# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 1952738'
loop_
_audit_author_name
_audit_author_address
'Felicitas Lips'
;Westfaelische Wilhelms Universitaet Muenster
Germany
;
_audit_update_record             
;
2019-09-10 deposited with the CCDC.	2019-09-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C56 H81 N2 O P Si3'
_chemical_formula_weight         913.46

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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   13.9104(9)
_cell_length_b                   21.1124(7)
_cell_length_c                   17.7837(7)
_cell_angle_alpha                90
_cell_angle_beta                 90.887(4)
_cell_angle_gamma                90
_cell_volume                     5222.1(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9972
_cell_measurement_theta_min      2.42
_cell_measurement_theta_max      27.11

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.162
_exptl_crystal_F_000             1984
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.622
_exptl_crystal_size_mid          0.528
_exptl_crystal_size_min          0.190
_exptl_absorpt_coefficient_mu    0.161
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6359
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            68237
_diffrn_reflns_av_unetI/netI     0.0260
_diffrn_reflns_av_R_equivalents  0.0417
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.497
_diffrn_reflns_theta_max         27.145
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             11547
_reflns_number_gt                10371
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0637P)²+6.5429P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         11547
_refine_ls_number_parameters     581
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0543
_refine_ls_R_factor_gt           0.0492
_refine_ls_wR_factor_ref         0.1359
_refine_ls_wR_factor_gt          0.1311
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_restrained_S_all      1.040
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
P1 P 0.70700(3) 0.52274(2) 0.84164(2) 0.01378(10) Uani 1 1 d . . . . .
Si1 Si 0.79562(3) 0.47164(2) 0.75412(3) 0.01376(11) Uani 1 1 d . . . . .
Si2 Si 0.60029(3) 0.54394(2) 0.74636(3) 0.01290(11) Uani 1 1 d . . . . .
Si3 Si 0.58204(3) 0.42846(2) 0.76597(3) 0.01187(11) Uani 1 1 d . . . . .
O1 O 0.3759(2) 0.13592(14) 0.89239(15) 0.0821(8) Uani 1 1 d . . . . .
N1 N 0.98274(11) 0.51527(8) 0.82912(9) 0.0197(3) Uani 1 1 d . . . . .
N2 N 0.98700(11) 0.42051(8) 0.78285(9) 0.0185(3) Uani 1 1 d . . . . .
C1 C 0.70190(12) 0.43302(8) 0.82271(9) 0.0128(3) Uani 1 1 d . . . . .
C2 C 0.72392(12) 0.39262(8) 0.89503(9) 0.0146(3) Uani 1 1 d . . . . .
C3 C 0.65076(15) 0.40428(10) 0.95720(10) 0.0236(4) Uani 1 1 d . . . . .
H3A H 0.6496 0.4486 0.9694 0.035 Uiso 1 1 calc R U . . .
H3B H 0.5881 0.3912 0.9400 0.035 Uiso 1 1 calc R U . . .
H3C H 0.6688 0.3804 1.0011 0.035 Uiso 1 1 calc R U . . .
C4 C 0.82230(14) 0.40829(9) 0.93059(10) 0.0202(4) Uani 1 1 d . . . . .
H4A H 0.8249 0.4525 0.9428 0.030 Uiso 1 1 calc R U . . .
H4B H 0.8315 0.3837 0.9755 0.030 Uiso 1 1 calc R U . . .
H4C H 0.8720 0.3984 0.8956 0.030 Uiso 1 1 calc R U . . .
C5 C 0.72413(14) 0.32197(9) 0.87687(11) 0.0202(4) Uani 1 1 d . . . . .
H5A H 0.7696 0.3137 0.8380 0.030 Uiso 1 1 calc R U . . .
H5B H 0.7418 0.2985 0.9212 0.030 Uiso 1 1 calc R U . . .
H5C H 0.6611 0.3093 0.8600 0.030 Uiso 1 1 calc R U . . .
C6 C 0.92623(13) 0.46884(9) 0.79951(10) 0.0168(3) Uani 1 1 d . . . . .
C7 C 1.07894(13) 0.49604(11) 0.83067(11) 0.0245(4) Uani 1 1 d . . . . .
C8 C 1.08125(13) 0.43693(11) 0.80193(11) 0.0246(4) Uani 1 1 d . . . . .
C9 C 0.94405(14) 0.57616(9) 0.85770(13) 0.0259(4) Uani 1 1 d . . . . .
H9 H 0.8742 0.5740 0.8498 0.031 Uiso 1 1 calc R U . . .
C10 C 0.9774(2) 0.63270(13) 0.8134(2) 0.0542(8) Uani 1 1 d . . . . .
H10A H 0.9504 0.6706 0.8342 0.081 Uiso 1 1 calc R U . . .
H10B H 1.0463 0.6351 0.8160 0.081 Uiso 1 1 calc R U . . .
H10C H 0.9568 0.6284 0.7619 0.081 Uiso 1 1 calc R U . . .
C11 C 0.9598(2) 0.58300(13) 0.94202(15) 0.0424(6) Uani 1 1 d . . . . .
H11A H 0.9340 0.6228 0.9584 0.064 Uiso 1 1 calc R U . . .
H11B H 0.9280 0.5490 0.9674 0.064 Uiso 1 1 calc R U . . .
H11C H 1.0275 0.5816 0.9535 0.064 Uiso 1 1 calc R U . . .
C12 C 1.16200(15) 0.53497(13) 0.85876(14) 0.0344(5) Uani 1 1 d . . . . .
H12A H 1.2204 0.5111 0.8542 0.052 Uiso 1 1 calc R U . . .
H12B H 1.1525 0.5457 0.9106 0.052 Uiso 1 1 calc R U . . .
H12C H 1.1663 0.5730 0.8295 0.052 Uiso 1 1 calc R U . . .
C13 C 1.16635(15) 0.39504(14) 0.79065(14) 0.0385(6) Uani 1 1 d . . . . .
H13A H 1.2242 0.4181 0.8022 0.058 Uiso 1 1 calc R U . . .
H13B H 1.1675 0.3811 0.7393 0.058 Uiso 1 1 calc R U . . .
H13C H 1.1621 0.3589 0.8232 0.058 Uiso 1 1 calc R U . . .
C14 C 0.95284(13) 0.36051(9) 0.74922(10) 0.0201(4) Uani 1 1 d . . . . .
H14 H 0.8824 0.3622 0.7493 0.024 Uiso 1 1 calc R U . . .
C15 C 0.98200(15) 0.35551(11) 0.66722(11) 0.0288(5) Uani 1 1 d . . . . .
H15A H 0.9590 0.3162 0.6466 0.043 Uiso 1 1 calc R U . . .
H15B H 0.9545 0.3901 0.6393 0.043 Uiso 1 1 calc R U . . .
H15C H 1.0508 0.3570 0.6641 0.043 Uiso 1 1 calc R U . . .
C16 C 0.98178(16) 0.30257(10) 0.79547(12) 0.0296(5) Uani 1 1 d . . . . .
H16A H 0.9579 0.2650 0.7712 0.044 Uiso 1 1 calc R U . . .
H16B H 1.0506 0.3004 0.7996 0.044 Uiso 1 1 calc R U . . .
H16C H 0.9551 0.3058 0.8448 0.044 Uiso 1 1 calc R U . . .
C17 C 0.49668(12) 0.60373(8) 0.76046(10) 0.0164(3) Uani 1 1 d . . . . .
C18 C 0.42957(14) 0.61107(9) 0.70010(11) 0.0209(4) Uani 1 1 d . . . . .
C19 C 0.34925(14) 0.64992(10) 0.70728(12) 0.0253(4) Uani 1 1 d . . . . .
H19 H 0.3060 0.6533 0.6671 0.030 Uiso 1 1 calc R U . . .
C20 C 0.33194(14) 0.68375(10) 0.77275(12) 0.0257(4) Uani 1 1 d . . . . .
C21 C 0.39951(14) 0.67897(9) 0.83049(11) 0.0214(4) Uani 1 1 d . . . . .
H21 H 0.3904 0.7023 0.8742 0.026 Uiso 1 1 calc R U . . .
C22 C 0.48091(13) 0.64042(9) 0.82564(10) 0.0177(4) Uani 1 1 d . . . . .
C23 C 0.44212(15) 0.57855(11) 0.62531(11) 0.0266(4) Uani 1 1 d . . . . .
H23A H 0.4599 0.5351 0.6335 0.040 Uiso 1 1 calc R U . . .
H23B H 0.4916 0.5996 0.5978 0.040 Uiso 1 1 calc R U . . .
H23C H 0.3828 0.5803 0.5971 0.040 Uiso 1 1 calc R U . . .
C24 C 0.24333(16) 0.72423(12) 0.78055(15) 0.0375(5) Uani 1 1 d . . . . .
