860 -0.462590 -0.964098 0.077 Uiso 1 1 calc R U . . .
C9 C -0.4124(7) -0.2021(6) -0.6505(9) 0.071(3) Uani 1 1 d . . . . .
H9A H -0.470734 -0.239471 -0.681934 0.085 Uiso 1 1 calc R U . . .
H9B H -0.409889 -0.165163 -0.702933 0.085 Uiso 1 1 calc R U . . .
C37 C -0.4207(11) -0.1538(10) -0.5681(12) 0.104(5) Uani 1 1 d . . . . .
H37A H -0.407192 -0.095102 -0.574622 0.125 Uiso 1 1 calc R U . . .
H37B H -0.489379 -0.158982 -0.571575 0.125 Uiso 1 1 calc R U . . .
C19 C -0.4761(8) -0.2812(6) -0.9084(9) 0.075(3) Uani 1 1 d . . . . .
H19A H -0.489316 -0.326229 -0.957676 0.090 Uiso 1 1 calc R U . . .
H19B H -0.520887 -0.288129 -0.873981 0.090 Uiso 1 1 calc R U . . .
C39 C -0.4756(10) -0.4813(6) -1.1175(10) 0.090(4) Uani 1 1 d . U . . .
H39 H -0.535693 -0.449883 -1.138647 0.108 Uiso 1 1 calc R U . . .
C5 C -0.3672(11) -0.5640(8) -1.1592(7) 0.087(4) Uani 1 1 d . . . . .
H5 H -0.352243 -0.592252 -1.207821 0.104 Uiso 1 1 calc R U . . .
C41 C -0.4926(10) -0.2032(10) -0.9575(10) 0.102(4) Uani 1 1 d . U . . .
H41A H -0.526380 -0.165331 -0.928868 0.122 Uiso 1 1 calc R U . . .
H41B H -0.535588 -0.209394 -1.030415 0.122 Uiso 1 1 calc R U . . .
C21 C -0.3210(8) -0.7120(5) -0.4289(6) 0.051(2) Uani 1 1 d . . . . .
H21 H -0.358956 -0.758657 -0.426804 0.061 Uiso 1 1 calc R U . . .
C43 C -0.2234(8) -0.7033(5) -0.3604(6) 0.056(2) Uani 1 1 d . . . . .
H43 H -0.193595 -0.745052 -0.311462 0.067 Uiso 1 1 calc R U . . .
C11 C -0.2269(6) -0.7203(5) -0.6477(6) 0.0398(17) Uani 1 1 d . . . . .
H11 H -0.222597 -0.721977 -0.581326 0.048 Uiso 1 1 calc R U . . .
C45 C -0.1036(5) -0.5205(4) -0.8421(4) 0.0324(14) Uani 1 1 d . . . . .
C23 C -0.0187(5) -0.5658(5) -0.7805(5) 0.0375(15) Uani 1 1 d . . . . .
H23 H -0.026604 -0.610269 -0.742598 0.045 Uiso 1 1 calc R U . . .
C47 C 0.1917(3) -0.5334(4) -0.3854(4) 0.060(3) Uani 1 1 d G . . . .
H47 H 0.258316 -0.544443 -0.377649 0.073 Uiso 1 1 calc R U . . .
C3 C 0.1114(4) -0.5387(4) -0.4799(3) 0.059(2) Uani 1 1 d G . . . .
H3 H 0.123080 -0.553290 -0.536742 0.071 Uiso 1 1 calc R U . . .
C49 C 0.0140(3) -0.5226(3) -0.4913(3) 0.0447(18) Uani 1 1 d G . . . .
H49 H -0.040944 -0.526188 -0.555874 0.054 Uiso 1 1 calc R U . . .
C25 C -0.0031(3) -0.5012(3) -0.4081(3) 0.0340(14) Uani 1 1 d G . . . .
C51 C 0.0772(3) -0.4960(3) -0.3136(3) 0.0381(15) Uani 1 1 d G . . . .
H51 H 0.065499 -0.481392 -0.256820 0.046 Uiso 1 1 calc R U . . .
C13 C 0.1746(3) -0.5121(4) -0.3023(3) 0.0472(18) Uani 1 1 d G . . . .
H13 H 0.229525 -0.508494 -0.237686 0.057 Uiso 1 1 calc R U . . .
C53 C -0.0888(6) -0.4550(5) -0.8971(5) 0.0455(18) Uani 1 1 d . . . . .
H53 H -0.144968 -0.423631 -0.940939 0.055 Uiso 1 1 calc R U . . .
C27 C -0.2326(6) -0.7920(4) -0.6996(6) 0.0422(17) Uani 1 1 d . . . . .
H27 H -0.233242 -0.843342 -0.669190 0.051 Uiso 1 1 calc R U . . .
C55 C 0.0899(7) -0.4839(7) -0.8274(6) 0.064(3) Uani 1 1 d . . . . .
H55 H 0.154897 -0.472412 -0.824006 0.077 Uiso 1 1 calc R U . . .
C7 C 0.0770(7) -0.5476(6) -0.7731(6) 0.057(2) Uani 1 1 d . . . . .
H7 H 0.133335 -0.579341 -0.730389 0.068 Uiso 1 1 calc R U . . .
C57 C 0.0073(7) -0.4358(7) -0.8879(6) 0.066(3) Uani 1 1 d . . . . .
H57 H 0.016821 -0.389922 -0.922786 0.079 Uiso 1 1 calc R U . . .
C29 C -0.3205(12) -0.2249(10) -0.8744(12) 0.110(5) Uani 1 1 d . U . . .
H29A H -0.268525 -0.194076 -0.818152 0.132 Uiso 1 1 calc R U . . .
H29B H -0.286805 -0.255356 -0.909861 0.132 Uiso 1 1 calc R U . . .
C59 C -0.4521(11) -0.5195(7) -1.1882(9) 0.084(4) Uani 1 1 d . U . . .
H59 H -0.495853 -0.514449 -1.257664 0.101 Uiso 1 1 calc R U . . .
O7 O -1.0026(6) -0.2058(4) -0.9264(6) 0.077(2) Uani 1 1 d . . . . .
C15 C -1.0389(7) -0.0653(5) -0.9196(7) 0.053(2) Uani 1 1 d . . . . .
H15A H -1.010125 -0.048128 -0.848235 0.064 Uiso 1 1 calc R U . . .
H15B H -1.052706 -0.015963 -0.962786 0.064 Uiso 1 1 calc R U . . .
C61 C -1.0968(7) -0.2008(5) -0.9281(8) 0.056(2) Uani 1 1 d . . . . .
H61A H -1.094166 -0.219877 -0.862967 0.068 Uiso 1 1 calc R U . . .
H61B H -1.143968 -0.236723 -0.981797 0.068 Uiso 1 1 calc R U . . .
C31 C -0.9688(8) -0.1238(5) -0.9393(7) 0.055(2) Uani 1 1 d . . . . .
H31A H -0.974157 -0.116634 -1.008359 0.066 Uiso 1 1 calc R U . . .
H31B H -0.897962 -0.114470 -0.890733 0.066 Uiso 1 1 calc R U . . .
C63 C -1.1332(8) -0.1159(6) -0.9464(8) 0.066(2) Uani 1 1 d . . . . .
H63A H -1.167480 -0.101114 -0.903265 0.079 Uiso 1 1 calc R U . . .
H63B H -1.180655 -0.107865 -1.017716 0.079 Uiso 1 1 calc R U . . .
C2 C -0.1291(6) -0.4143(4) -0.3167(5) 0.0335(14) Uani 1 1 d . . . . .
C65 C -0.1780(7) -0.3889(7) -0.1807(5) 0.058(2) Uani 1 1 d . . . . .
H65 H -0.216104 -0.404033 -0.144686 0.069 Uiso 1 1 calc R U . . .
C33 C -0.0679(7) -0.3447(4) -0.2856(6) 0.0462(18) Uani 1 1 d . . . . .
H33 H -0.030447 -0.328787 -0.321963 0.055 Uiso 1 1 calc R U . . .
C67 C -0.1853(6) -0.4354(5) -0.2638(5) 0.0410(16) Uani 1 1 d . . . . .
H67 H -0.228919 -0.481627 -0.284262 0.049 Uiso 1 1 calc R U . . .
C17 C -0.0599(8) -0.2984(5) -0.2043(6) 0.058(2) Uani 1 1 d . . . . .
H17 H -0.017293 -0.251564 -0.184323 0.069 Uiso 1 1 calc R U . . .
C69 C -0.1166(9) -0.3221(6) -0.1512(6) 0.073(3) Uani 1 1 d . . . . .
H69 H -0.111824 -0.291236 -0.094515 0.087 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
Pr1 O3 2.228(4) . ?
Pr1 O2 2.209(4) . ?
Pr1 O5 2.565(4) . ?
Pr1 O1 2.193(4) . ?
Pr1 O4 2.577(5) . ?
Pr1 O6 2.563(6) . ?
Si2 O2 1.601(5) . ?
Si2 C4 1.900(6) . ?
Si2 C14 1.902(3) . ?
Si2 C34 1.875(7) . ?
Si3 O3 1.596(5) . ?
Si3 C38 1.891(6) . ?
Si3 C25 1.916(4) . ?
Si3 C2 1.891(6) . ?
C1 H1 0.9500 . ?
C1 C6 1.381(11) . ?
C1 C22 1.397(9) . ?
C4 C20 1.395(9) . ?
C4 C22 1.393(10) . ?
C6 H6 0.9500 . ?
C6 C24 1.376(11) . ?
C8 H8 0.9500 . ?
C8 C10 1.3900 . ?
C8 C18 1.3900 . ?
C10 H10 0.9500 . ?
C10 C12 1.3900 . ?
C12 H12 0.9500 . ?
C12 C14 1.3900 . ?
C14 C16 1.3900 . ?
C16 H16 0.9500 . ?
C16 C18 1.3900 . ?
C18 H18 0.9500 . ?
C20 H20 0.9500 . ?
C20 C24 1.406(10) . ?
C22 H22 0.9500 . ?
C24 H24 0.9500 . ?
O5 C30 1.395(11) . ?
O5 C32 1.523(12) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 C28 1.505(15) . ?
C26 C30 1.415(18) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C28 C32 1.524(12) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
Si1 O1 1.604(4) . ?
Si1 C42 1.886(6) . ?
Si1 C48 1.885(7) . ?
Si1 C45 1.871(7) . ?
O4 C60 1.443(11) . ?
O4 C9 1.481(11) . ?
O6 C19 1.453(11) . ?
O6 C29 1.436(14) . ?
C34 C44 1.413(10) . ?
C34 C52 1.383(10) . ?
C36 H36 0.9500 . ?
C36 C42 1.403(8) . ?
C36 C11 1.384(10) . ?
C38 C40 1.385(11) . ?
C38 C64 1.404(10) . ?
C40 H40 0.9500 . ?
C40 C56 1.384(9) . ?
C42 C46 1.387(9) . ?
C44 H44 0.9500 . ?
C44 C50 1.386(12) . ?
C46 H46 0.9500 . ?
C46 C54 1.390(10) . ?
C48 C66 1.415(12) . ?
C48 C35 1.368(12) . ?
C50 H50 0.9500 . ?
C50 C62 1.377(15) . ?
C52 H52 0.9500 . ?
C52 C70 1.381(12) . ?
C54 H54 0.9500 . ?
C54 C27 1.383(10) . ?
C56 H56 0.9500 . ?
C56 C21 1.390(12) . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C58 C60 1.535(16) . ?
C58 C37 1.38(2) . ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
C62 H62 0.9500 . ?
C62 C70 1.368(15) . ?
C64 H64 0.9500 . ?
C64 C43 1.394(10) . ?
C66 H66 0.9500 . ?
C66 C5 1.379(13) . ?
C68 H68A 0.9900 . ?
C68 H68B 0.9900 . ?
C68 C41 1.496(18) . ?
C68 C29 1.397(18) . ?
C70 H70 0.9500 . ?
C35 H35 0.9500 . ?
C35 C39 1.430(15) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C37 1.490(15) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C41 1.431(16) . ?
C39 H39 0.9500 . ?
C39 C59 1.374(18) . ?
C5 H5 0.9500 . ?
C5 C59 1.34(2) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C21 H21 0.9500 . ?
C21 C43 1.363(14) . ?
C43 H43 0.9500 . ?
C11 H11 0.9500 . ?