H24A H 0.1887 0.7022 0.7599 0.056 Uiso 1 1 calc R U . . .
H24B H 0.2520 0.7633 0.7539 0.056 Uiso 1 1 calc R U . . .
H24C H 0.2330 0.7330 0.8328 0.056 Uiso 1 1 calc R U . . .
C25 C 0.54653(14) 0.64216(9) 0.89405(10) 0.0204(4) Uani 1 1 d . . . . .
H25A H 0.5982 0.6126 0.8876 0.031 Uiso 1 1 calc R U . . .
H25B H 0.5108 0.6309 0.9378 0.031 Uiso 1 1 calc R U . . .
H25C H 0.5722 0.6841 0.9002 0.031 Uiso 1 1 calc R U . . .
C26 C 0.67421(12) 0.58050(8) 0.66658(10) 0.0150(3) Uani 1 1 d . . . . .
C27 C 0.68660(13) 0.55574(9) 0.59364(10) 0.0177(4) Uani 1 1 d . . . . .
C28 C 0.75029(14) 0.58457(9) 0.54409(11) 0.0209(4) Uani 1 1 d . . . . .
H28 H 0.7570 0.5675 0.4963 0.025 Uiso 1 1 calc R U . . .
C29 C 0.80353(14) 0.63733(9) 0.56337(12) 0.0235(4) Uani 1 1 d . . . . .
C30 C 0.79176(14) 0.66186(9) 0.63489(12) 0.0218(4) Uani 1 1 d . . . . .
H30 H 0.8277 0.6970 0.6495 0.026 Uiso 1 1 calc R U . . .
C31 C 0.72801(13) 0.63557(8) 0.68554(10) 0.0170(3) Uani 1 1 d . . . . .
C32 C 0.63620(16) 0.49758(10) 0.56480(11) 0.0257(4) Uani 1 1 d . . . . .
H32A H 0.5936 0.4819 0.6025 0.039 Uiso 1 1 calc R U . . .
H32B H 0.6829 0.4656 0.5534 0.039 Uiso 1 1 calc R U . . .
H32C H 0.5999 0.5079 0.5201 0.039 Uiso 1 1 calc R U . . .
C33 C 0.87082(19) 0.66833(12) 0.50850(15) 0.0384(6) Uani 1 1 d . . . . .
H33A H 0.9227 0.6883 0.5357 0.058 Uiso 1 1 calc R U . . .
H33B H 0.8363 0.6996 0.4796 0.058 Uiso 1 1 calc R U . . .
H33C H 0.8962 0.6368 0.4753 0.058 Uiso 1 1 calc R U . . .
C34 C 0.72039(14) 0.66837(9) 0.76073(11) 0.0211(4) Uani 1 1 d . . . . .
H34A H 0.6547 0.6801 0.7690 0.032 Uiso 1 1 calc R U . . .
H34B H 0.7599 0.7057 0.7611 0.032 Uiso 1 1 calc R U . . .
H34C H 0.7417 0.6402 0.7999 0.032 Uiso 1 1 calc R U . . .
C35 C 0.48269(12) 0.39284(8) 0.82935(10) 0.0145(3) Uani 1 1 d . . . . .
C36 C 0.43044(13) 0.43011(9) 0.88047(10) 0.0174(3) Uani 1 1 d . . . . .
C37 C 0.36147(13) 0.40391(9) 0.92705(10) 0.0191(4) Uani 1 1 d . . . . .
H37 H 0.3279 0.4301 0.9594 0.023 Uiso 1 1 calc R U . . .
C38 C 0.34177(13) 0.33947(10) 0.92617(11) 0.0209(4) Uani 1 1 d . . . . .
C39 C 0.39309(13) 0.30233(9) 0.87704(11) 0.0197(4) Uani 1 1 d . . . . .
H39 H 0.3816 0.2589 0.8763 0.024 Uiso 1 1 calc R U . . .
C40 C 0.46161(12) 0.32704(9) 0.82835(10) 0.0161(3) Uani 1 1 d . . . . .
C41 C 0.44745(17) 0.49977(10) 0.88754(13) 0.0293(5) Uani 1 1 d . . . . .
H41A H 0.4961 0.5125 0.8530 0.044 Uiso 1 1 calc R U . . .
H41B H 0.3889 0.5221 0.8762 0.044 Uiso 1 1 calc R U . . .
H41C H 0.4683 0.5095 0.9380 0.044 Uiso 1 1 calc R U . . .
C42 C 0.26664(16) 0.31113(12) 0.97634(13) 0.0314(5) Uani 1 1 d . . . . .
H42A H 0.2574 0.3382 1.0190 0.047 Uiso 1 1 calc R U . . .
H42B H 0.2876 0.2701 0.9933 0.047 Uiso 1 1 calc R U . . .
H42C H 0.2071 0.3070 0.9487 0.047 Uiso 1 1 calc R U . . .
C43 C 0.50635(14) 0.27828(9) 0.77718(11) 0.0197(4) Uani 1 1 d . . . . .
H43A H 0.5719 0.2897 0.7679 0.030 Uiso 1 1 calc R U . . .
H43B H 0.4710 0.2768 0.7304 0.030 Uiso 1 1 calc R U . . .
H43C H 0.5045 0.2374 0.8008 0.030 Uiso 1 1 calc R U . . .
C44 C 0.55701(12) 0.38258(8) 0.67430(10) 0.0140(3) Uani 1 1 d . . . . .
C45 C 0.46214(13) 0.38756(9) 0.64472(10) 0.0171(3) Uani 1 1 d . . . . .
C46 C 0.43521(14) 0.35455(9) 0.57975(11) 0.0210(4) Uani 1 1 d . . . . .
H46 H 0.3726 0.3589 0.5613 0.025 Uiso 1 1 calc R U . . .
C47 C 0.49812(15) 0.31569(9) 0.54180(11) 0.0231(4) Uani 1 1 d . . . . .
C48 C 0.59116(14) 0.31108(9) 0.57021(11) 0.0208(4) Uani 1 1 d . . . . .
H48 H 0.6349 0.2855 0.5455 0.025 Uiso 1 1 calc R U . . .
C49 C 0.62145(13) 0.34349(8) 0.63456(10) 0.0160(3) Uani 1 1 d . . . . .
C50 C 0.38308(13) 0.42479(10) 0.68163(11) 0.0220(4) Uani 1 1 d . . . . .
H50A H 0.4107 0.4592 0.7099 0.033 Uiso 1 1 calc R U . . .
H50B H 0.3482 0.3976 0.7148 0.033 Uiso 1 1 calc R U . . .
H50C H 0.3401 0.4413 0.6437 0.033 Uiso 1 1 calc R U . . .
C51 C 0.46656(18) 0.27915(11) 0.47275(13) 0.0343(5) Uani 1 1 d . . . . .
H51A H 0.5175 0.2789 0.4370 0.051 Uiso 1 1 calc R U . . .
H51B H 0.4107 0.2989 0.4507 0.051 Uiso 1 1 calc R U . . .
H51C H 0.4514 0.2364 0.4866 0.051 Uiso 1 1 calc R U . . .
C52 C 0.72410(13) 0.33425(9) 0.65959(10) 0.0193(4) Uani 1 1 d . . . . .
H52A H 0.7265 0.3260 0.7127 0.029 Uiso 1 1 calc R U . . .
H52B H 0.7603 0.3718 0.6489 0.029 Uiso 1 1 calc R U . . .
H52C H 0.7511 0.2990 0.6332 0.029 Uiso 1 1 calc R U . . .
C53 C 0.3585(2) 0.12137(16) 0.96770(17) 0.0535(7) Uani 1 1 d . . . . .
H53A H 0.2902 0.1247 0.9770 0.064 Uiso 1 1 calc R U . . .
H53B H 0.3916 0.1517 0.9999 0.064 Uiso 1 1 calc R U . . .
C54 C 0.3922(2) 0.05562(15) 0.98678(17) 0.0510(7) Uani 1 1 d . . . . .
H54A H 0.4589 0.0555 1.0034 0.061 Uiso 1 1 calc R U . . .
H54B H 0.3530 0.0366 1.0254 0.061 Uiso 1 1 calc R U . . .
C55 C 0.3795(4) 0.0222(2) 0.9131(3) 0.0997(17) Uani 1 1 d . . . . .
H55A H 0.3151 0.0054 0.9065 0.120 Uiso 1 1 calc R U . . .
H55B H 0.4262 -0.0114 0.9069 0.120 Uiso 1 1 calc R U . . .
C56 C 0.3989(4) 0.0799(2) 0.8593(2) 0.0912(14) Uani 1 1 d . . . . .
H56A H 0.4662 0.0803 0.8459 0.109 Uiso 1 1 calc R U . . .
H56B H 0.3611 0.0749 0.8134 0.109 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
P1 C1 1.9250(17) . ?
P1 Si1 2.2729(7) . ?
P1 Si2 2.2797(6) . ?
Si1 C1 1.9751(18) . ?
Si1 C6 1.9776(18) . ?
Si2 C26 1.9265(18) . ?
Si2 C17 1.9351(18) . ?
Si2 Si3 2.4764(7) . ?
Si3 C44 1.9234(17) . ?
Si3 C1 1.9378(17) . ?
Si3 C35 1.9479(18) . ?
O1 C56 1.361(5) . ?
O1 C53 1.399(4) . ?
N1 C6 1.358(2) . ?
N1 C7 1.398(2) . ?
N1 C9 1.486(3) . ?
N2 C6 1.361(2) . ?
N2 C8 1.393(2) . ?
N2 C14 1.476(3) . ?
C1 C2 1.569(2) . ?
C2 C5 1.526(2) . ?
C2 C3 1.534(2) . ?
C2 C4 1.535(2) . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C7 C8 1.349(3) . ?
C7 C12 1.497(3) . ?
C8 C13 1.494(3) . ?
C9 C10 1.507(3) . ?
C9 C11 1.519(3) . ?
C9 H9 0.9800 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 C15 1.523(3) . ?
C14 C16 1.525(3) . ?
C14 H14 0.9800 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 C22 1.414(3) . ?
C17 C18 1.420(2) . ?
C18 C19 1.393(3) . ?
C18 C23 1.509(3) . ?
C19 C20 1.390(3) . ?
C19 H19 0.9300 . ?
C20 C21 1.385(3) . ?
C20 C24 1.508(3) . ?
C21 C22 1.398(3) . ?
C21 H21 0.9300 . ?
C22 C25 1.510(3) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 C27 1.412(2) . ?
C26 C31 1.420(2) . ?
C27 C28 1.399(3) . ?
C27 C32 1.500(3) . ?
C28 C29 1.378(3) . ?
C28 H28 0.9300 . ?
C29 C30 1.385(3) . ?
C29 C33 1.512(3) . ?
C30 C31 1.389(3) . ?
C30 H30 0.9300 . ?
C31 C34 1.511(3) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 C36 1.412(2) . ?
C35 C40 1.420(2) . ?
C36 C37 1.392(3) . ?
C36 C41 1.495(3) . ?
C37 C38 1.388(3) . ?
C37 H37 0.9300 . ?
C38 C39 1.381(3) . ?
C38 C42 1.509(3) . ?
C39 C40 1.398(3) . ?
C39 H39 0.9300 . ?
C40 C43 1.514(3) . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 C49 1.416(2) . ?
C44 C45 1.417(2) . ?
C45 C46 1.396(3) . ?
C45 C50 1.510(3) . ?
C46 C47 1.383(3) . ?
C46 H46 0.9300 . ?
C47 C48 1.385(3) . ?
C47 C51 1.510(3) . ?
C48 C49 1.393(2) . ?
C48 H48 0.9300 . ?
C49 C52 1.502(2) . ?
C50 H50A 0.9600 . ?
C50 H50B 0.9600 . ?
C50 H50C 0.9600 . ?
C51 H51A 0.9600 . ?
C51 H51B 0.9600 . ?
C51 H51C 0.9600 . ?
C52 H52A 0.9600 . ?
C52 H52B 0.9600 . ?
C52 H52C 0.9600 . ?
C53 C54 1.502(5) . ?
C53 H53A 0.9700 . ?
C53 H53B 0.9700 . ?
C54 C55 1.495(4) . ?
C54 H54A 0.9700 . ?
C54 H54B 0.9700 . ?
C55 C56 1.575(7) . ?
C55 H55A 0.9700 . ?
C55 H55B 0.9700 . ?
C56 H56A 0.9700 . ?
C56 H56B 0.9700 . ?

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
C1 P1 Si1 55.39(5) . . ?
C1 P1 Si2 92.37(5) . . ?
Si1 P1 Si2 86.44(2) . . ?
C1 Si1 C6 110.28(7) . . ?
C1 Si1 P1 53.34(5) . . ?
C6 Si1 P1 103.84(6) . . ?
C26 Si2 C17 103.95(8) . . ?
C26 Si2 P1 106.10(6) . . ?
C17 Si2 P1 120.62(6) . . ?
C26 Si2 Si3 123.73(6) . . ?
C17 Si2 Si3 123.08(6) . . ?
P1 Si2 Si3 76.65(2) . . ?
C44 Si3 C1 127.55(8) . . ?
C44 Si3 C35 100.09(7) . . ?
C1 Si3 C35 109.29(7) . . ?
C44 Si3 Si2 113.21(6) . . ?
C1 Si3 Si2 86.28(5) . . ?
C35 Si3 Si2 122.46(6) . . ?
C56 O1 C53 105.6(3) . . ?
C6 N1 C7 110.26(17) . . ?
C6 N1 C9 123.13(15) . . ?
C7 N1 C9 126.57(16) . . ?
C6 N2 C8 110.23(17) . . ?
C6 N2 C14 122.31(15) . . ?
C8 N2 C14 127.45(16) . . ?
C2 C1 P1 112.66(11) . . ?
C2 C1 Si3 123.72(12) . . ?
P1 C1 Si3 99.73(8) . . ?
C2 C1 Si1 127.45(12) . . ?
P1 C1 Si1 71.28(6) . . ?
Si3 C1 Si1 105.65(8) . . ?
C5 C2 C3 108.23(15) . . ?
C5 C2 C4 107.05(15) . . ?
C3 C2 C4 105.41(15) . . ?
C5 C2 C1 111.02(14) . . ?
C3 C2 C1 112.34(14) . . ?
C4 C2 C1 112.46(14) . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C2 C4 H4A 109.5 . . ?
C2 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C2 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C2 C5 H5A 109.5 . . ?
C2 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C2 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
N1 C6 N2 105.55(15) . . ?
N1 C6 Si1 131.26(14) . . ?
N2 C6 Si1 120.23(13) . . ?
C8 C7 N1 106.82(17) . . ?
C8 C7 C12 127.69(19) . . ?
N1 C7 C12 125.5(2) . . ?
C7 C8 N2 107.14(17) . . ?
C7 C8 C13 128.47(19) . . ?
N2 C8 C13 124.4(2) . . ?
N1 C9 C10 113.0(2) . . ?
N1 C9 C11 111.84(17) . . ?
C10 C9 C11 113.5(2) . . ?
N1 C9 H9 105.9 . . ?
C10 C9 H9 105.9 . . ?
C11 C9 H9 105.9 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C7 C12 H12A 109.5 . . ?
C7 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C7 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C8 C13 H13A 109.5 . . ?
C8 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C8 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N2 C14 C15 111.01(17) . . ?
N2 C14 C16 112.90(16) . . ?
C15 C14 C16 112.88(17) . . ?
N2 C14 H14 106.5 . . ?
C15 C14 H14 106.5 . . ?
C16 C14 H14 106.5 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C22 C17 C18 116.82(16) . . ?
C22 C17 Si2 126.08(13) . . ?
C18 C17 Si2 117.10(14) . . ?
C19 C18 C17 120.91(18) . . ?
C19 C18 C23 116.90(17) . . ?
C17 C18 C23 122.19(17) . . ?
C20 C19 C18 121.92(18) . . ?
C20 C19 H19 119.0 . . ?
C18 C19 H19 119.0 . . ?
C21 C20 C19 117.33(18) . . ?
C21 C20 C24 121.3(2) . . ?
C19 C20 C24 121.4(2) . . ?
C20 C21 C22 122.52(19) . . ?
C20 C21 H21 118.7 . . ?
C22 C21 H21 118.7 . . ?
C21 C22 C17 120.36(17) . . ?
C21 C22 C25 114.59(17) . . ?
C17 C22 C25 125.04(16) . . ?
C18 C23 H23A 109.5 . . ?
C18 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C18 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C20 C24 H24A 109.5 . . ?
C20 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C20 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C22 C25 H25A 109.5 . . ?
C22 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C22 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C27 C26 C31 116.73(16) . . ?
C27 C26 Si2 127.05(14) . . ?
C31 C26 Si2 116.01(13) . . ?
C28 C27 C26 120.36(17) . . ?
C28 C27 C32 115.97(17) . . ?
C26 C27 C32 123.65(17) . . ?
C29 C28 C27 122.56(18) . . ?
C29 C28 H28 118.7 . . ?
C27 C28 H28 118.7 . . ?
C28 C29 C30 117.38(18) . . ?
C28 C29 C33 121.7(2) . . ?
C30 C29 C33 120.9(2) . . ?
C29 C30 C31 122.11(18) . . ?
C29 C30 H30 118.9 . . ?
C31 C30 H30 118.9 . . ?
C30 C31 C26 120.82(17) . . ?
C30 C31 C34 116.41(17) . . ?
C26 C31 C34 122.77(16) . . ?
C27 C32 H32A 109.5 . . ?