C11 C27 1.379(11) . ?
C45 C23 1.399(10) . ?
C45 C53 1.410(9) . ?
C23 H23 0.9500 . ?
C23 C7 1.391(10) . ?
C47 H47 0.9500 . ?
C47 C3 1.3900 . ?
C47 C13 1.3900 . ?
C3 H3 0.9500 . ?
C3 C49 1.3900 . ?
C49 H49 0.9500 . ?
C49 C25 1.3900 . ?
C25 C51 1.3900 . ?
C51 H51 0.9500 . ?
C51 C13 1.3900 . ?
C13 H13 0.9500 . ?
C53 H53 0.9500 . ?
C53 C57 1.391(12) . ?
C27 H27 0.9500 . ?
C55 H55 0.9500 . ?
C55 C7 1.371(12) . ?
C55 C57 1.399(15) . ?
C7 H7 0.9500 . ?
C57 H57 0.9500 . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C59 H59 0.9500 . ?
O7 C61 1.372(11) . ?
O7 C31 1.467(11) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C31 1.515(11) . ?
C15 C63 1.511(14) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C61 C63 1.466(12) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C2 C33 1.397(10) . ?
C2 C67 1.393(10) . ?
C65 H65 0.9500 . ?
C65 C67 1.402(10) . ?
C65 C69 1.360(16) . ?
C33 H33 0.9500 . ?
C33 C17 1.373(11) . ?
C67 H67 0.9500 . ?
C17 H17 0.9500 . ?
C17 C69 1.413(16) . ?
C69 H69 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
O3 Pr1 O5 87.55(16) . . ?
O3 Pr1 O4 87.11(18) . . ?
O3 Pr1 O6 161.2(2) . . ?
O2 Pr1 O3 101.37(18) . . ?
O2 Pr1 O5 166.29(16) . . ?
O2 Pr1 O4 87.36(17) . . ?
O2 Pr1 O6 88.73(19) . . ?
O5 Pr1 O4 82.67(16) . . ?
O1 Pr1 O3 102.85(18) . . ?
O1 Pr1 O2 100.58(18) . . ?
O1 Pr1 O5 87.36(16) . . ?
O1 Pr1 O4 165.62(18) . . ?
O1 Pr1 O6 90.6(2) . . ?
O6 Pr1 O5 79.96(18) . . ?
O6 Pr1 O4 77.5(2) . . ?
O2 Si2 C4 110.1(3) . . ?
O2 Si2 C14 111.3(2) . . ?
O2 Si2 C34 111.6(3) . . ?
C4 Si2 C14 110.6(2) . . ?
C34 Si2 C4 106.3(3) . . ?
C34 Si2 C14 106.7(3) . . ?
O3 Si3 C38 110.2(3) . . ?
O3 Si3 C25 110.5(2) . . ?
O3 Si3 C2 112.4(3) . . ?
C38 Si3 C25 110.1(3) . . ?
C2 Si3 C38 107.0(3) . . ?
C2 Si3 C25 106.6(3) . . ?
Si3 O3 Pr1 169.4(3) . . ?
Si2 O2 Pr1 175.7(3) . . ?
C6 C1 H1 120.1 . . ?
C6 C1 C22 119.7(7) . . ?
C22 C1 H1 120.1 . . ?
C20 C4 Si2 122.2(5) . . ?
C22 C4 Si2 120.2(5) . . ?
C22 C4 C20 117.5(6) . . ?
C1 C6 H6 119.8 . . ?
C24 C6 C1 120.3(6) . . ?
C24 C6 H6 119.8 . . ?
C10 C8 H8 120.0 . . ?
C10 C8 C18 120.0 . . ?
C18 C8 H8 120.0 . . ?
C8 C10 H10 120.0 . . ?
C8 C10 C12 120.0 . . ?
C12 C10 H10 120.0 . . ?
C10 C12 H12 120.0 . . ?
C14 C12 C10 120.0 . . ?
C14 C12 H12 120.0 . . ?
C12 C14 Si2 120.9(3) . . ?
C12 C14 C16 120.0 . . ?
C16 C14 Si2 119.1(3) . . ?
C14 C16 H16 120.0 . . ?
C18 C16 C14 120.0 . . ?
C18 C16 H16 120.0 . . ?
C8 C18 H18 120.0 . . ?
C16 C18 C8 120.0 . . ?
C16 C18 H18 120.0 . . ?
C4 C20 H20 119.3 . . ?
C4 C20 C24 121.3(7) . . ?
C24 C20 H20 119.3 . . ?
C1 C22 H22 119.2 . . ?
C4 C22 C1 121.6(7) . . ?
C4 C22 H22 119.2 . . ?
C6 C24 C20 119.6(7) . . ?
C6 C24 H24 120.2 . . ?
C20 C24 H24 120.2 . . ?
C30 O5 Pr1 127.7(6) . . ?
C30 O5 C32 106.2(7) . . ?
C32 O5 Pr1 119.7(5) . . ?
H26A C26 H26B 108.2 . . ?
C28 C26 H26A 109.7 . . ?
C28 C26 H26B 109.7 . . ?
C30 C26 H26A 109.7 . . ?
C30 C26 H26B 109.7 . . ?
C30 C26 C28 109.9(12) . . ?
C26 C28 H28A 111.4 . . ?
C26 C28 H28B 111.4 . . ?
C26 C28 C32 101.7(10) . . ?
H28A C28 H28B 109.3 . . ?
C32 C28 H28A 111.4 . . ?
C32 C28 H28B 111.4 . . ?
O5 C30 C26 100.2(11) . . ?
O5 C30 H30A 111.7 . . ?
O5 C30 H30B 111.7 . . ?
C26 C30 H30A 111.7 . . ?
C26 C30 H30B 111.7 . . ?
H30A C30 H30B 109.5 . . ?
O5 C32 C28 101.6(7) . . ?
O5 C32 H32A 111.5 . . ?
O5 C32 H32B 111.5 . . ?
C28 C32 H32A 111.5 . . ?
C28 C32 H32B 111.5 . . ?
H32A C32 H32B 109.3 . . ?
O1 Si1 C42 110.0(3) . . ?
O1 Si1 C48 110.3(3) . . ?
O1 Si1 C45 110.9(3) . . ?
C48 Si1 C42 111.3(3) . . ?
C45 Si1 C42 108.2(3) . . ?
C45 Si1 C48 106.2(3) . . ?
Si1 O1 Pr1 175.4(3) . . ?
C60 O4 Pr1 123.6(5) . . ?
C60 O4 C9 110.4(7) . . ?
C9 O4 Pr1 120.8(5) . . ?
C19 O6 Pr1 126.5(6) . . ?
C29 O6 Pr1 126.8(7) . . ?
C29 O6 C19 106.0(9) . . ?
C44 C34 Si2 121.9(5) . . ?
C52 C34 Si2 121.0(5) . . ?
C52 C34 C44 117.1(7) . . ?
C42 C36 H36 119.2 . . ?
C11 C36 H36 119.2 . . ?
C11 C36 C42 121.7(6) . . ?
C40 C38 Si3 121.0(5) . . ?
C40 C38 C64 117.5(6) . . ?
C64 C38 Si3 121.4(6) . . ?
C38 C40 H40 118.7 . . ?
C56 C40 C38 122.7(7) . . ?
C56 C40 H40 118.7 . . ?
C36 C42 Si1 118.7(5) . . ?
C46 C42 Si1 124.0(5) . . ?
C46 C42 C36 117.4(6) . . ?
C34 C44 H44 119.6 . . ?
C50 C44 C34 120.8(8) . . ?
C50 C44 H44 119.6 . . ?
C42 C46 H46 119.3 . . ?
C42 C46 C54 121.5(6) . . ?
C54 C46 H46 119.3 . . ?
C66 C48 Si1 121.5(7) . . ?
C35 C48 Si1 120.9(6) . . ?
C35 C48 C66 117.5(8) . . ?
C44 C50 H50 119.8 . . ?
C62 C50 C44 120.4(8) . . ?
C62 C50 H50 119.8 . . ?
C34 C52 H52 119.2 . . ?
C70 C52 C34 121.5(8) . . ?
C70 C52 H52 119.2 . . ?
C46 C54 H54 120.2 . . ?
C27 C54 C46 119.6(7) . . ?
C27 C54 H54 120.2 . . ?
C40 C56 H56 120.5 . . ?
C40 C56 C21 119.0(8) . . ?
C21 C56 H56 120.5 . . ?
H58A C58 H58B 108.1 . . ?
C60 C58 H58A 109.6 . . ?
C60 C58 H58B 109.6 . . ?
C37 C58 H58A 109.6 . . ?
C37 C58 H58B 109.6 . . ?
C37 C58 C60 110.2(10) . . ?
O4 C60 C58 103.2(9) . . ?
O4 C60 H60A 111.1 . . ?
O4 C60 H60B 111.1 . . ?
C58 C60 H60A 111.1 . . ?
C58 C60 H60B 111.1 . . ?
H60A C60 H60B 109.1 . . ?
C50 C62 H62 120.3 . . ?
C70 C62 C50 119.3(8) . . ?
C70 C62 H62 120.3 . . ?
C38 C64 H64 120.3 . . ?
C43 C64 C38 119.5(8) . . ?
C43 C64 H64 120.3 . . ?
C48 C66 H66 118.9 . . ?
C5 C66 C48 122.3(11) . . ?
C5 C66 H66 118.9 . . ?
H68A C68 H68B 108.7 . . ?
C41 C68 H68A 110.5 . . ?
C41 C68 H68B 110.5 . . ?
C29 C68 H68A 110.5 . . ?
C29 C68 H68B 110.5 . . ?
C29 C68 C41 106.3(10) . . ?
C52 C70 H70 119.5 . . ?
C62 C70 C52 120.9(9) . . ?
C62 C70 H70 119.5 . . ?
C48 C35 H35 120.4 . . ?
C48 C35 C39 119.1(10) . . ?
C39 C35 H35 120.4 . . ?
O4 C9 H9A 110.6 . . ?
O4 C9 H9B 110.6 . . ?
O4 C9 C37 105.8(10) . . ?
H9A C9 H9B 108.7 . . ?
C37 C9 H9A 110.6 . . ?
C37 C9 H9B 110.6 . . ?
C58 C37 C9 107.7(11) . . ?
C58 C37 H37A 110.2 . . ?
C58 C37 H37B 110.2 . . ?
C9 C37 H37A 110.2 . . ?
C9 C37 H37B 110.2 . . ?
H37A C37 H37B 108.5 . . ?
O6 C19 H19A 110.6 . . ?
O6 C19 H19B 110.6 . . ?
H19A C19 H19B 108.7 . . ?
C41 C19 O6 105.6(9) . . ?
C41 C19 H19A 110.6 . . ?
C41 C19 H19B 110.6 . . ?
C35 C39 H39 119.4 . . ?
C59 C39 C35 121.1(11) . . ?
C59 C39 H39 119.4 . . ?
C66 C5 H5 120.1 . . ?
C59 C5 C66 119.9(12) . . ?
C59 C5 H5 120.1 . . ?
C68 C41 H41A 110.4 . . ?
C68 C41 H41B 110.4 . . ?
C19 C41 C68 106.9(11) . . ?
C19 C41 H41A 110.4 . . ?
C19 C41 H41B 110.4 . . ?
H41A C41 H41B 108.6 . . ?
C56 C21 H21 120.3 . . ?
C43 C21 C56 119.4(7) . . ?
C43 C21 H21 120.3 . . ?
C64 C43 H43 119.1 . . ?
C21 C43 C64 121.9(8) . . ?
C21 C43 H43 119.1 . . ?
C36 C11 H11 120.3 . . ?
C27 C11 C36 119.4(6) . . ?
C27 C11 H11 120.3 . . ?
C23 C45 Si1 123.3(5) . . ?
C23 C45 C53 117.4(6) . . ?
C53 C45 Si1 119.2(6) . . ?
C45 C23 H23 119.1 . . ?
C7 C23 C45 121.9(7) . . ?
C7 C23 H23 119.1 . . ?
C3 C47 H47 120.0 . . ?
C3 C47 C13 120.0 . . ?
C13 C47 H47 120.0 . . ?
C47 C3 H3 120.0 . . ?
C47 C3 C49 120.0 . . ?
C49 C3 H3 120.0 . . ?
C3 C49 H49 120.0 . . ?
C25 C49 C3 120.0 . . ?