C27 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C27 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C29 C33 H33A 109.5 . . ?
C29 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C29 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C31 C34 H34A 109.5 . . ?
C31 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C31 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C36 C35 C40 116.42(16) . . ?
C36 C35 Si3 122.29(13) . . ?
C40 C35 Si3 121.25(13) . . ?
C37 C36 C35 121.88(17) . . ?
C37 C36 C41 116.78(17) . . ?
C35 C36 C41 121.34(16) . . ?
C38 C37 C36 121.38(18) . . ?
C38 C37 H37 119.3 . . ?
C36 C37 H37 119.3 . . ?
C39 C38 C37 117.38(17) . . ?
C39 C38 C42 121.24(19) . . ?
C37 C38 C42 121.38(19) . . ?
C38 C39 C40 122.94(18) . . ?
C38 C39 H39 118.5 . . ?
C40 C39 H39 118.5 . . ?
C39 C40 C35 119.99(17) . . ?
C39 C40 C43 114.13(16) . . ?
C35 C40 C43 125.87(16) . . ?
C36 C41 H41A 109.5 . . ?
C36 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C36 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C38 C42 H42A 109.5 . . ?
C38 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C38 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C40 C43 H43A 109.5 . . ?
C40 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C40 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C49 C44 C45 116.82(15) . . ?
C49 C44 Si3 127.52(13) . . ?
C45 C44 Si3 115.64(13) . . ?
C46 C45 C44 120.46(17) . . ?
C46 C45 C50 115.58(16) . . ?
C44 C45 C50 123.88(16) . . ?
C47 C46 C45 122.44(17) . . ?
C47 C46 H46 118.8 . . ?
C45 C46 H46 118.8 . . ?
C46 C47 C48 117.28(17) . . ?
C46 C47 C51 121.46(19) . . ?
C48 C47 C51 121.26(19) . . ?
C47 C48 C49 122.28(18) . . ?
C47 C48 H48 118.9 . . ?
C49 C48 H48 118.9 . . ?
C48 C49 C44 120.71(17) . . ?
C48 C49 C52 116.99(16) . . ?
C44 C49 C52 122.30(15) . . ?
C45 C50 H50A 109.5 . . ?
C45 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C45 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C47 C51 H51A 109.5 . . ?
C47 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C47 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C49 C52 H52A 109.5 . . ?
C49 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C49 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
O1 C53 C54 111.2(3) . . ?
O1 C53 H53A 109.4 . . ?
C54 C53 H53A 109.4 . . ?
O1 C53 H53B 109.4 . . ?
C54 C53 H53B 109.4 . . ?
H53A C53 H53B 108.0 . . ?
C55 C54 C53 101.9(3) . . ?
C55 C54 H54A 111.4 . . ?
C53 C54 H54A 111.4 . . ?
C55 C54 H54B 111.4 . . ?
C53 C54 H54B 111.4 . . ?
H54A C54 H54B 109.3 . . ?
C54 C55 C56 98.6(3) . . ?
C54 C55 H55A 112.1 . . ?
C56 C55 H55A 112.1 . . ?
C54 C55 H55B 112.1 . . ?
C56 C55 H55B 112.1 . . ?
H55A C55 H55B 109.7 . . ?
O1 C56 C55 111.4(3) . . ?
O1 C56 H56A 109.3 . . ?
C55 C56 H56A 109.3 . . ?
O1 C56 H56B 109.3 . . ?
C55 C56 H56B 109.3 . . ?
H56A C56 H56B 108.0 . . ?

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
P1 C1 C2 C5 -177.16(12) . . . . ?
Si3 C1 C2 C5 62.92(18) . . . . ?
Si1 C1 C2 C5 -93.96(17) . . . . ?
P1 C1 C2 C3 61.49(17) . . . . ?
Si3 C1 C2 C3 -58.43(19) . . . . ?
Si1 C1 C2 C3 144.69(14) . . . . ?
P1 C1 C2 C4 -57.24(17) . . . . ?
Si3 C1 C2 C4 -177.16(12) . . . . ?
Si1 C1 C2 C4 26.0(2) . . . . ?
C7 N1 C6 N2 0.2(2) . . . . ?
C9 N1 C6 N2 -177.67(16) . . . . ?
C7 N1 C6 Si1 -159.68(15) . . . . ?
C9 N1 C6 Si1 22.4(3) . . . . ?
C8 N2 C6 N1 -0.1(2) . . . . ?
C14 N2 C6 N1 179.98(15) . . . . ?
C8 N2 C6 Si1 162.50(13) . . . . ?
C14 N2 C6 Si1 -17.4(2) . . . . ?
C6 N1 C7 C8 -0.3(2) . . . . ?
C9 N1 C7 C8 177.56(18) . . . . ?
C6 N1 C7 C12 179.35(19) . . . . ?
C9 N1 C7 C12 -2.8(3) . . . . ?
N1 C7 C8 N2 0.2(2) . . . . ?
C12 C7 C8 N2 -179.4(2) . . . . ?
N1 C7 C8 C13 179.6(2) . . . . ?
C12 C7 C8 C13 0.0(4) . . . . ?
C6 N2 C8 C7 0.0(2) . . . . ?
C14 N2 C8 C7 179.84(17) . . . . ?
C6 N2 C8 C13 -179.5(2) . . . . ?
C14 N2 C8 C13 0.4(3) . . . . ?
C6 N1 C9 C10 -115.9(2) . . . . ?
C7 N1 C9 C10 66.5(3) . . . . ?
C6 N1 C9 C11 114.5(2) . . . . ?
C7 N1 C9 C11 -63.1(3) . . . . ?
C6 N2 C14 C15 108.04(19) . . . . ?
C8 N2 C14 C15 -71.8(2) . . . . ?
C6 N2 C14 C16 -124.05(19) . . . . ?
C8 N2 C14 C16 56.1(2) . . . . ?
C22 C17 C18 C19 -3.7(3) . . . . ?
Si2 C17 C18 C19 175.72(15) . . . . ?
C22 C17 C18 C23 175.28(18) . . . . ?
Si2 C17 C18 C23 -5.3(2) . . . . ?
C17 C18 C19 C20 1.0(3) . . . . ?
C23 C18 C19 C20 -177.99(19) . . . . ?
C18 C19 C20 C21 1.9(3) . . . . ?
C18 C19 C20 C24 -178.3(2) . . . . ?
C19 C20 C21 C22 -2.1(3) . . . . ?
C24 C20 C21 C22 178.1(2) . . . . ?
C20 C21 C22 C17 -0.7(3) . . . . ?
C20 C21 C22 C25 179.36(18) . . . . ?
C18 C17 C22 C21 3.5(3) . . . . ?
Si2 C17 C22 C21 -175.83(14) . . . . ?
C18 C17 C22 C25 -176.56(17) . . . . ?
Si2 C17 C22 C25 4.1(3) . . . . ?
C31 C26 C27 C28 0.9(3) . . . . ?
Si2 C26 C27 C28 -173.64(14) . . . . ?
C31 C26 C27 C32 179.32(17) . . . . ?
Si2 C26 C27 C32 4.8(3) . . . . ?
C26 C27 C28 C29 0.3(3) . . . . ?
C32 C27 C28 C29 -178.30(18) . . . . ?
C27 C28 C29 C30 -0.2(3) . . . . ?
C27 C28 C29 C33 -179.04(19) . . . . ?
C28 C29 C30 C31 -1.0(3) . . . . ?
C33 C29 C30 C31 177.81(19) . . . . ?
C29 C30 C31 C26 2.2(3) . . . . ?
C29 C30 C31 C34 -178.24(17) . . . . ?
C27 C26 C31 C30 -2.1(3) . . . . ?
Si2 C26 C31 C30 173.05(14) . . . . ?
C27 C26 C31 C34 178.42(16) . . . . ?
Si2 C26 C31 C34 -6.5(2) . . . . ?
C40 C35 C36 C37 -0.4(3) . . . . ?
Si3 C35 C36 C37 -178.15(14) . . . . ?
C40 C35 C36 C41 178.99(18) . . . . ?
Si3 C35 C36 C41 1.3(3) . . . . ?
C35 C36 C37 C38 0.9(3) . . . . ?
C41 C36 C37 C38 -178.50(18) . . . . ?
C36 C37 C38 C39 -0.2(3) . . . . ?
C36 C37 C38 C42 -179.66(18) . . . . ?
C37 C38 C39 C40 -1.0(3) . . . . ?
C42 C38 C39 C40 178.41(18) . . . . ?
C38 C39 C40 C35 1.6(3) . . . . ?
C38 C39 C40 C43 -177.65(17) . . . . ?
C36 C35 C40 C39 -0.8(2) . . . . ?
Si3 C35 C40 C39 176.98(13) . . . . ?
C36 C35 C40 C43 178.33(16) . . . . ?
Si3 C35 C40 C43 -3.9(2) . . . . ?
C49 C44 C45 C46 0.5(3) . . . . ?
Si3 C44 C45 C46 -177.92(14) . . . . ?
C49 C44 C45 C50 177.22(17) . . . . ?
Si3 C44 C45 C50 -1.2(2) . . . . ?
C44 C45 C46 C47 0.4(3) . . . . ?
C50 C45 C46 C47 -176.54(18) . . . . ?
C45 C46 C47 C48 -0.9(3) . . . . ?
C45 C46 C47 C51 178.4(2) . . . . ?
C46 C47 C48 C49 0.4(3) . . . . ?
C51 C47 C48 C49 -178.9(2) . . . . ?
C47 C48 C49 C44 0.5(3) . . . . ?
C47 C48 C49 C52 179.82(18) . . . . ?
C45 C44 C49 C48 -1.0(3) . . . . ?
Si3 C44 C49 C48 177.25(14) . . . . ?
C45 C44 C49 C52 179.76(17) . . . . ?
Si3 C44 C49 C52 -2.0(3) . . . . ?
C56 O1 C53 C54 12.6(4) . . . . ?
O1 C53 C54 C55 -30.1(4) . . . . ?
C53 C54 C55 C56 31.3(4) . . . . ?
C53 O1 C56 C55 9.7(5) . . . . ?
C54 C55 C56 O1 -27.3(5) . . . . ?

_refine_diff_density_max         1.401
_refine_diff_density_min         -0.765
_refine_diff_density_rms         0.069

####################################################################### 
# 
# 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_fl190113sq
_database_code_depnum_ccdc_archive 'CCDC 1952739'
loop_
_audit_author_name
_audit_author_address
'Felicitas Lips'
;Westfaelische Wilhlems Universitaet Muenster
Germany
;
_audit_update_record             
;
2019-09-10 deposited with the CCDC.	2019-09-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C52 H73 N2 O0 P Si3'
_chemical_formula_weight         841.36

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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.4344(6)
_cell_length_b                   14.9016(7)
_cell_length_c                   16.3149(7)
_cell_angle_alpha                89.3050(10)
_cell_angle_beta                 68.4160(10)
_cell_angle_gamma                88.9410(10)
_cell_volume                     2810.5(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9931
_cell_measurement_theta_min      2.26
_cell_measurement_theta_max      27.10

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    0.994
_exptl_crystal_F_000             912
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.278
_exptl_crystal_size_mid          0.261
_exptl_crystal_size_min          0.164
_exptl_absorpt_coefficient_mu    0.144
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6191
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            30315
_diffrn_reflns_av_unetI/netI     0.0487
_diffrn_reflns_av_R_equivalents  0.0306
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.213
_diffrn_reflns_theta_max         27.146
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measured_fraction_theta_full 0.967
_diffrn_reflns_Laue_measured_fraction_max 0.960
_diffrn_reflns_Laue_measured_fraction_full 0.967
_diffrn_reflns_point_group_measured_fraction_max 0.960
_diffrn_reflns_point_group_measured_fraction_full 0.967
_reflns_number_total             11948
_reflns_number_gt                10254
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0459P)²+2.1514P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         11948
_refine_ls_number_parameters     537
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0548
_refine_ls_R_factor_gt           0.0469
_refine_ls_wR_factor_ref         0.1254
_refine_ls_wR_factor_gt          0.1208
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_restrained_S_all      1.077
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
P1 P 0.81619(4) 0.31414(3) 0.68552(3) 0.01917(11) Uani 1 1 d . . . . .
Si1 Si 0.67586(4) 0.34805(3) 0.64867(3) 0.01556(11) Uani 1 1 d . . . . .
Si2 Si 0.50771(4) 0.24385(3) 0.78679(3) 0.01463(10) Uani 1 1 d . . . . .
Si3 Si 0.70485(4) 0.22831(3) 0.79914(3) 0.01500(10) Uani 1 1 d . . . . .
N1 N 0.76289(12) 0.51162(10) 0.54793(10) 0.0164(3) Uani 1 1 d . . . . .
N2 N 0.77863(13) 0.39802(10) 0.46298(10) 0.0194(3) Uani 1 1 d . . . . .
C1 C 0.53081(15) 0.31987(11) 0.69013(12) 0.0172(3) Uani 1 1 d . . . . .
C2 C 0.43440(15) 0.36608(12) 0.66458(12) 0.0208(4) Uani 1 1 d . . . . .
C3 C 0.31687(16) 0.31987(14) 0.70573(14) 0.0281(4) Uani 1 1 d . . . . .
H3A H 0.2943 0.3173 0.7699 0.042 Uiso 1 1 calc R U . . .
H3B H 0.2584 0.3540 0.6909 0.042 Uiso 1 1 calc R U . . .
H3C H 0.3230 0.2588 0.6826 0.042 Uiso 1 1 calc R U . . .
C4 C 0.41493(17) 0.46392(13) 0.69684(15) 0.0290(4) Uani 1 1 d . . . . .
H4A H 0.3948 0.4650 0.7608 0.043 Uiso 1 1 calc R U . . .
H4B H 0.4859 0.4978 0.6679 0.043 Uiso 1 1 calc R U . . .
H4C H 0.3518 0.4912 0.6824 0.043 Uiso 1 1 calc R U . . .
C5 C 0.46561(17) 0.36835(14) 0.56432(13) 0.0278(4) Uani 1 1 d . . . . .
H5A H 0.5404 0.3975 0.5360 0.042 Uiso 1 1 calc R U . . .
H5B H 0.4705 0.3069 0.5424 0.042 Uiso 1 1 calc R U . . .
H5C H 0.4058 0.4021 0.5506 0.042 Uiso 1 1 calc R U . . .
C6 C 0.73560(15) 0.42469(11) 0.54751(11) 0.0165(3) Uani 1 1 d . . . . .
C7 C 0.82516(15) 0.54026(13) 0.46215(12) 0.0201(4) Uani 1 1 d . . . . .
C8 C 0.83497(15) 0.46884(13) 0.40888(12) 0.0217(4) Uani 1 1 d . . . . .
C9 C 0.73493(17) 0.56235(12) 0.63078(12) 0.0220(4) Uani 1 1 d . . . . .
H9 H 0.6861 0.5223 0.6793 0.026 Uiso 1 1 calc R U . . .
C10 C 0.66266(19) 0.64652(13) 0.63333(14) 0.0284(4) Uani 1 1 d . . . . .
H10A H 0.6465 0.6776 0.6893 0.043 Uiso 1 1 calc R U . . .
H10B H 0.7053 0.6863 0.5843 0.043 Uiso 1 1 calc R U . . .
H10C H 0.5896 0.6298 0.6280 0.043 Uiso 1 1 calc R U . . .
C11 C 0.8440(2) 0.57984(14) 0.64903(16) 0.0346(5) Uani 1 1 d . . . . .
H11A H 0.8240 0.6134 0.7040 0.052 Uiso 1 1 calc R U . . .
H11B H 0.8808 0.5225 0.6545 0.052 Uiso 1 1 calc R U . . .
H11C H 0.8976 0.6148 0.6004 0.052 Uiso 1 1 calc R U . . .
C12 C 0.87072(18) 0.63263(14) 0.43739(14) 0.0313(5) Uani 1 1 d . . . . .
H12A H 0.9216 0.6339 0.3751 0.047 Uiso 1 1 calc R U . . .
H12B H 0.9145 0.6497 0.4738 0.047 Uiso 1 1 calc R U . . .
H12C H 0.8060 0.6750 0.4470 0.047 Uiso 1 1 calc R U . . .
C13 C 0.89478(18) 0.46403(16) 0.31084(13) 0.0330(5) Uani 1 1 d . . . . .
H13A H 0.8370 0.4637 0.2831 0.049 Uiso 1 1 calc R U . . .
H13B H 0.9421 0.4090 0.2954 0.049 Uiso 1 1 calc R U . . .
H13C H 0.9445 0.5163 0.2899 0.049 Uiso 1 1 calc R U . . .
C14 C 0.77069(17) 0.30319(13) 0.43861(13) 0.0247(4) Uani 1 1 d . . . . .
H14 H 0.7150 0.2734 0.4923 0.030 Uiso 1 1 calc R U . . .
C15 C 0.88633(19) 0.25439(14) 0.41744(15) 0.0324(5) Uani 1 1 d . . . . .
H15A H 0.8794 0.1921 0.4016 0.049 Uiso 1 1 calc R U . . .
H15B H 0.9455 0.2845 0.3679 0.049 Uiso 1 1 calc R U . . .
H15C H 0.9085 0.2552 0.4692 0.049 Uiso 1 1 calc R U . . .
C16 C 0.7208(2) 0.29473(16) 0.36655(15) 0.0367(5) Uani 1 1 d . . . . .