C25 C49 H49 120.0 . . ?
C49 C25 Si3 117.9(2) . . ?
C51 C25 Si3 122.0(2) . . ?
C51 C25 C49 120.0 . . ?
C25 C51 H51 120.0 . . ?
C25 C51 C13 120.0 . . ?
C13 C51 H51 120.0 . . ?
C47 C13 H13 120.0 . . ?
C51 C13 C47 120.0 . . ?
C51 C13 H13 120.0 . . ?
C45 C53 H53 119.7 . . ?
C57 C53 C45 120.6(8) . . ?
C57 C53 H53 119.7 . . ?
C54 C27 H27 119.8 . . ?
C11 C27 C54 120.4(7) . . ?
C11 C27 H27 119.8 . . ?
C7 C55 H55 120.1 . . ?
C7 C55 C57 119.8(8) . . ?
C57 C55 H55 120.1 . . ?
C23 C7 H7 120.0 . . ?
C55 C7 C23 120.0(9) . . ?
C55 C7 H7 120.0 . . ?
C53 C57 C55 120.3(8) . . ?
C53 C57 H57 119.9 . . ?
C55 C57 H57 119.9 . . ?
O6 C29 H29A 109.9 . . ?
O6 C29 H29B 109.9 . . ?
C68 C29 O6 109.0(12) . . ?
C68 C29 H29A 109.9 . . ?
C68 C29 H29B 109.9 . . ?
H29A C29 H29B 108.3 . . ?
C39 C59 H59 120.0 . . ?
C5 C59 C39 120.0(11) . . ?
C5 C59 H59 120.0 . . ?
C61 O7 C31 109.6(7) . . ?
H15A C15 H15B 109.1 . . ?
C31 C15 H15A 111.2 . . ?
C31 C15 H15B 111.2 . . ?
C63 C15 H15A 111.2 . . ?
C63 C15 H15B 111.2 . . ?
C63 C15 C31 103.1(7) . . ?
O7 C61 H61A 109.6 . . ?
O7 C61 H61B 109.6 . . ?
O7 C61 C63 110.2(8) . . ?
H61A C61 H61B 108.1 . . ?
C63 C61 H61A 109.6 . . ?
C63 C61 H61B 109.6 . . ?
O7 C31 C15 104.8(7) . . ?
O7 C31 H31A 110.8 . . ?
O7 C31 H31B 110.8 . . ?
C15 C31 H31A 110.8 . . ?
C15 C31 H31B 110.8 . . ?
H31A C31 H31B 108.9 . . ?
C15 C63 H63A 110.9 . . ?
C15 C63 H63B 110.9 . . ?
C61 C63 C15 104.3(8) . . ?
C61 C63 H63A 110.9 . . ?
C61 C63 H63B 110.9 . . ?
H63A C63 H63B 108.9 . . ?
C33 C2 Si3 120.9(6) . . ?
C67 C2 Si3 121.2(6) . . ?
C67 C2 C33 117.9(7) . . ?
C67 C65 H65 119.8 . . ?
C69 C65 H65 119.8 . . ?
C69 C65 C67 120.4(8) . . ?
C2 C33 H33 118.8 . . ?
C17 C33 C2 122.5(8) . . ?
C17 C33 H33 118.8 . . ?
C2 C67 C65 120.4(8) . . ?
C2 C67 H67 119.8 . . ?
C65 C67 H67 119.8 . . ?
C33 C17 H17 120.8 . . ?
C33 C17 C69 118.3(8) . . ?
C69 C17 H17 120.8 . . ?
C65 C69 C17 120.6(7) . . ?
C65 C69 H69 119.7 . . ?
C17 C69 H69 119.7 . . ?

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
Pr1 O5 C30 C26 105.5(9) . . . . ?
Pr1 O5 C32 C28 -117.8(6) . . . . ?
Pr1 O4 C60 C58 -148.6(8) . . . . ?
Pr1 O4 C9 C37 158.9(8) . . . . ?
Pr1 O6 C19 C41 163.6(8) . . . . ?
Pr1 O6 C29 C68 -167.1(9) . . . . ?
Si2 C4 C20 C24 -176.7(5) . . . . ?
Si2 C4 C22 C1 176.7(6) . . . . ?
Si2 C14 C16 C18 178.8(4) . . . . ?
Si2 C34 C44 C50 -180.0(5) . . . . ?
Si2 C34 C52 C70 -179.7(6) . . . . ?
Si3 C38 C40 C56 -176.4(5) . . . . ?
Si3 C38 C64 C43 175.8(6) . . . . ?
Si3 C25 C51 C13 -177.5(4) . . . . ?
Si3 C2 C33 C17 179.5(7) . . . . ?
Si3 C2 C67 C65 -179.5(6) . . . . ?
O3 Si3 C38 C40 -16.5(6) . . . . ?
O3 Si3 C38 C64 166.9(5) . . . . ?
O3 Si3 C2 C33 -68.5(6) . . . . ?
O3 Si3 C2 C67 109.5(6) . . . . ?
O2 Si2 C4 C20 163.8(5) . . . . ?
O2 Si2 C4 C22 -13.1(6) . . . . ?
O2 Si2 C34 C44 98.2(5) . . . . ?
O2 Si2 C34 C52 -81.1(5) . . . . ?
C1 C6 C24 C20 -1.3(11) . . . . ?
C4 Si2 C34 C44 -141.7(5) . . . . ?
C4 Si2 C34 C52 39.0(6) . . . . ?
C4 C20 C24 C6 0.6(11) . . . . ?
C6 C1 C22 C4 -0.4(11) . . . . ?
C8 C10 C12 C14 0.0 . . . . ?
C10 C8 C18 C16 0.0 . . . . ?
C10 C12 C14 Si2 -178.8(4) . . . . ?
C10 C12 C14 C16 0.0 . . . . ?
C12 C14 C16 C18 0.0 . . . . ?
C14 Si2 C4 C20 -72.7(6) . . . . ?
C14 Si2 C4 C22 110.4(5) . . . . ?
C14 Si2 C34 C44 -23.6(6) . . . . ?
C14 Si2 C34 C52 157.0(5) . . . . ?
C14 C16 C18 C8 0.0 . . . . ?
C18 C8 C10 C12 0.0 . . . . ?
C20 C4 C22 C1 -0.3(10) . . . . ?
C22 C1 C6 C24 1.2(11) . . . . ?
C22 C4 C20 C24 0.2(10) . . . . ?
C26 C28 C32 O5 -11.2(11) . . . . ?
C28 C26 C30 O5 38.6(14) . . . . ?
C30 O5 C32 C28 36.1(10) . . . . ?
C30 C26 C28 C32 -16.1(15) . . . . ?
C32 O5 C30 C26 -45.7(11) . . . . ?
Si1 C42 C46 C54 178.3(6) . . . . ?
Si1 C48 C66 C5 -178.8(8) . . . . ?
Si1 C48 C35 C39 176.1(7) . . . . ?
Si1 C45 C23 C7 -174.6(6) . . . . ?
Si1 C45 C53 C57 173.4(7) . . . . ?
O1 Si1 C42 C36 -17.1(6) . . . . ?
O1 Si1 C42 C46 163.7(6) . . . . ?
O1 Si1 C48 C66 161.3(6) . . . . ?
O1 Si1 C48 C35 -15.1(8) . . . . ?
O1 Si1 C45 C23 102.3(6) . . . . ?
O1 Si1 C45 C53 -72.3(6) . . . . ?
O4 C9 C37 C58 -12.7(17) . . . . ?
O6 C19 C41 C68 19.7(15) . . . . ?
C34 Si2 C4 C20 42.7(6) . . . . ?
C34 Si2 C4 C22 -134.1(5) . . . . ?
C34 C44 C50 C62 -0.3(11) . . . . ?
C34 C52 C70 C62 -0.4(13) . . . . ?
C36 C42 C46 C54 -0.9(11) . . . . ?
C36 C11 C27 C54 1.1(12) . . . . ?
C38 Si3 O3 Pr1 -15.7(16) . . . . ?
C38 Si3 C2 C33 170.4(6) . . . . ?
C38 Si3 C2 C67 -11.7(7) . . . . ?
C38 C40 C56 C21 1.0(10) . . . . ?
C38 C64 C43 C21 0.2(12) . . . . ?
C40 C38 C64 C43 -1.0(10) . . . . ?
C40 C56 C21 C43 -1.7(11) . . . . ?
C42 Si1 C48 C66 -76.4(7) . . . . ?
C42 Si1 C48 C35 107.3(7) . . . . ?
C42 Si1 C45 C23 -18.4(6) . . . . ?
C42 Si1 C45 C53 167.1(5) . . . . ?
C42 C36 C11 C27 -0.4(11) . . . . ?
C42 C46 C54 C27 1.5(12) . . . . ?
C44 C34 C52 C70 1.0(10) . . . . ?
C44 C50 C62 C70 0.9(12) . . . . ?
C46 C54 C27 C11 -1.6(13) . . . . ?
C48 Si1 C42 C36 -139.6(5) . . . . ?
C48 Si1 C42 C46 41.2(7) . . . . ?
C48 Si1 C45 C23 -138.0(6) . . . . ?
C48 Si1 C45 C53 47.5(6) . . . . ?
C48 C66 C5 C59 3.9(16) . . . . ?
C48 C35 C39 C59 1.6(16) . . . . ?
C50 C62 C70 C52 -0.6(13) . . . . ?
C52 C34 C44 C50 -0.7(9) . . . . ?
C56 C21 C43 C64 1.1(12) . . . . ?
C60 O4 C9 C37 3.3(11) . . . . ?
C60 C58 C37 C9 17(2) . . . . ?
C64 C38 C40 C56 0.3(9) . . . . ?
C66 C48 C35 C39 -0.4(13) . . . . ?
C66 C5 C59 C39 -2.6(18) . . . . ?
C35 C48 C66 C5 -2.3(13) . . . . ?
C35 C39 C59 C5 -0.1(18) . . . . ?
C9 O4 C60 C58 6.2(11) . . . . ?
C37 C58 C60 O4 -14.6(17) . . . . ?
C19 O6 C29 C68 22.1(16) . . . . ?
C41 C68 C29 O6 -9.7(18) . . . . ?
C11 C36 C42 Si1 -178.9(6) . . . . ?
C11 C36 C42 C46 0.3(10) . . . . ?
C45 Si1 C42 C36 104.1(5) . . . . ?
C45 Si1 C42 C46 -75.1(6) . . . . ?
C45 Si1 C48 C66 41.2(7) . . . . ?
C45 Si1 C48 C35 -135.2(7) . . . . ?
C45 C23 C7 C55 -0.3(13) . . . . ?
C45 C53 C57 C55 3.1(13) . . . . ?
C23 C45 C53 C57 -1.4(11) . . . . ?
C47 C3 C49 C25 0.0 . . . . ?
C3 C47 C13 C51 0.0 . . . . ?
C3 C49 C25 Si3 177.6(4) . . . . ?
C3 C49 C25 C51 0.0 . . . . ?
C49 C25 C51 C13 0.0 . . . . ?
C25 Si3 O3 Pr1 106.1(15) . . . . ?
C25 Si3 C38 C40 -138.6(5) . . . . ?
C25 Si3 C38 C64 44.8(6) . . . . ?
C25 Si3 C2 C33 52.7(6) . . . . ?
C25 Si3 C2 C67 -129.4(6) . . . . ?
C25 C51 C13 C47 0.0 . . . . ?
C13 C47 C3 C49 0.0 . . . . ?
C53 C45 C23 C7 0.0(10) . . . . ?
C7 C55 C57 C53 -3.3(15) . . . . ?
C57 C55 C7 C23 1.9(14) . . . . ?
C29 O6 C19 C41 -25.6(14) . . . . ?
C29 C68 C41 C19 -6.5(17) . . . . ?
O7 C61 C63 C15 -19.3(11) . . . . ?
C61 O7 C31 C15 15.6(10) . . . . ?
C31 O7 C61 C63 2.3(11) . . . . ?
C31 C15 C63 C61 27.5(10) . . . . ?
C63 C15 C31 O7 -26.3(10) . . . . ?
C2 Si3 O3 Pr1 -135.0(15) . . . . ?
C2 Si3 C38 C40 106.0(5) . . . . ?
C2 Si3 C38 C64 -70.7(6) . . . . ?
C2 C33 C17 C69 -0.5(12) . . . . ?