H16A H 0.7174 0.2312 0.3530 0.055 Uiso 1 1 calc R U . . .
H16B H 0.6427 0.3212 0.3869 0.055 Uiso 1 1 calc R U . . .
H16C H 0.7702 0.3264 0.3134 0.055 Uiso 1 1 calc R U . . .
C17 C 0.38631(15) 0.29968(11) 0.88430(11) 0.0165(3) Uani 1 1 d . . . . .
C18 C 0.27456(15) 0.26475(12) 0.92845(12) 0.0189(4) Uani 1 1 d . . . . .
C19 C 0.19682(16) 0.30801(13) 1.00291(12) 0.0232(4) Uani 1 1 d . . . . .
H19 H 0.1233 0.2822 1.0329 0.028 Uiso 1 1 calc R U . . .
C20 C 0.22342(16) 0.38735(13) 1.03449(12) 0.0236(4) Uani 1 1 d . . . . .
C21 C 0.32884(16) 0.42519(12) 0.98746(12) 0.0214(4) Uani 1 1 d . . . . .
H21 H 0.3466 0.4816 1.0055 0.026 Uiso 1 1 calc R U . . .
C22 C 0.41013(15) 0.38341(11) 0.91427(12) 0.0181(3) Uani 1 1 d . . . . .
C23 C 0.22880(16) 0.18174(13) 0.89982(13) 0.0229(4) Uani 1 1 d . . . . .
H23A H 0.2476 0.1285 0.9281 0.034 Uiso 1 1 calc R U . . .
H23B H 0.2646 0.1757 0.8356 0.034 Uiso 1 1 calc R U . . .
H23C H 0.1447 0.1874 0.9172 0.034 Uiso 1 1 calc R U . . .
C24 C 0.14086(18) 0.43151(16) 1.11697(14) 0.0333(5) Uani 1 1 d . . . . .
H24A H 0.1849 0.4612 1.1476 0.050 Uiso 1 1 calc R U . . .
H24B H 0.0913 0.3859 1.1558 0.050 Uiso 1 1 calc R U . . .
H24C H 0.0928 0.4761 1.1011 0.050 Uiso 1 1 calc R U . . .
C25 C 0.52358(15) 0.43180(12) 0.87252(12) 0.0195(4) Uani 1 1 d . . . . .
H25A H 0.5291 0.4564 0.8152 0.029 Uiso 1 1 calc R U . . .
H25B H 0.5880 0.3895 0.8644 0.029 Uiso 1 1 calc R U . . .
H25C H 0.5271 0.4807 0.9110 0.029 Uiso 1 1 calc R U . . .
C26 C 0.47812(15) 0.11929(11) 0.77177(12) 0.0179(3) Uani 1 1 d . . . . .
C27 C 0.47847(16) 0.07963(12) 0.69366(12) 0.0209(4) Uani 1 1 d . . . . .
C28 C 0.46888(16) -0.01349(13) 0.68838(13) 0.0236(4) Uani 1 1 d . . . . .
H28 H 0.4689 -0.0382 0.6349 0.028 Uiso 1 1 calc R U . . .
C29 C 0.45937(16) -0.07073(12) 0.75772(14) 0.0244(4) Uani 1 1 d . . . . .
C30 C 0.45816(16) -0.03228(12) 0.83490(13) 0.0219(4) Uani 1 1 d . . . . .
H30 H 0.4518 -0.0701 0.8837 0.026 Uiso 1 1 calc R U . . .
C31 C 0.46599(15) 0.05985(11) 0.84346(12) 0.0181(3) Uani 1 1 d . . . . .
C32 C 0.49171(19) 0.13021(13) 0.60955(13) 0.0281(4) Uani 1 1 d . . . . .
H32A H 0.5421 0.0957 0.5587 0.042 Uiso 1 1 calc R U . . .
H32B H 0.5260 0.1888 0.6101 0.042 Uiso 1 1 calc R U . . .
H32C H 0.4156 0.1389 0.6053 0.042 Uiso 1 1 calc R U . . .
C33 C 0.4527(2) -0.17106(14) 0.74956(16) 0.0376(5) Uani 1 1 d . . . . .
H33A H 0.4989 -0.2012 0.7794 0.056 Uiso 1 1 calc R U . . .
H33B H 0.4829 -0.1875 0.6871 0.056 Uiso 1 1 calc R U . . .
H33C H 0.3720 -0.1896 0.7768 0.056 Uiso 1 1 calc R U . . .
C34 C 0.46386(16) 0.09258(12) 0.93096(12) 0.0207(4) Uani 1 1 d . . . . .
H34A H 0.4395 0.0439 0.9745 0.031 Uiso 1 1 calc R U . . .
H34B H 0.4093 0.1433 0.9505 0.031 Uiso 1 1 calc R U . . .
H34C H 0.5414 0.1119 0.9248 0.031 Uiso 1 1 calc R U . . .
C35 C 0.74754(15) 0.27435(11) 0.89407(12) 0.0178(3) Uani 1 1 d . . . . .
C36 C 0.86739(16) 0.28457(12) 0.87643(13) 0.0213(4) Uani 1 1 d . . . . .
C37 C 0.90433(18) 0.32811(13) 0.93646(14) 0.0279(4) Uani 1 1 d . . . . .
H37 H 0.9849 0.3353 0.9224 0.033 Uiso 1 1 calc R U . . .
C38 C 0.82766(19) 0.36120(13) 1.01573(15) 0.0290(4) Uani 1 1 d . . . . .
C39 C 0.71131(18) 0.34455(12) 1.03656(13) 0.0248(4) Uani 1 1 d . . . . .
H39 H 0.6573 0.3632 1.0922 0.030 Uiso 1 1 calc R U . . .
C40 C 0.67105(16) 0.30114(11) 0.97817(12) 0.0193(4) Uani 1 1 d . . . . .
C41 C 0.96297(17) 0.24436(14) 0.79745(13) 0.0275(4) Uani 1 1 d . . . . .
H41A H 0.9922 0.2903 0.7514 0.041 Uiso 1 1 calc R U . . .
H41B H 0.9325 0.1943 0.7746 0.041 Uiso 1 1 calc R U . . .
H41C H 1.0260 0.2225 0.8152 0.041 Uiso 1 1 calc R U . . .
C42 C 0.8680(2) 0.41064(17) 1.07937(18) 0.0452(6) Uani 1 1 d . . . . .
H42A H 0.8185 0.4637 1.1016 0.068 Uiso 1 1 calc R U . . .
H42B H 0.9482 0.4293 1.0490 0.068 Uiso 1 1 calc R U . . .
H42C H 0.8634 0.3709 1.1288 0.068 Uiso 1 1 calc R U . . .
C43 C 0.54486(16) 0.27834(12) 1.01478(12) 0.0218(4) Uani 1 1 d . . . . .
H43A H 0.5335 0.2244 1.0519 0.033 Uiso 1 1 calc R U . . .
H43B H 0.5185 0.2672 0.9662 0.033 Uiso 1 1 calc R U . . .
H43C H 0.5002 0.3285 1.0502 0.033 Uiso 1 1 calc R U . . .
C44 C 0.74700(15) 0.10189(11) 0.78572(12) 0.0176(3) Uani 1 1 d . . . . .
C45 C 0.76026(15) 0.04759(12) 0.85414(12) 0.0196(4) Uani 1 1 d . . . . .
C46 C 0.77857(17) -0.04483(12) 0.84264(13) 0.0249(4) Uani 1 1 d . . . . .
H46 H 0.7869 -0.0795 0.8893 0.030 Uiso 1 1 calc R U . . .
C47 C 0.78518(18) -0.08808(13) 0.76662(14) 0.0275(4) Uani 1 1 d . . . . .
C48 C 0.77658(17) -0.03566(13) 0.69895(14) 0.0257(4) Uani 1 1 d . . . . .
H48 H 0.7833 -0.0635 0.6452 0.031 Uiso 1 1 calc R U . . .
C49 C 0.75824(16) 0.05722(12) 0.70698(13) 0.0214(4) Uani 1 1 d . . . . .
C50 C 0.75828(17) 0.08190(12) 0.94154(12) 0.0223(4) Uani 1 1 d . . . . .
H50A H 0.7539 0.0311 0.9812 0.033 Uiso 1 1 calc R U . . .
H50B H 0.6907 0.1215 0.9678 0.033 Uiso 1 1 calc R U . . .
H50C H 0.8289 0.1154 0.9322 0.033 Uiso 1 1 calc R U . . .
C51 C 0.8010(2) -0.18882(14) 0.75852(17) 0.0387(5) Uani 1 1 d . . . . .
H51A H 0.7299 -0.2179 0.7968 0.058 Uiso 1 1 calc R U . . .
H51B H 0.8652 -0.2076 0.7763 0.058 Uiso 1 1 calc R U . . .