C33 C2 C67 C65 -1.5(11) . . . . ?
C33 C17 C69 C65 -0.5(13) . . . . ?
C67 C2 C33 C17 1.5(11) . . . . ?
C67 C65 C69 C17 0.4(14) . . . . ?
C69 C65 C67 C2 0.6(13) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_triclinic_pl
_database_code_depnum_ccdc_archive 'CCDC 2334474'
loop_
_audit_author_name
_audit_author_address
'Tianjiao Xue'
;Southern University of Science and Technology
China
;
_audit_update_record             
;
2024-02-22 deposited with the CCDC.	2024-03-06 downloaded from the CCDC.
;
_audit_creation_date             2024-02-22
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C84 H72 N2 O6 Pr Si4, C7 H8'
_chemical_formula_sum            'C91 H80 N2 O6 Pr Si4'
_chemical_formula_weight         1550.84
_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'
N N 0.0061 0.0033 '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'
Pr Pr -0.2180 2.8214 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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                   17.1044(19)
_cell_length_b                   18.958(2)
_cell_length_c                   24.198(2)
_cell_angle_alpha                90
_cell_angle_beta                 99.729(4)
_cell_angle_gamma                90
_cell_volume                     7733.7(13)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9301
_cell_measurement_temperature    101.15
_cell_measurement_theta_max      27.81
_cell_measurement_theta_min      2.25
_shelx_estimated_absorpt_T_max   0.985
_shelx_estimated_absorpt_T_min   0.929
_exptl_absorpt_coefficient_mu    0.748
_exptl_absorpt_correction_T_max  0.0949
_exptl_absorpt_correction_T_min  0.0491
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1241 before and 0.0892 after correction.
The Ratio of minimum to maximum transmission is 0.5174.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dark red'
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.332
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3212
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1787
_diffrn_reflns_av_unetI/netI     0.1087
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            93734
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.027
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_min         2.252
_diffrn_ambient_temperature      101.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8454
_reflns_number_total             13655
_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 (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         0.955
_refine_diff_density_min         -1.167
_refine_diff_density_rms         0.130
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     940
_refine_ls_number_reflns         13655
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1305
_refine_ls_R_factor_gt           0.0652
_refine_ls_restrained_S_all      1.096
_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)+36.7222P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1216
_refine_ls_wR_factor_ref         0.1474
_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 Aromatic/amide H refined with riding coordinates:
 C1(H1), C4(H4), C10(H10), C16(H16), C20(H20), C22(H22), C38(H38), C40(H40),
 C42(H42), C44(H44), C46(H46), C48(H48), C50(H50), C52(H52), C54(H54), C56(H56),
  C58(H58), C64(H64), C66(H66), C68(H68), C70(H70), C72(H72), C76(H76),
 C78(H78), C82(H82), C84(H84), C86(H86), C88(H88), C90(H90), C91(H91), C23(H23),
  C47(H47), C3(H3), C49(H49), C25(H25), C51(H51), C13(H13), C53(H53), C27(H27),
 C55(H55), C7(H7), C57(H57), C29(H29), C59(H59), C15(H15), C61(H61), C31(H31),
 C63(H63), C2(H2), C65(H65), C33(H33), C67(H67), C17(H17), C69(H69), C35(H35),
 C71(H71), C9(H9), C73(H73), C37(H37), C75(H75), C19(H19), C77(H77), C39(H39),
 C79(H79), C5(H5), C83(H83), C21(H21), C43(H43), C87(H87), C11(H11), C45(H45)
2.b Idealised Me refined as rotating group:
 C81(H81A,H81B,H81C), C41(H41A,H41B,H41C), C89(H89A,H89B,H89C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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
Pr1 Pr 0.25213(2) 0.26171(2) 0.22028(2) 0.02490(11) Uani 1 1 d . . . . .
Si3 Si 0.04389(11) 0.25756(10) 0.23900(7) 0.0246(4) Uani 1 1 d . . . . .
Si2 Si 0.37473(11) 0.26366(10) 0.36026(7) 0.0250(4) Uani 1 1 d . . . . .
Si1 Si 0.26744(12) 0.44646(10) 0.18347(7) 0.0252(4) Uani 1 1 d . . . . .
Si4 Si 0.27306(11) 0.07134(10) 0.19602(7) 0.0244(4) Uani 1 1 d . . . . .
O3 O 0.1321(3) 0.2729(2) 0.22704(17) 0.0262(10) Uani 1 1 d . . . . .
O4 O 0.2457(3) 0.1515(2) 0.20475(16) 0.0279(11) Uani 1 1 d . . . . .
O2 O 0.3100(3) 0.2527(2) 0.30423(15) 0.0295(11) Uani 1 1 d . . . . .
O1 O 0.2765(3) 0.3716(2) 0.21632(17) 0.0306(11) Uani 1 1 d . . . . .
N2 N 0.2075(3) 0.2633(3) 0.11340(19) 0.0221(11) Uani 1 1 d . . . . .
O6 O 0.1249(3) 0.2059(3) -0.04972(18) 0.0369(12) Uani 1 1 d . . . . .
O5 O 0.5326(3) 0.2031(3) 0.06641(19) 0.0419(13) Uani 1 1 d . . . . .
N1 N 0.3584(3) 0.2468(3) 0.16001(19) 0.0239(12) Uani 1 1 d . . . . .
C1 C 0.1304(4) 0.2666(3) 0.0923(2) 0.0188(13) Uani 1 1 d . . . . .
H1 H 0.095612 0.281883 0.116614 0.023 Uiso 1 1 calc R U . . .
C4 C 0.1074(4) 0.1827(4) 0.3384(3) 0.0311(17) Uani 1 1 d . . . . .
H4 H 0.154583 0.208900 0.337570 0.037 Uiso 1 1 calc R U . . .
C6 C 0.1484(4) 0.2279(3) 0.0034(2) 0.0252(15) Uani 1 1 d . . . . .
C8 C 0.1795(4) 0.4431(3) 0.1259(3) 0.0270(16) Uani 1 1 d . . . . .
C10 C 0.0978(4) 0.2498(3) 0.0390(2) 0.0283(16) Uani 1 1 d . . . . .
H10 H 0.042224 0.252992 0.026445 0.034 Uiso 1 1 calc R U . . .
C12 C 0.3411(4) 0.2380(3) 0.1041(2) 0.0250(14) Uani 1 1 d . . . . .
C14 C -0.0226(4) 0.2268(3) 0.1741(2) 0.0252(15) Uani 1 1 d . . . . .
C16 C -0.0157(5) 0.1581(4) 0.1547(3) 0.0348(18) Uani 1 1 d . . . . .
H16 H 0.020842 0.126550 0.175959 0.042 Uiso 1 1 calc R U . . .
C18 C 0.3755(4) 0.1841(4) 0.4058(3) 0.0288(16) Uani 1 1 d . . . . .
C20 C 0.4100(4) 0.0496(4) 0.1432(3) 0.0312(17) Uani 1 1 d . . . . .
H20 H 0.373630 0.044406 0.109178 0.037 Uiso 1 1 calc R U . . .
C22 C 0.1874(5) 0.4417(4) 0.0695(3) 0.0327(17) Uani 1 1 d . . . . .
H22 H 0.238689 0.445288 0.059569 0.039 Uiso 1 1 calc R U . . .
C24 C 0.2507(4) 0.0137(3) 0.2546(3) 0.0290(16) Uani 1 1 d . . . . .
C26 C 0.2169(4) 0.0360(4) 0.1287(3) 0.0278(16) Uani 1 1 d . . . . .
C28 C 0.2500(4) 0.5180(3) 0.2328(3) 0.0275(16) Uani 1 1 d . . . . .
C30 C 0.2569(4) 0.2425(3) 0.0790(2) 0.0260(15) Uani 1 1 d . . . . .
C32 C 0.3590(4) 0.4661(3) 0.1541(3) 0.0276(16) Uani 1 1 d . . . . .
C34 C 0.3807(4) 0.0641(3) 0.1930(2) 0.0250(15) Uani 1 1 d . . . . .
C36 C 0.3490(5) 0.3415(4) 0.4014(3) 0.0306(17) Uani 1 1 d . . . . .
C38 C -0.0774(4) 0.2700(4) 0.1416(2) 0.0329(17) Uani 1 1 d . . . . .
H38 H -0.084401 0.316787 0.153914 0.039 Uiso 1 1 calc R U . . .
C40 C 0.2453(4) 0.5887(4) 0.2162(3) 0.0321(16) Uani 1 1 d . . . . .
H40 H 0.250116 0.600107 0.178692 0.039 Uiso 1 1 calc R U . . .
C42 C 0.5172(5) 0.0664(4) 0.2412(3) 0.0344(17) Uani 1 1 d . . . . .
H42 H 0.553875 0.073378 0.274910 0.041 Uiso 1 1 calc R U . . .
C44 C 0.2432(4) 0.5045(4) 0.2883(3) 0.0311(16) Uani 1 1 d . . . . .
H44 H 0.247782 0.457277 0.301653 0.037 Uiso 1 1 calc R U . . .
C46 C 0.4374(4) 0.0722(4) 0.2414(3) 0.0324(17) Uani 1 1 d . . . . .
H46 H 0.419943 0.082100 0.275868 0.039 Uiso 1 1 calc R U . . .
C48 C 0.5281(4) 0.2261(4) 0.3356(3) 0.0349(18) Uani 1 1 d . . . . .
H48 H 0.517046 0.179571 0.346806 0.042 Uiso 1 1 calc R U . . .
C50 C 0.4340(4) 0.2419(4) 0.1850(3) 0.0326(17) Uani 1 1 d . . . . .
H50 H 0.445744 0.249200 0.224352 0.039 Uiso 1 1 calc R U . . .
C52 C 0.2289(4) 0.2262(4) 0.0236(3) 0.0304(16) Uani 1 1 d . . . . .
H52 H 0.265056 0.213912 -0.000620 0.036 Uiso 1 1 calc R U . . .
C54 C 0.1578(4) 0.0761(4) 0.0961(3) 0.0301(16) Uani 1 1 d . . . . .
H54 H 0.147408 0.122578 0.107680 0.036 Uiso 1 1 calc R U . . .
C56 C 0.4005(4) 0.2237(4) 0.0731(3) 0.0299(16) Uani 1 1 d . . . . .
H56 H 0.387574 0.217506 0.033676 0.036 Uiso 1 1 calc R U . . .
C58 C 0.4959(4) 0.2269(4) 0.1572(3) 0.0311(16) Uani 1 1 d . . . . .
H58 H 0.548695 0.222631 0.176776 0.037 Uiso 1 1 calc R U . . .
C60 C 0.0440(5) 0.1888(4) 0.2940(3) 0.0309(17) Uani 1 1 d . . . . .
C62 C 0.0056(4) 0.3386(3) 0.2687(3) 0.0271(16) Uani 1 1 d . . . . .
C64 C 0.3158(5) 0.0738(4) 0.4274(3) 0.0377(18) Uani 1 1 d . . . . .
H64 H 0.276768 0.038405 0.417138 0.045 Uiso 1 1 calc R U . . .
C66 C 0.1037(4) 0.4373(4) 0.1387(3) 0.0321(17) Uani 1 1 d . . . . .
H66 H 0.096789 0.437790 0.176846 0.039 Uiso 1 1 calc R U . . .
C68 C 0.1027(5) 0.1393(4) 0.3835(3) 0.0348(18) Uani 1 1 d . . . . .
H68 H 0.146248 0.136074 0.413504 0.042 Uiso 1 1 calc R U . . .
C70 C -0.1219(4) 0.2475(4) 0.0920(3) 0.0391(19) Uani 1 1 d . . . . .
H70 H -0.158160 0.278739 0.070233 0.047 Uiso 1 1 calc R U . . .
C72 C 0.4286(4) 0.1777(4) 0.4564(3) 0.0332(17) Uani 1 1 d . . . . .
H72 H 0.468400 0.212506 0.466515 0.040 Uiso 1 1 calc R U . . .
C74 C 0.4745(4) 0.2802(4) 0.3407(2) 0.0280(16) Uani 1 1 d . . . . .
C76 C 0.2300(5) 0.5576(4) 0.3245(3) 0.0372(19) Uani 1 1 d . . . . .
H76 H 0.224419 0.546538 0.361872 0.045 Uiso 1 1 calc R U . . .
C78 C 0.3215(4) 0.1302(4) 0.3921(3) 0.0334(17) Uani 1 1 d . . . . .
H78 H 0.286787 0.131901 0.357011 0.040 Uiso 1 1 calc R U . . .
C80 C 0.4784(4) 0.2183(4) 0.0997(3) 0.0318(17) Uani 1 1 d . . . . .
C82 C 0.2960(5) -0.0432(4) 0.2754(3) 0.0353(18) Uani 1 1 d . . . . .
H82 H 0.343184 -0.053135 0.261040 0.042 Uiso 1 1 calc R U . . .
C84 C 0.4252(4) 0.4228(4) 0.1695(3) 0.0329(17) Uani 1 1 d . . . . .
H84 H 0.421176 0.382992 0.192735 0.040 Uiso 1 1 calc R U . . .
C86 C 0.0552(4) 0.3950(4) 0.2846(3) 0.0321(17) Uani 1 1 d . . . . .
H86 H 0.107124 0.394999 0.275475 0.039 Uiso 1 1 calc R U . . .
C88 C -0.0226(4) 0.1480(4) 0.2963(3) 0.0340(17) Uani 1 1 d . . . . .
H88 H -0.065834 0.149907 0.265935 0.041 Uiso 1 1 calc R U . . .
C90 C 0.1283(5) -0.0181(4) 0.0296(3) 0.045(2) Uani 1 1 d . . . . .
H90 H 0.097605 -0.036712 -0.003558 0.054 Uiso 1 1 calc R U . . .
C91 C 0.1873(5) -0.0582(4) 0.0606(3) 0.0393(19) Uani 1 1 d . . . . .
H91 H 0.197727 -0.104410 0.048472 0.047 Uiso 1 1 calc R U . . .
C23 C 0.4929(5) 0.3471(4) 0.3234(3) 0.0375(19) Uani 1 1 d . . . . .
H23 H 0.457298 0.384838 0.326157 0.045 Uiso 1 1 calc R U . . .
C47 C 0.0376(5) 0.4308(4) 0.0967(3) 0.0364(18) Uani 1 1 d . . . . .
H47 H -0.013912 0.427331 0.106334 0.044 Uiso 1 1 calc R U . . .
C3 C 0.0309(5) 0.4521(4) 0.3138(3) 0.0383(19) Uani 1 1 d . . . . .
H3 H 0.065497 0.490863 0.324010 0.046 Uiso 1 1 calc R U . . .
C49 C 0.0350(5) 0.1007(4) 0.3849(3) 0.0367(18) Uani 1 1 d . . . . .
H49 H 0.031735 0.071219 0.416187 0.044 Uiso 1 1 calc R U . . .
C25 C -0.0705(4) 0.3403(4) 0.2826(3) 0.0326(17) Uani 1 1 d . . . . .
H25 H -0.105868 0.302113 0.271814 0.039 Uiso 1 1 calc R U . . .
C51 C 0.2313(5) -0.0315(4) 0.1094(3) 0.0336(17) Uani 1 1 d . . . . .
H51 H 0.272147 -0.059539 0.130115 0.040 Uiso 1 1 calc R U . . .
C13 C -0.0608(5) 0.1352(4) 0.1054(3) 0.0403(19) Uani 1 1 d . . . . .
H13 H -0.054978 0.088165 0.093053 0.048 Uiso 1 1 calc R U . . .
C53 C 0.5610(5) 0.3600(4) 0.3026(3) 0.040(2) Uani 1 1 d . . . . .
H53 H 0.572347 0.406427 0.291458 0.049 Uiso 1 1 calc R U . . .
C27 C 0.2708(5) 0.3645(4) 0.3971(3) 0.0383(19) Uani 1 1 d . . . . .
H27 H 0.230964 0.342849 0.370376 0.046 Uiso 1 1 calc R U . . .
C55 C 0.2340(4) 0.6425(4) 0.2523(3) 0.0350(18) Uani 1 1 d . . . . .
H55 H 0.232365 0.690092 0.239963 0.042 Uiso 1 1 calc R U . . .
C7 C 0.1811(5) 0.0270(4) 0.2764(3) 0.0356(18) Uani 1 1 d . . . . .
H7 H 0.148695 0.066232 0.263059 0.043 Uiso 1 1 calc R U . . .
C57 C 0.4387(5) 0.5364(4) 0.1015(3) 0.039(2) Uani 1 1 d . . . . .
H57 H 0.443485 0.576184 0.078484 0.047 Uiso 1 1 calc R U . . .
C29 C 0.3673(4) 0.5226(4) 0.1188(2) 0.0302(17) Uani 1 1 d . . . . .
H29 H 0.323046 0.552197 0.106340 0.036 Uiso 1 1 calc R U . . .
C59 C 0.1141(5) 0.0492(4) 0.0472(3) 0.0371(19) Uani 1 1 d . . . . .
H59 H 0.074221 0.077263 0.025583 0.045 Uiso 1 1 calc R U . . .
C15 C 0.4237(5) 0.1211(4) 0.4921(3) 0.0391(19) Uani 1 1 d . . . . .
H15 H 0.459441 0.117950 0.526606 0.047 Uiso 1 1 calc R U . . .
C61 C 0.0467(5) 0.4294(4) 0.0415(3) 0.0371(18) Uani 1 1 d . . . . .
H61 H 0.001684 0.424515 0.012751 0.045 Uiso 1 1 calc R U . . .
C31 C 0.3672(5) 0.0693(4) 0.4775(3) 0.040(2) Uani 1 1 d . . . . .
H31 H 0.363875 0.030721 0.502069 0.048 Uiso 1 1 calc R U . . .
C63 C -0.1136(5) 0.1792(4) 0.0741(3) 0.041(2) Uani 1 1 d . . . . .
H63 H -0.144604 0.163042 0.040198 0.050 Uiso 1 1 calc R U . . .
C2 C 0.2250(4) 0.6264(4) 0.3068(3) 0.0368(18) Uani 1 1 d . . . . .
H2 H 0.215338 0.662895 0.331756 0.044 Uiso 1 1 calc R U . . .
C65 C 0.5973(4) 0.2391(4) 0.3145(3) 0.0399(18) Uani 1 1 d . . . . .
H65 H 0.633554 0.201853 0.311630 0.048 Uiso 1 1 calc R U . . .
C33 C 0.6132(5) 0.3061(4) 0.2977(3) 0.0375(18) Uani 1 1 d . . . . .
H33 H 0.660124 0.315185 0.282811 0.045 Uiso 1 1 calc R U . . .
C67 C -0.0952(5) 0.3964(4) 0.3116(3) 0.0363(18) Uani 1 1 d . . . . .
H67 H -0.147212 0.396952 0.320583 0.044 Uiso 1 1 calc R U . . .
C17 C 0.5444(5) 0.0505(4) 0.1919(3) 0.0377(18) Uani 1 1 d . . . . .
H17 H 0.599601 0.044860 0.191927 0.045 Uiso 1 1 calc R U . . .
C69 C 0.1592(5) -0.0163(4) 0.3171(3) 0.0393(19) Uani 1 1 d . . . . .
H69 H 0.111503 -0.007209 0.331032 0.047 Uiso 1 1 calc R U . . .
C35 C 0.4058(5) 0.3756(4) 0.4405(3) 0.0395(19) Uani 1 1 d . . . . .
H35 H 0.459849 0.361605 0.444595 0.047 Uiso 1 1 calc R U . . .
C71 C 0.2498(5) 0.4174(4) 0.4303(3) 0.0410(19) Uani 1 1 d . . . . .
H71 H 0.195842 0.431401 0.426728 0.049 Uiso 1 1 calc R U . . .
C9 C 0.4906(5) 0.0429(4) 0.1426(3) 0.0381(19) Uani 1 1 d . . . . .
H9 H 0.508922 0.033042 0.108443 0.046 Uiso 1 1 calc R U . . .
C73 C 0.5025(5) 0.4931(4) 0.1173(3) 0.0388(19) Uani 1 1 d . . . . .
H73 H 0.551060 0.501972 0.104563 0.047 Uiso 1 1 calc R U . . .
C37 C 0.1216(5) 0.4350(4) 0.0278(3) 0.0388(19) Uani 1 1 d . . . . .
H37 H 0.128049 0.434265 -0.010411 0.047 Uiso 1 1 calc R U . . .
C75 C 0.4958(5) 0.4364(4) 0.1519(3) 0.0389(19) Uani 1 1 d . . . . .
H75 H 0.540328 0.406767 0.163665 0.047 Uiso 1 1 calc R U . . .
C19 C 0.3060(6) 0.4502(4) 0.4686(3) 0.047(2) Uani 1 1 d . . . . .
H19 H 0.291283 0.486791 0.491568 0.056 Uiso 1 1 calc R U . . .
C77 C -0.0442(5) 0.4517(4) 0.3276(3) 0.042(2) Uani 1 1 d . . . . .
H77 H -0.060764 0.489839 0.348263 0.051 Uiso 1 1 calc R U . . .
C39 C 0.2749(5) -0.0866(4) 0.3165(3) 0.043(2) Uani 1 1 d . . . . .
H39 H 0.307431 -0.125620 0.330155 0.052 Uiso 1 1 calc R U . . .
C79 C -0.0281(5) 0.1045(4) 0.3413(3) 0.0367(18) Uani 1 1 d . . . . .
H79 H -0.074728 0.077560 0.342252 0.044 Uiso 1 1 calc R U . . .
C5 C 0.2064(5) -0.0727(5) 0.3375(3) 0.046(2) Uani 1 1 d . . . . .
H5 H 0.191720 -0.101829 0.366041 0.055 Uiso 1 1 calc R U . . .
C81 C 0.6132(5) 0.1920(5) 0.0936(3) 0.049(2) Uani 1 1 d . . . . .
H81A H 0.645985 0.179963 0.065402 0.073 Uiso 1 1 calc R U . . .
H81B H 0.614899 0.153222 0.120561 0.073 Uiso 1 1 calc R U . . .
H81C H 0.633503 0.235097 0.113231 0.073 Uiso 1 1 calc R U . . .
C41 C 0.0414(5) 0.2025(4) -0.0707(3) 0.042(2) Uani 1 1 d . . . . .
H41A H 0.032723 0.185198 -0.109396 0.063 Uiso 1 1 calc R U . . .
H41B H 0.018194 0.249651 -0.069639 0.063 Uiso 1 1 calc R U . . .
H41C H 0.016153 0.170328 -0.047306 0.063 Uiso 1 1 calc R U . . .
C83 C 0.3842(6) 0.4298(4) 0.4737(3) 0.048(2) Uani 1 1 d . . . . .
H83 H 0.423488 0.452807 0.499979 0.057 Uiso 1 1 calc R U . . .
C21 C 0.1866(6) 0.6374(5) 0.0374(4) 0.058(3) Uani 1 1 d . . . . .
H21 H 0.138802 0.619209 0.046834 0.070 Uiso 1 1 calc R U . . .
C85 C 0.2188(5) 0.7001(5) 0.0626(3) 0.050(2) Uani 1 1 d . . . . .
C43 C 0.2937(7) 0.6277(5) -0.0143(3) 0.066(3) Uani 1 1 d . . . . .
H43 H 0.318966 0.603342 -0.040790 0.079 Uiso 1 1 calc R U . . .
C87 C 0.2231(7) 0.6025(5) -0.0004(4) 0.063(3) Uani 1 1 d . . . . .
H87 H 0.200068 0.560529 -0.017344 0.076 Uiso 1 1 calc R U . . .
C11 C 0.2886(5) 0.7249(5) 0.0484(3) 0.049(2) Uani 1 1 d . . . . .
H11 H 0.311384 0.767415 0.064439 0.059 Uiso 1 1 calc R U . . .
C89 C 0.1787(6) 0.7394(5) 0.1028(4) 0.065(3) Uani 1 1 d . . . . .
H89A H 0.145156 0.776336 0.082907 0.097 Uiso 1 1 calc R U . . .
H89B H 0.218713 0.760890 0.131708 0.097 Uiso 1 1 calc R U . . .
H89C H 0.145891 0.706832 0.120524 0.097 Uiso 1 1 calc R U . . .
C45 C 0.3258(6) 0.6877(5) 0.0106(4) 0.062(3) Uani 1 1 d . . . . .
H45 H 0.374604 0.704639 0.002050 0.075 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
Pr1 O3 2.098(4) . ?
Pr1 O4 2.122(4) . ?
Pr1 O2 2.111(4) . ?