H51C H 0.8181 -0.2063 0.6972 0.058 Uiso 1 1 calc R U . . .
C52 C 0.75488(18) 0.10486(13) 0.62587(12) 0.0255(4) Uani 1 1 d . . . . .
H52A H 0.8296 0.1329 0.5945 0.038 Uiso 1 1 calc R U . . .
H52B H 0.6937 0.1511 0.6433 0.038 Uiso 1 1 calc R U . . .
H52C H 0.7391 0.0615 0.5872 0.038 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
P1 Si1 2.0960(6) . ?
P1 Si3 2.2603(7) . ?
Si1 C1 1.7351(18) . ?
Si1 C6 1.9141(18) . ?
Si2 C1 1.8677(18) . ?
Si2 C17 1.9289(18) . ?
Si2 C26 1.9348(18) . ?
Si2 Si3 2.5385(7) . ?
Si3 C44 1.9393(17) . ?
Si3 C35 1.9482(18) . ?
N1 C6 1.346(2) . ?
N1 C7 1.393(2) . ?
N1 C9 1.479(2) . ?
N2 C6 1.345(2) . ?
N2 C8 1.390(2) . ?
N2 C14 1.488(2) . ?
C1 C2 1.554(2) . ?
C2 C5 1.536(3) . ?
C2 C3 1.538(3) . ?
C2 C4 1.540(3) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C7 C8 1.357(3) . ?
C7 C12 1.492(3) . ?
C8 C13 1.498(3) . ?
C9 C11 1.519(3) . ?
C9 C10 1.521(3) . ?
C9 H9 1.0000 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C15 1.522(3) . ?
C14 C16 1.525(3) . ?
C14 H14 1.0000 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.415(2) . ?
C17 C22 1.421(2) . ?
C18 C19 1.399(3) . ?
C18 C23 1.519(2) . ?
C19 C20 1.388(3) . ?
C19 H19 0.9500 . ?
C20 C21 1.379(3) . ?
C20 C24 1.509(3) . ?
C21 C22 1.393(3) . ?
C21 H21 0.9500 . ?
C22 C25 1.514(2) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 C27 1.410(2) . ?
C26 C31 1.423(2) . ?
C27 C28 1.401(3) . ?
C27 C32 1.514(3) . ?
C28 C29 1.380(3) . ?
C28 H28 0.9500 . ?
C29 C30 1.385(3) . ?
C29 C33 1.509(3) . ?
C30 C31 1.390(2) . ?
C30 H30 0.9500 . ?
C31 C34 1.505(2) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 C40 1.409(3) . ?
C35 C36 1.421(2) . ?
C36 C37 1.396(3) . ?
C36 C41 1.516(3) . ?
C37 C38 1.384(3) . ?
C37 H37 0.9500 . ?
C38 C39 1.386(3) . ?
C38 C42 1.513(3) . ?
C39 C40 1.398(2) . ?
C39 H39 0.9500 . ?
C40 C43 1.503(3) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 C49 1.414(3) . ?
C44 C45 1.427(2) . ?
C45 C46 1.395(2) . ?
C45 C50 1.512(3) . ?
C46 C47 1.379(3) . ?
C46 H46 0.9500 . ?
C47 C48 1.380(3) . ?
C47 C51 1.512(3) . ?
C48 C49 1.398(3) . ?
C48 H48 0.9500 . ?
C49 C52 1.508(3) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 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
Si1 P1 Si3 92.17(2) . . ?
C1 Si1 C6 120.42(8) . . ?
C1 Si1 P1 133.37(6) . . ?
C6 Si1 P1 106.21(6) . . ?
C1 Si2 C17 105.74(8) . . ?
C1 Si2 C26 116.63(8) . . ?
C17 Si2 C26 112.86(8) . . ?
C1 Si2 Si3 104.91(6) . . ?
C17 Si2 Si3 116.81(6) . . ?
C26 Si2 Si3 100.04(5) . . ?
C44 Si3 C35 107.66(7) . . ?
C44 Si3 P1 113.45(6) . . ?
C35 Si3 P1 100.37(6) . . ?
C44 Si3 Si2 106.85(6) . . ?
C35 Si3 Si2 126.14(6) . . ?
P1 Si3 Si2 102.23(2) . . ?
C6 N1 C7 109.71(15) . . ?
C6 N1 C9 122.03(15) . . ?
C7 N1 C9 128.11(15) . . ?
C6 N2 C8 109.87(15) . . ?
C6 N2 C14 121.36(15) . . ?
C8 N2 C14 128.59(16) . . ?
C2 C1 Si1 125.44(13) . . ?
C2 C1 Si2 125.95(13) . . ?
Si1 C1 Si2 107.33(9) . . ?
C5 C2 C3 107.38(15) . . ?
C5 C2 C4 107.29(16) . . ?
C3 C2 C4 106.39(16) . . ?
C5 C2 C1 111.94(15) . . ?
C3 C2 C1 112.95(15) . . ?
C4 C2 C1 110.58(15) . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C2 C4 H4A 109.5 . . ?
C2 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C2 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C2 C5 H5A 109.5 . . ?
C2 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C2 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
N2 C6 N1 106.86(15) . . ?
N2 C6 Si1 125.99(13) . . ?
N1 C6 Si1 126.02(13) . . ?
C8 C7 N1 106.77(16) . . ?
C8 C7 C12 128.53(17) . . ?
N1 C7 C12 124.70(17) . . ?
C7 C8 N2 106.79(16) . . ?
C7 C8 C13 128.10(19) . . ?
N2 C8 C13 125.11(18) . . ?
N1 C9 C11 110.53(16) . . ?
N1 C9 C10 112.60(15) . . ?
C11 C9 C10 113.61(16) . . ?
N1 C9 H9 106.5 . . ?
C11 C9 H9 106.5 . . ?
C10 C9 H9 106.5 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C7 C12 H12A 109.5 . . ?
C7 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C7 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C8 C13 H13A 109.5 . . ?
C8 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C8 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N2 C14 C15 110.64(16) . . ?
N2 C14 C16 112.75(16) . . ?
C15 C14 C16 113.38(17) . . ?
N2 C14 H14 106.5 . . ?
C15 C14 H14 106.5 . . ?
C16 C14 H14 106.5 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 C22 116.83(16) . . ?
C18 C17 Si2 125.57(13) . . ?
C22 C17 Si2 117.59(13) . . ?
C19 C18 C17 120.21(16) . . ?
C19 C18 C23 115.35(16) . . ?
C17 C18 C23 124.43(16) . . ?
C20 C19 C18 122.28(18) . . ?
C20 C19 H19 118.9 . . ?
C18 C19 H19 118.9 . . ?
C21 C20 C19 117.52(17) . . ?
C21 C20 C24 120.62(18) . . ?
C19 C20 C24 121.86(19) . . ?
C20 C21 C22 122.13(17) . . ?
C20 C21 H21 118.9 . . ?
C22 C21 H21 118.9 . . ?
C21 C22 C17 120.72(17) . . ?
C21 C22 C25 115.53(16) . . ?
C17 C22 C25 123.73(16) . . ?
C18 C23 H23A 109.5 . . ?
C18 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C18 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C20 C24 H24A 109.5 . . ?
C20 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C20 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C22 C25 H25A 109.5 . . ?
C22 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C22 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C27 C26 C31 116.28(15) . . ?
C27 C26 Si2 126.28(14) . . ?
C31 C26 Si2 117.13(12) . . ?
C28 C27 C26 120.69(17) . . ?
C28 C27 C32 114.39(16) . . ?
C26 C27 C32 124.90(16) . . ?
C29 C28 C27 122.58(17) . . ?
C29 C28 H28 118.7 . . ?
C27 C28 H28 118.7 . . ?
C28 C29 C30 117.10(17) . . ?
C28 C29 C33 121.61(18) . . ?
C30 C29 C33 121.28(19) . . ?
C29 C30 C31 122.27(18) . . ?
C29 C30 H30 118.9 . . ?
C31 C30 H30 118.9 . . ?
C30 C31 C26 121.05(16) . . ?
C30 C31 C34 116.72(16) . . ?
C26 C31 C34 122.22(15) . . ?
C27 C32 H32A 109.5 . . ?
C27 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C27 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C29 C33 H33A 109.5 . . ?
C29 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C29 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C31 C34 H34A 109.5 . . ?
C31 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C31 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C40 C35 C36 116.36(16) . . ?
C40 C35 Si3 126.45(13) . . ?
C36 C35 Si3 117.16(14) . . ?
C37 C36 C35 120.56(18) . . ?
C37 C36 C41 115.25(17) . . ?
C35 C36 C41 124.03(17) . . ?
C38 C37 C36 122.31(18) . . ?
C38 C37 H37 118.8 . . ?
C36 C37 H37 118.8 . . ?
C37 C38 C39 117.25(17) . . ?
C37 C38 C42 122.1(2) . . ?