Pr1 O1 2.129(5) . ?
Pr1 N2 2.570(5) . ?
Pr1 N1 2.532(5) . ?
Si3 O3 1.609(4) . ?
Si3 C14 1.870(6) . ?
Si3 C60 1.862(7) . ?
Si3 C62 1.861(7) . ?
Si2 O2 1.612(4) . ?
Si2 C18 1.866(7) . ?
Si2 C36 1.873(7) . ?
Si2 C74 1.873(7) . ?
Si1 O1 1.622(5) . ?
Si1 C8 1.871(7) . ?
Si1 C28 1.865(7) . ?
Si1 C32 1.864(7) . ?
Si4 O4 1.615(5) . ?
Si4 C24 1.879(7) . ?
Si4 C26 1.870(7) . ?
Si4 C34 1.860(7) . ?
N2 C1 1.332(7) . ?
N2 C30 1.341(8) . ?
O6 C6 1.346(7) . ?
O6 C41 1.435(9) . ?
O5 C80 1.358(8) . ?
O5 C81 1.438(9) . ?
N1 C12 1.346(7) . ?
N1 C50 1.333(8) . ?
C1 H1 0.9500 . ?
C1 C10 1.355(8) . ?
C4 H4 0.9500 . ?
C4 C60 1.397(9) . ?
C4 C68 1.379(9) . ?
C6 C10 1.384(9) . ?
C6 C52 1.382(9) . ?
C8 C22 1.393(9) . ?
C8 C66 1.387(10) . ?
C10 H10 0.9500 . ?
C12 C30 1.467(9) . ?
C12 C56 1.388(9) . ?
C14 C16 1.396(9) . ?
C14 C38 1.385(9) . ?
C16 H16 0.9500 . ?
C16 C13 1.378(10) . ?
C18 C72 1.401(9) . ?
C18 C78 1.382(10) . ?
C20 H20 0.9500 . ?
C20 C34 1.407(9) . ?
C20 C9 1.388(10) . ?
C22 H22 0.9500 . ?
C22 C37 1.385(10) . ?
C24 C82 1.373(10) . ?
C24 C7 1.405(10) . ?
C26 C54 1.398(10) . ?
C26 C51 1.399(9) . ?
C28 C40 1.398(9) . ?
C28 C44 1.391(9) . ?
C30 C52 1.381(8) . ?
C32 C84 1.397(10) . ?
C32 C29 1.392(9) . ?
C34 C46 1.398(9) . ?
C36 C27 1.394(10) . ?
C36 C35 1.395(10) . ?
C38 H38 0.9500 . ?
C38 C70 1.376(9) . ?
C40 H40 0.9500 . ?
C40 C55 1.376(9) . ?
C42 H42 0.9500 . ?
C42 C46 1.370(10) . ?
C42 C17 1.385(10) . ?
C44 H44 0.9500 . ?
C44 C76 1.378(9) . ?
C46 H46 0.9500 . ?
C48 H48 0.9500 . ?
C48 C74 1.395(10) . ?
C48 C65 1.389(10) . ?
C50 H50 0.9500 . ?
C50 C58 1.378(9) . ?
C52 H52 0.9500 . ?
C54 H54 0.9500 . ?
C54 C59 1.387(9) . ?
C56 H56 0.9500 . ?
C56 C80 1.382(10) . ?
C58 H58 0.9500 . ?
C58 C80 1.383(9) . ?
C60 C88 1.387(10) . ?
C62 C86 1.381(10) . ?
C62 C25 1.399(10) . ?
C64 H64 0.9500 . ?
C64 C78 1.382(10) . ?
C64 C31 1.375(10) . ?
C66 H66 0.9500 . ?
C66 C47 1.392(10) . ?
C68 H68 0.9500 . ?
C68 C49 1.376(10) . ?
C70 H70 0.9500 . ?
C70 C63 1.379(10) . ?
C72 H72 0.9500 . ?
C72 C15 1.388(10) . ?
C74 C23 1.388(9) . ?
C76 H76 0.9500 . ?
C76 C2 1.370(10) . ?
C78 H78 0.9500 . ?
C82 H82 0.9500 . ?
C82 C39 1.386(10) . ?
C84 H84 0.9500 . ?
C84 C75 1.372(10) . ?
C86 H86 0.9500 . ?
C86 C3 1.393(10) . ?
C88 H88 0.9500 . ?
C88 C79 1.384(9) . ?
C90 H90 0.9500 . ?
C90 C91 1.380(11) . ?
C90 C59 1.378(10) . ?
C91 H91 0.9500 . ?
C91 C51 1.384(10) . ?
C23 H23 0.9500 . ?
C23 C53 1.367(10) . ?
C47 H47 0.9500 . ?
C47 C61 1.373(10) . ?
C3 H3 0.9500 . ?
C3 C77 1.380(11) . ?
C49 H49 0.9500 . ?
C49 C79 1.377(10) . ?
C25 H25 0.9500 . ?
C25 C67 1.381(10) . ?
C51 H51 0.9500 . ?
C13 H13 0.9500 . ?
C13 C63 1.363(11) . ?
C53 H53 0.9500 . ?
C53 C33 1.374(11) . ?
C27 H27 0.9500 . ?
C27 C71 1.372(10) . ?
C55 H55 0.9500 . ?
C55 C2 1.388(10) . ?
C7 H7 0.9500 . ?
C7 C69 1.381(10) . ?
C57 H57 0.9500 . ?
C57 C29 1.380(10) . ?
C57 C73 1.368(11) . ?
C29 H29 0.9500 . ?
C59 H59 0.9500 . ?
C15 H15 0.9500 . ?
C15 C31 1.381(11) . ?
C61 H61 0.9500 . ?
C61 C37 1.380(11) . ?
C31 H31 0.9500 . ?
C63 H63 0.9500 . ?
C2 H2 0.9500 . ?
C65 H65 0.9500 . ?
C65 C33 1.375(10) . ?
C33 H33 0.9500 . ?
C67 H67 0.9500 . ?
C67 C77 1.376(11) . ?
C17 H17 0.9500 . ?
C17 C9 1.386(10) . ?
C69 H69 0.9500 . ?
C69 C5 1.380(11) . ?
C35 H35 0.9500 . ?
C35 C83 1.392(10) . ?
C71 H71 0.9500 . ?
C71 C19 1.366(11) . ?
C9 H9 0.9500 . ?
C73 H73 0.9500 . ?
C73 C75 1.378(10) . ?
C37 H37 0.9500 . ?
C75 H75 0.9500 . ?
C19 H19 0.9500 . ?
C19 C83 1.377(12) . ?
C77 H77 0.9500 . ?
C39 H39 0.9500 . ?
C39 C5 1.380(11) . ?
C79 H79 0.9500 . ?
C5 H5 0.9500 . ?
C81 H81A 0.9800 . ?
C81 H81B 0.9800 . ?
C81 H81C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C83 H83 0.9500 . ?
C21 H21 0.9500 . ?
C21 C85 1.404(12) . ?
C21 C87 1.362(13) . ?
C85 C11 1.380(12) . ?
C85 C89 1.483(12) . ?
C43 H43 0.9500 . ?
C43 C87 1.392(14) . ?
C43 C45 1.360(13) . ?
C87 H87 0.9500 . ?
C11 H11 0.9500 . ?
C11 C45 1.389(12) . ?
C89 H89A 0.9800 . ?
C89 H89B 0.9800 . ?
C89 H89C 0.9800 . ?
C45 H45 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
O3 Pr1 O4 95.20(17) . . ?
O3 Pr1 O2 103.85(16) . . ?
O3 Pr1 O1 96.10(17) . . ?
O3 Pr1 N2 87.08(16) . . ?
O3 Pr1 N1 149.76(15) . . ?
O4 Pr1 O1 163.67(16) . . ?
O4 Pr1 N2 80.53(16) . . ?
O4 Pr1 N1 79.01(17) . . ?
O2 Pr1 O4 95.34(17) . . ?
O2 Pr1 O1 93.36(17) . . ?
O2 Pr1 N2 168.69(16) . . ?
O2 Pr1 N1 106.23(16) . . ?
O1 Pr1 N2 88.31(16) . . ?
O1 Pr1 N1 85.30(17) . . ?
N1 Pr1 N2 62.73(15) . . ?
O3 Si3 C14 111.2(3) . . ?
O3 Si3 C60 111.5(3) . . ?
O3 Si3 C62 108.8(3) . . ?
C60 Si3 C14 108.0(3) . . ?
C62 Si3 C14 112.2(3) . . ?
C62 Si3 C60 105.1(3) . . ?
O2 Si2 C18 109.2(3) . . ?
O2 Si2 C36 111.0(3) . . ?
O2 Si2 C74 109.5(2) . . ?
C18 Si2 C36 107.6(3) . . ?
C18 Si2 C74 111.6(3) . . ?
C74 Si2 C36 107.9(3) . . ?
O1 Si1 C8 109.5(3) . . ?
O1 Si1 C28 109.6(3) . . ?
O1 Si1 C32 110.2(3) . . ?
C28 Si1 C8 107.8(3) . . ?
C32 Si1 C8 110.1(3) . . ?
C32 Si1 C28 109.6(3) . . ?
O4 Si4 C24 110.3(3) . . ?
O4 Si4 C26 109.5(3) . . ?
O4 Si4 C34 112.7(3) . . ?
C26 Si4 C24 108.0(3) . . ?
C34 Si4 C24 108.4(3) . . ?
C34 Si4 C26 107.8(3) . . ?
Si3 O3 Pr1 162.8(3) . . ?
Si4 O4 Pr1 160.4(3) . . ?
Si2 O2 Pr1 160.5(3) . . ?
Si1 O1 Pr1 151.1(3) . . ?
C1 N2 Pr1 119.5(4) . . ?
C1 N2 C30 117.6(5) . . ?
C30 N2 Pr1 120.6(4) . . ?
C6 O6 C41 118.0(5) . . ?
C80 O5 C81 117.3(5) . . ?
C12 N1 Pr1 122.3(4) . . ?
C50 N1 Pr1 118.8(4) . . ?
C50 N1 C12 118.6(5) . . ?
N2 C1 H1 117.4 . . ?
N2 C1 C10 125.1(6) . . ?
C10 C1 H1 117.4 . . ?
C60 C4 H4 119.5 . . ?
C68 C4 H4 119.5 . . ?
C68 C4 C60 121.1(7) . . ?
O6 C6 C10 124.7(6) . . ?
O6 C6 C52 116.7(6) . . ?
C52 C6 C10 118.5(5) . . ?
C22 C8 Si1 122.0(6) . . ?
C66 C8 Si1 120.0(5) . . ?
C66 C8 C22 117.9(7) . . ?
C1 C10 C6 117.6(6) . . ?
C1 C10 H10 121.2 . . ?
C6 C10 H10 121.2 . . ?
N1 C12 C30 116.3(5) . . ?
N1 C12 C56 120.7(6) . . ?
C56 C12 C30 123.0(5) . . ?
C16 C14 Si3 119.9(5) . . ?
C38 C14 Si3 123.3(5) . . ?
C38 C14 C16 116.7(6) . . ?
C14 C16 H16 119.4 . . ?
C13 C16 C14 121.2(7) . . ?
C13 C16 H16 119.4 . . ?
C72 C18 Si2 121.7(5) . . ?
C78 C18 Si2 121.2(5) . . ?
C78 C18 C72 117.0(6) . . ?
C34 C20 H20 119.1 . . ?
C9 C20 H20 119.1 . . ?
C9 C20 C34 121.7(7) . . ?
C8 C22 H22 119.6 . . ?
C37 C22 C8 120.9(7) . . ?
C37 C22 H22 119.6 . . ?
C82 C24 Si4 124.0(6) . . ?
C82 C24 C7 117.7(7) . . ?
C7 C24 Si4 118.2(5) . . ?
C54 C26 Si4 120.8(5) . . ?
C54 C26 C51 117.5(6) . . ?
C51 C26 Si4 121.7(5) . . ?
C40 C28 Si1 121.4(5) . . ?
C44 C28 Si1 122.2(5) . . ?
C44 C28 C40 116.4(6) . . ?
N2 C30 C12 116.0(5) . . ?
N2 C30 C52 121.1(6) . . ?
C52 C30 C12 122.9(6) . . ?
C84 C32 Si1 118.4(5) . . ?
C29 C32 Si1 124.5(6) . . ?
C29 C32 C84 117.0(7) . . ?
C20 C34 Si4 123.1(5) . . ?
C46 C34 Si4 120.7(5) . . ?
C46 C34 C20 116.2(6) . . ?
C27 C36 Si2 121.0(6) . . ?
C27 C36 C35 117.1(7) . . ?
C35 C36 Si2 121.8(6) . . ?
C14 C38 H38 118.9 . . ?
C70 C38 C14 122.2(7) . . ?
C70 C38 H38 118.9 . . ?
C28 C40 H40 118.9 . . ?
C55 C40 C28 122.3(6) . . ?
C55 C40 H40 118.9 . . ?
C46 C42 H42 120.0 . . ?
C46 C42 C17 120.0(7) . . ?
C17 C42 H42 120.0 . . ?
C28 C44 H44 119.1 . . ?
C76 C44 C28 121.8(7) . . ?
C76 C44 H44 119.1 . . ?
C34 C46 H46 118.7 . . ?
C42 C46 C34 122.6(6) . . ?
C42 C46 H46 118.7 . . ?
C74 C48 H48 119.5 . . ?
C65 C48 H48 119.5 . . ?
C65 C48 C74 121.0(7) . . ?
N1 C50 H50 118.0 . . ?
N1 C50 C58 124.0(6) . . ?
C58 C50 H50 118.0 . . ?
C6 C52 H52 120.0 . . ?
C30 C52 C6 120.0(6) . . ?
C30 C52 H52 120.0 . . ?
C26 C54 H54 119.5 . . ?
C59 C54 C26 121.0(7) . . ?
C59 C54 H54 119.5 . . ?
C12 C56 H56 120.0 . . ?
C80 C56 C12 120.0(6) . . ?
C80 C56 H56 120.0 . . ?
C50 C58 H58 121.2 . . ?
C50 C58 C80 117.6(6) . . ?
C80 C58 H58 121.2 . . ?
C4 C60 Si3 121.0(5) . . ?
C88 C60 Si3 121.2(5) . . ?
C88 C60 C4 117.4(6) . . ?
C86 C62 Si3 120.5(5) . . ?
C86 C62 C25 118.0(6) . . ?
C25 C62 Si3 121.0(5) . . ?
C78 C64 H64 120.2 . . ?
C31 C64 H64 120.2 . . ?
C31 C64 C78 119.5(7) . . ?
C8 C66 H66 119.4 . . ?
C8 C66 C47 121.2(7) . . ?
C47 C66 H66 119.4 . . ?
C4 C68 H68 120.0 . . ?
C49 C68 C4 119.9(7) . . ?
C49 C68 H68 120.0 . . ?
C38 C70 H70 120.2 . . ?
C38 C70 C63 119.6(7) . . ?
C63 C70 H70 120.2 . . ?
C18 C72 H72 119.6 . . ?
C15 C72 C18 120.8(7) . . ?
C15 C72 H72 119.6 . . ?
C48 C74 Si2 122.6(5) . . ?
C23 C74 Si2 119.5(6) . . ?
C23 C74 C48 117.4(7) . . ?
C44 C76 H76 119.8 . . ?
C2 C76 C44 120.5(7) . . ?
C2 C76 H76 119.8 . . ?
C18 C78 C64 122.5(7) . . ?
C18 C78 H78 118.7 . . ?
C64 C78 H78 118.7 . . ?
O5 C80 C56 116.2(6) . . ?
O5 C80 C58 124.6(7) . . ?
C56 C80 C58 119.1(6) . . ?
C24 C82 H82 119.0 . . ?
C24 C82 C39 122.1(7) . . ?
C39 C82 H82 119.0 . . ?
C32 C84 H84 119.2 . . ?
C75 C84 C32 121.5(7) . . ?
C75 C84 H84 119.2 . . ?
C62 C86 H86 119.3 . . ?
C62 C86 C3 121.4(7) . . ?
C3 C86 H86 119.3 . . ?
C60 C88 H88 119.0 . . ?
C79 C88 C60 122.0(7) . . ?
C79 C88 H88 119.0 . . ?
C91 C90 H90 120.2 . . ?
C59 C90 H90 120.2 . . ?
C59 C90 C91 119.5(7) . . ?
C90 C91 H91 119.9 . . ?
C90 C91 C51 120.3(7) . . ?
C51 C91 H91 119.9 . . ?
C74 C23 H23 119.1 . . ?
C53 C23 C74 121.7(7) . . ?
C53 C23 H23 119.1 . . ?
C66 C47 H47 120.0 . . ?
C61 C47 C66 120.0(7) . . ?
C61 C47 H47 120.0 . . ?
C86 C3 H3 120.4 . . ?
C77 C3 C86 119.2(7) . . ?
C77 C3 H3 120.4 . . ?
C68 C49 H49 119.7 . . ?
C68 C49 C79 120.5(6) . . ?
C79 C49 H49 119.7 . . ?
C62 C25 H25 119.4 . . ?
C67 C25 C62 121.1(7) . . ?
C67 C25 H25 119.4 . . ?
C26 C51 H51 119.4 . . ?
C91 C51 C26 121.2(7) . . ?
C91 C51 H51 119.4 . . ?
C16 C13 H13 119.7 . . ?
C63 C13 C16 120.6(7) . . ?
C63 C13 H13 119.7 . . ?
C23 C53 H53 119.9 . . ?
C23 C53 C33 120.3(7) . . ?
C33 C53 H53 119.9 . . ?
C36 C27 H27 119.0 . . ?
C71 C27 C36 121.9(8) . . ?
C71 C27 H27 119.0 . . ?
C40 C55 H55 120.3 . . ?
C40 C55 C2 119.4(7) . . ?
C2 C55 H55 120.3 . . ?
C24 C7 H7 119.7 . . ?
C69 C7 C24 120.7(7) . . ?
C69 C7 H7 119.7 . . ?
C29 C57 H57 119.8 . . ?
C73 C57 H57 119.8 . . ?
C73 C57 C29 120.4(7) . . ?
C32 C29 H29 119.4 . . ?
C57 C29 C32 121.2(7) . . ?
C57 C29 H29 119.4 . . ?
C54 C59 H59 119.8 . . ?
C90 C59 C54 120.5(7) . . ?
C90 C59 H59 119.8 . . ?
C72 C15 H15 119.9 . . ?
C31 C15 C72 120.3(7) . . ?
C31 C15 H15 119.9 . . ?
C47 C61 H61 120.2 . . ?
C47 C61 C37 119.6(7) . . ?
C37 C61 H61 120.2 . . ?
C64 C31 C15 119.8(7) . . ?
C64 C31 H31 120.1 . . ?
C15 C31 H31 120.1 . . ?
C70 C63 H63 120.2 . . ?
C13 C63 C70 119.7(7) . . ?
C13 C63 H63 120.2 . . ?
C76 C2 C55 119.5(7) . . ?
C76 C2 H2 120.2 . . ?
C55 C2 H2 120.2 . . ?
C48 C65 H65 120.1 . . ?
C33 C65 C48 119.8(7) . . ?
C33 C65 H65 120.1 . . ?
C53 C33 C65 119.9(7) . . ?
C53 C33 H33 120.1 . . ?
C65 C33 H33 120.1 . . ?
C25 C67 H67 120.2 . . ?
C77 C67 C25 119.7(7) . . ?
C77 C67 H67 120.2 . . ?
C42 C17 H17 120.2 . . ?
C42 C17 C9 119.6(7) . . ?
C9 C17 H17 120.2 . . ?
C7 C69 H69 119.9 . . ?
C5 C69 C7 120.3(7) . . ?
C5 C69 H69 119.9 . . ?
C36 C35 H35 119.7 . . ?
C83 C35 C36 120.7(8) . . ?
C83 C35 H35 119.7 . . ?
C27 C71 H71 119.8 . . ?
C19 C71 C27 120.3(8) . . ?
C19 C71 H71 119.8 . . ?
C20 C9 H9 120.1 . . ?
C17 C9 C20 119.8(7) . . ?
C17 C9 H9 120.1 . . ?
C57 C73 H73 120.2 . . ?
C57 C73 C75 119.7(7) . . ?
C75 C73 H73 120.2 . . ?
C22 C37 H37 119.8 . . ?
C61 C37 C22 120.4(7) . . ?
C61 C37 H37 119.8 . . ?
C84 C75 C73 120.1(8) . . ?
C84 C75 H75 119.9 . . ?
C73 C75 H75 119.9 . . ?
C71 C19 H19 120.2 . . ?
C71 C19 C83 119.7(8) . . ?
C83 C19 H19 120.2 . . ?
C3 C77 H77 119.7 . . ?
C67 C77 C3 120.6(7) . . ?
C67 C77 H77 119.7 . . ?
C82 C39 H39 120.3 . . ?
C5 C39 C82 119.4(8) . . ?
C5 C39 H39 120.3 . . ?
C88 C79 H79 120.5 . . ?
C49 C79 C88 119.1(7) . . ?
C49 C79 H79 120.5 . . ?
C69 C5 C39 119.9(7) . . ?
C69 C5 H5 120.1 . . ?
C39 C5 H5 120.1 . . ?
O5 C81 H81A 109.5 . . ?
O5 C81 H81B 109.5 . . ?
O5 C81 H81C 109.5 . . ?
H81A C81 H81B 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
O6 C41 H41A 109.5 . . ?
O6 C41 H41B 109.5 . . ?
O6 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C35 C83 H83 119.9 . . ?
C19 C83 C35 120.3(8) . . ?
C19 C83 H83 119.9 . . ?
C85 C21 H21 119.6 . . ?
C87 C21 H21 119.6 . . ?
C87 C21 C85 120.8(10) . . ?
C21 C85 C89 121.2(9) . . ?
C11 C85 C21 118.2(9) . . ?
C11 C85 C89 120.5(8) . . ?
C87 C43 H43 120.7 . . ?
C45 C43 H43 120.7 . . ?
C45 C43 C87 118.7(10) . . ?
C21 C87 C43 120.7(9) . . ?
C21 C87 H87 119.6 . . ?
C43 C87 H87 119.6 . . ?
C85 C11 H11 119.9 . . ?
C85 C11 C45 120.1(9) . . ?
C45 C11 H11 119.9 . . ?
C85 C89 H89A 109.5 . . ?
C85 C89 H89B 109.5 . . ?
C85 C89 H89C 109.5 . . ?
H89A C89 H89B 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
C43 C45 C11 121.4(10) . . ?
C43 C45 H45 119.3 . . ?
C11 C45 H45 119.3 . . ?

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
Pr1 N2 C1 C10 -162.1(5) . . . . ?
Pr1 N2 C30 C12 -16.1(8) . . . . ?
Pr1 N2 C30 C52 163.7(5) . . . . ?
Pr1 N1 C12 C30 4.2(8) . . . . ?
Pr1 N1 C12 C56 -174.1(5) . . . . ?
Pr1 N1 C50 C58 173.4(5) . . . . ?
Si3 C14 C16 C13 -176.4(6) . . . . ?
Si3 C14 C38 C70 175.6(5) . . . . ?
Si3 C60 C88 C79 -169.9(6) . . . . ?
Si3 C62 C86 C3 -171.2(5) . . . . ?
Si3 C62 C25 C67 171.0(5) . . . . ?
Si2 C18 C72 C15 174.3(6) . . . . ?
Si2 C18 C78 C64 -173.9(6) . . . . ?
Si2 C36 C27 C71 174.3(5) . . . . ?
Si2 C36 C35 C83 -175.0(6) . . . . ?
Si2 C74 C23 C53 -172.4(6) . . . . ?
Si1 C8 C22 C37 176.1(5) . . . . ?
Si1 C8 C66 C47 -176.4(5) . . . . ?
Si1 C28 C40 C55 -178.7(6) . . . . ?
Si1 C28 C44 C76 -179.7(6) . . . . ?
Si1 C32 C84 C75 -176.4(5) . . . . ?
Si1 C32 C29 C57 175.8(5) . . . . ?
Si4 C24 C82 C39 -176.4(6) . . . . ?
Si4 C24 C7 C69 176.0(5) . . . . ?
Si4 C26 C54 C59 -177.8(5) . . . . ?
Si4 C26 C51 C91 177.5(5) . . . . ?
Si4 C34 C46 C42 179.2(5) . . . . ?
O3 Si3 C14 C16 75.1(6) . . . . ?
O3 Si3 C14 C38 -101.6(6) . . . . ?
O3 Si3 C60 C4 33.6(6) . . . . ?
O3 Si3 C60 C88 -154.7(5) . . . . ?
O3 Si3 C62 C86 -9.4(6) . . . . ?
O3 Si3 C62 C25 179.4(5) . . . . ?
O4 Si4 C24 C82 -147.5(6) . . . . ?
O4 Si4 C24 C7 36.3(6) . . . . ?
O4 Si4 C26 C54 -3.7(6) . . . . ?
O4 Si4 C26 C51 177.1(5) . . . . ?
O4 Si4 C34 C20 -107.9(6) . . . . ?
O4 Si4 C34 C46 72.8(6) . . . . ?
O2 Si2 C18 C72 177.3(5) . . . . ?
O2 Si2 C18 C78 -5.4(7) . . . . ?
O2 Si2 C36 C27 25.7(6) . . . . ?
O2 Si2 C36 C35 -159.2(5) . . . . ?
O2 Si2 C74 C48 -91.4(5) . . . . ?
O2 Si2 C74 C23 80.1(6) . . . . ?
O1 Si1 C8 C22 -109.6(6) . . . . ?
O1 Si1 C8 C66 66.1(6) . . . . ?
O1 Si1 C28 C40 175.7(6) . . . . ?
O1 Si1 C28 C44 -2.4(7) . . . . ?
O1 Si1 C32 C84 -9.0(6) . . . . ?
O1 Si1 C32 C29 173.1(5) . . . . ?
N2 C1 C10 C6 -0.4(10) . . . . ?
N2 C30 C52 C6 -3.2(10) . . . . ?
O6 C6 C10 C1 176.3(6) . . . . ?
O6 C6 C52 C30 -174.7(6) . . . . ?
N1 C12 C30 N2 7.8(9) . . . . ?
N1 C12 C30 C52 -171.9(6) . . . . ?
N1 C12 C56 C80 -0.1(10) . . . . ?
N1 C50 C58 C80 1.7(10) . . . . ?
C1 N2 C30 C12 -178.7(6) . . . . ?
C1 N2 C30 C52 1.1(9) . . . . ?
C4 C60 C88 C79 2.1(11) . . . . ?
C4 C68 C49 C79 0.6(11) . . . . ?
C8 Si1 O1 Pr1 19.4(7) . . . . ?
C8 Si1 C28 C40 -65.2(6) . . . . ?
C8 Si1 C28 C44 116.7(6) . . . . ?
C8 Si1 C32 C84 -129.9(5) . . . . ?
C8 Si1 C32 C29 52.3(6) . . . . ?
C8 C22 C37 C61 -0.3(11) . . . . ?
C8 C66 C47 C61 0.6(10) . . . . ?
C10 C6 C52 C30 3.5(10) . . . . ?
C12 N1 C50 C58 -1.3(10) . . . . ?
C12 C30 C52 C6 176.6(6) . . . . ?
C12 C56 C80 O5 179.1(6) . . . . ?
C12 C56 C80 C58 0.5(10) . . . . ?
C14 Si3 O3 Pr1 -94.8(9) . . . . ?
C14 Si3 C60 C4 156.0(6) . . . . ?
C14 Si3 C60 C88 -32.3(7) . . . . ?
C14 Si3 C62 C86 -132.9(5) . . . . ?
C14 Si3 C62 C25 55.9(6) . . . . ?
C14 C16 C13 C63 0.0(12) . . . . ?
C14 C38 C70 C63 1.4(11) . . . . ?
C16 C14 C38 C70 -1.3(10) . . . . ?
C16 C13 C63 C70 0.1(12) . . . . ?
C18 Si2 O2 Pr1 -152.4(8) . . . . ?
C18 Si2 C36 C27 -93.7(6) . . . . ?
C18 Si2 C36 C35 81.4(6) . . . . ?
C18 Si2 C74 C48 29.6(6) . . . . ?
C18 Si2 C74 C23 -158.9(5) . . . . ?
C18 C72 C15 C31 1.3(11) . . . . ?
C20 C34 C46 C42 -0.1(10) . . . . ?
C22 C8 C66 C47 -0.5(10) . . . . ?
C24 Si4 O4 Pr1 112.8(7) . . . . ?
C24 Si4 C26 C54 116.5(6) . . . . ?
C24 Si4 C26 C51 -62.7(6) . . . . ?
C24 Si4 C34 C20 129.7(5) . . . . ?
C24 Si4 C34 C46 -49.6(6) . . . . ?
C24 C82 C39 C5 0.1(12) . . . . ?
C24 C7 C69 C5 1.1(11) . . . . ?
C26 Si4 O4 Pr1 -128.5(7) . . . . ?
C26 Si4 C24 C82 92.9(6) . . . . ?
C26 Si4 C24 C7 -83.3(6) . . . . ?
C26 Si4 C34 C20 13.1(6) . . . . ?
C26 Si4 C34 C46 -166.2(5) . . . . ?
C26 C54 C59 C90 0.0(11) . . . . ?
C28 Si1 O1 Pr1 137.5(6) . . . . ?
C28 Si1 C8 C22 131.2(6) . . . . ?
C28 Si1 C8 C66 -53.1(6) . . . . ?
C28 Si1 C32 C84 111.7(5) . . . . ?
C28 Si1 C32 C29 -66.2(6) . . . . ?
C28 C40 C55 C2 -1.6(12) . . . . ?
C28 C44 C76 C2 -1.5(12) . . . . ?
C30 N2 C1 C10 0.8(9) . . . . ?
C30 C12 C56 C80 -178.2(6) . . . . ?
C32 Si1 O1 Pr1 -101.9(6) . . . . ?
C32 Si1 C8 C22 11.7(6) . . . . ?
C32 Si1 C8 C66 -172.6(5) . . . . ?
C32 Si1 C28 C40 54.7(7) . . . . ?
C32 Si1 C28 C44 -123.4(6) . . . . ?
C32 C84 C75 C73 -1.3(11) . . . . ?
C34 Si4 O4 Pr1 -8.5(8) . . . . ?
C34 Si4 C24 C82 -23.7(7) . . . . ?
C34 Si4 C24 C7 160.2(5) . . . . ?
C34 Si4 C26 C54 -126.6(6) . . . . ?
C34 Si4 C26 C51 54.2(6) . . . . ?
C34 C20 C9 C17 -0.1(11) . . . . ?
C36 Si2 O2 Pr1 89.2(9) . . . . ?
C36 Si2 C18 C72 -62.1(7) . . . . ?
C36 Si2 C18 C78 115.2(6) . . . . ?
C36 Si2 C74 C48 147.6(5) . . . . ?
C36 Si2 C74 C23 -40.9(6) . . . . ?
C36 C27 C71 C19 0.9(11) . . . . ?
C36 C35 C83 C19 0.5(11) . . . . ?
C38 C14 C16 C13 0.6(10) . . . . ?
C38 C70 C63 C13 -0.8(12) . . . . ?
C40 C28 C44 C76 2.0(11) . . . . ?
C40 C55 C2 C76 2.1(11) . . . . ?
C42 C17 C9 C20 -1.5(11) . . . . ?
C44 C28 C40 C55 -0.5(11) . . . . ?
C44 C76 C2 C55 -0.6(11) . . . . ?
C46 C42 C17 C9 2.2(11) . . . . ?
C48 C74 C23 C53 -0.4(10) . . . . ?
C48 C65 C33 C53 0.8(10) . . . . ?
C50 N1 C12 C30 178.7(6) . . . . ?
C50 N1 C12 C56 0.4(9) . . . . ?
C50 C58 C80 O5 -179.7(6) . . . . ?
C50 C58 C80 C56 -1.2(10) . . . . ?
C52 C6 C10 C1 -1.8(9) . . . . ?
C54 C26 C51 C91 -1.8(10) . . . . ?
C56 C12 C30 N2 -173.9(6) . . . . ?
C56 C12 C30 C52 6.3(10) . . . . ?
C60 Si3 O3 Pr1 25.8(10) . . . . ?
C60 Si3 C14 C16 -47.5(6) . . . . ?
C60 Si3 C14 C38 135.8(6) . . . . ?
C60 Si3 C62 C86 110.1(5) . . . . ?
C60 Si3 C62 C25 -61.1(6) . . . . ?
C60 C4 C68 C49 0.5(11) . . . . ?
C60 C88 C79 C49 -1.0(11) . . . . ?
C62 Si3 O3 Pr1 141.2(8) . . . . ?
C62 Si3 C14 C16 -162.8(5) . . . . ?
C62 Si3 C14 C38 20.5(7) . . . . ?
C62 Si3 C60 C4 -84.1(6) . . . . ?
C62 Si3 C60 C88 87.6(6) . . . . ?
C62 C86 C3 C77 0.8(11) . . . . ?
C62 C25 C67 C77 -0.3(10) . . . . ?
C66 C8 C22 C37 0.3(10) . . . . ?
C66 C47 C61 C37 -0.5(11) . . . . ?
C68 C4 C60 Si3 170.1(6) . . . . ?
C68 C4 C60 C88 -1.9(10) . . . . ?
C68 C49 C79 C88 -0.4(11) . . . . ?
C72 C18 C78 C64 3.5(11) . . . . ?
C72 C15 C31 C64 0.3(12) . . . . ?
C74 Si2 O2 Pr1 -29.9(9) . . . . ?
C74 Si2 C18 C72 56.1(6) . . . . ?
C74 Si2 C18 C78 -126.6(6) . . . . ?
C74 Si2 C36 C27 145.7(5) . . . . ?
C74 Si2 C36 C35 -39.2(6) . . . . ?
C74 C48 C65 C33 -0.6(10) . . . . ?
C74 C23 C53 C33 0.6(11) . . . . ?
C78 C18 C72 C15 -3.1(10) . . . . ?
C78 C64 C31 C15 0.1(11) . . . . ?
C82 C24 C7 C69 -0.4(10) . . . . ?
C82 C39 C5 C69 0.6(11) . . . . ?
C84 C32 C29 C57 -2.1(9) . . . . ?
C86 C62 C25 C67 -0.4(10) . . . . ?
C86 C3 C77 C67 -1.6(11) . . . . ?
C90 C91 C51 C26 0.7(11) . . . . ?
C91 C90 C59 C54 -1.1(11) . . . . ?
C23 C53 C33 C65 -0.8(11) . . . . ?
C47 C61 C37 C22 0.4(11) . . . . ?
C25 C62 C86 C3 0.2(10) . . . . ?
C25 C67 C77 C3 1.4(11) . . . . ?
C51 C26 C54 C59 1.5(10) . . . . ?
C27 C36 C35 C83 0.3(10) . . . . ?
C27 C71 C19 C83 0.0(12) . . . . ?
C7 C24 C82 C39 -0.2(11) . . . . ?
C7 C69 C5 C39 -1.2(11) . . . . ?
C57 C73 C75 C84 1.3(11) . . . . ?
C29 C32 C84 C75 1.7(10) . . . . ?
C29 C57 C73 C75 -1.7(10) . . . . ?
C59 C90 C91 C51 0.8(11) . . . . ?
C31 C64 C78 C18 -2.1(12) . . . . ?
C65 C48 C74 Si2 172.1(5) . . . . ?
C65 C48 C74 C23 0.4(9) . . . . ?
C17 C42 C46 C34 -1.4(11) . . . . ?
C35 C36 C27 C71 -1.0(10) . . . . ?
C71 C19 C83 C35 -0.7(12) . . . . ?
C9 C20 C34 Si4 -178.4(5) . . . . ?
C9 C20 C34 C46 0.9(10) . . . . ?
C73 C57 C29 C32 2.2(10) . . . . ?
C81 O5 C80 C56 -175.4(6) . . . . ?
C81 O5 C80 C58 3.1(10) . . . . ?
C41 O6 C6 C10 -2.2(9) . . . . ?
C41 O6 C6 C52 175.9(6) . . . . ?
C21 C85 C11 C45 -0.8(11) . . . . ?
C85 C21 C87 C43 0.8(13) . . . . ?
C85 C11 C45 C43 1.8(12) . . . . ?
C87 C21 C85 C11 -0.5(12) . . . . ?
C87 C21 C85 C89 178.7(8) . . . . ?
C87 C43 C45 C11 -1.6(13) . . . . ?
C89 C85 C11 C45 180.0(7) . . . . ?
C45 C43 C87 C21 0.2(13) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