C39 C38 C42 120.6(2) . . ?
C38 C39 C40 121.96(19) . . ?
C38 C39 H39 119.0 . . ?
C40 C39 H39 119.0 . . ?
C39 C40 C35 121.06(17) . . ?
C39 C40 C43 115.28(17) . . ?
C35 C40 C43 123.43(16) . . ?
C36 C41 H41A 109.5 . . ?
C36 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C36 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C38 C42 H42A 109.5 . . ?
C38 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C38 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C40 C43 H43A 109.5 . . ?
C40 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C40 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C49 C44 C45 116.29(15) . . ?
C49 C44 Si3 119.97(13) . . ?
C45 C44 Si3 123.60(13) . . ?
C46 C45 C44 120.15(17) . . ?
C46 C45 C50 114.60(16) . . ?
C44 C45 C50 125.24(15) . . ?
C47 C46 C45 122.95(18) . . ?
C47 C46 H46 118.5 . . ?
C45 C46 H46 118.5 . . ?
C46 C47 C48 117.27(17) . . ?
C46 C47 C51 120.96(19) . . ?
C48 C47 C51 121.77(19) . . ?
C47 C48 C49 122.09(18) . . ?
C47 C48 H48 119.0 . . ?
C49 C48 H48 119.0 . . ?
C48 C49 C44 121.18(17) . . ?
C48 C49 C52 115.34(17) . . ?
C44 C49 C52 123.46(16) . . ?
C45 C50 H50A 109.5 . . ?
C45 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C45 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C47 C51 H51A 109.5 . . ?
C47 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C47 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C49 C52 H52A 109.5 . . ?
C49 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C49 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 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
C6 Si1 C1 C2 -13.04(18) . . . . ?
P1 Si1 C1 C2 167.70(11) . . . . ?
C6 Si1 C1 Si2 179.28(7) . . . . ?
P1 Si1 C1 Si2 0.02(13) . . . . ?
C17 Si2 C1 C2 -43.36(16) . . . . ?
C26 Si2 C1 C2 83.01(16) . . . . ?
Si3 Si2 C1 C2 -167.40(13) . . . . ?
C17 Si2 C1 Si1 124.25(9) . . . . ?
C26 Si2 C1 Si1 -109.39(9) . . . . ?
Si3 Si2 C1 Si1 0.20(9) . . . . ?
Si1 C1 C2 C5 53.0(2) . . . . ?
Si2 C1 C2 C5 -141.56(15) . . . . ?
Si1 C1 C2 C3 174.36(14) . . . . ?
Si2 C1 C2 C3 -20.2(2) . . . . ?
Si1 C1 C2 C4 -66.6(2) . . . . ?
Si2 C1 C2 C4 98.88(18) . . . . ?
C8 N2 C6 N1 0.50(19) . . . . ?
C14 N2 C6 N1 176.09(15) . . . . ?
C8 N2 C6 Si1 -167.91(13) . . . . ?
C14 N2 C6 Si1 7.7(2) . . . . ?
C7 N1 C6 N2 -0.50(18) . . . . ?
C9 N1 C6 N2 -176.50(14) . . . . ?
C7 N1 C6 Si1 167.90(12) . . . . ?
C9 N1 C6 Si1 -8.1(2) . . . . ?
C6 N1 C7 C8 0.31(19) . . . . ?
C9 N1 C7 C8 176.01(16) . . . . ?
C6 N1 C7 C12 -179.49(17) . . . . ?
C9 N1 C7 C12 -3.8(3) . . . . ?
N1 C7 C8 N2 0.00(19) . . . . ?
C12 C7 C8 N2 179.78(17) . . . . ?
N1 C7 C8 C13 -179.55(17) . . . . ?
C12 C7 C8 C13 0.2(3) . . . . ?
C6 N2 C8 C7 -0.3(2) . . . . ?
C14 N2 C8 C7 -175.50(16) . . . . ?
C6 N2 C8 C13 179.25(17) . . . . ?
C14 N2 C8 C13 4.1(3) . . . . ?
C6 N1 C9 C11 107.89(19) . . . . ?
C7 N1 C9 C11 -67.3(2) . . . . ?
C6 N1 C9 C10 -123.85(18) . . . . ?
C7 N1 C9 C10 60.9(2) . . . . ?
C6 N2 C14 C15 -102.6(2) . . . . ?
C8 N2 C14 C15 72.1(2) . . . . ?
C6 N2 C14 C16 129.21(19) . . . . ?
C8 N2 C14 C16 -56.1(2) . . . . ?
C22 C17 C18 C19 -5.6(2) . . . . ?
Si2 C17 C18 C19 174.93(13) . . . . ?
C22 C17 C18 C23 173.12(16) . . . . ?
Si2 C17 C18 C23 -6.3(3) . . . . ?
C17 C18 C19 C20 2.4(3) . . . . ?
C23 C18 C19 C20 -176.49(17) . . . . ?
C18 C19 C20 C21 2.7(3) . . . . ?
C18 C19 C20 C24 -177.49(18) . . . . ?
C19 C20 C21 C22 -4.3(3) . . . . ?
C24 C20 C21 C22 175.86(17) . . . . ?
C20 C21 C22 C17 0.9(3) . . . . ?
C20 C21 C22 C25 -177.35(16) . . . . ?
C18 C17 C22 C21 4.1(2) . . . . ?
Si2 C17 C22 C21 -176.43(13) . . . . ?
C18 C17 C22 C25 -177.81(16) . . . . ?
Si2 C17 C22 C25 1.7(2) . . . . ?
C31 C26 C27 C28 -0.9(3) . . . . ?
Si2 C26 C27 C28 172.58(14) . . . . ?
C31 C26 C27 C32 -179.26(17) . . . . ?
Si2 C26 C27 C32 -5.8(3) . . . . ?
C26 C27 C28 C29 -0.4(3) . . . . ?
C32 C27 C28 C29 178.21(18) . . . . ?
C27 C28 C29 C30 0.8(3) . . . . ?
C27 C28 C29 C33 -178.15(19) . . . . ?
C28 C29 C30 C31 0.1(3) . . . . ?
C33 C29 C30 C31 178.98(19) . . . . ?
C29 C30 C31 C26 -1.3(3) . . . . ?
C29 C30 C31 C34 -179.88(17) . . . . ?
C27 C26 C31 C30 1.7(3) . . . . ?
Si2 C26 C31 C30 -172.39(14) . . . . ?
C27 C26 C31 C34 -179.85(16) . . . . ?
Si2 C26 C31 C34 6.1(2) . . . . ?
C40 C35 C36 C37 -6.8(2) . . . . ?
Si3 C35 C36 C37 171.41(14) . . . . ?
C40 C35 C36 C41 168.27(16) . . . . ?
Si3 C35 C36 C41 -13.5(2) . . . . ?
C35 C36 C37 C38 1.5(3) . . . . ?
C41 C36 C37 C38 -174.06(18) . . . . ?
C36 C37 C38 C39 4.0(3) . . . . ?
C36 C37 C38 C42 -178.2(2) . . . . ?
C37 C38 C39 C40 -3.9(3) . . . . ?
C42 C38 C39 C40 178.28(19) . . . . ?
C38 C39 C40 C35 -1.7(3) . . . . ?
C38 C39 C40 C43 172.95(17) . . . . ?
C36 C35 C40 C39 6.9(2) . . . . ?
Si3 C35 C40 C39 -171.13(13) . . . . ?
C36 C35 C40 C43 -167.21(16) . . . . ?
Si3 C35 C40 C43 14.7(2) . . . . ?
C49 C44 C45 C46 -2.5(3) . . . . ?
Si3 C44 C45 C46 173.13(14) . . . . ?
C49 C44 C45 C50 176.44(17) . . . . ?
Si3 C44 C45 C50 -7.9(3) . . . . ?
C44 C45 C46 C47 0.2(3) . . . . ?
C50 C45 C46 C47 -178.81(18) . . . . ?
C45 C46 C47 C48 2.0(3) . . . . ?
C45 C46 C47 C51 -177.9(2) . . . . ?
C46 C47 C48 C49 -2.0(3) . . . . ?
C51 C47 C48 C49 177.9(2) . . . . ?
C47 C48 C49 C44 -0.3(3) . . . . ?
C47 C48 C49 C52 178.08(18) . . . . ?
C45 C44 C49 C48 2.5(3) . . . . ?
Si3 C44 C49 C48 -173.24(14) . . . . ?
C45 C44 C49 C52 -175.73(17) . . . . ?
Si3 C44 C49 C52 8.5(2) . . . . ?

_refine_diff_density_max         0.478
_refine_diff_density_min         -0.383
_refine_diff_density_rms         0.057



####################################################################### 
# 
# 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_fl190315sq1
_database_code_depnum_ccdc_archive 'CCDC 1952740'
loop_
_audit_author_name
_audit_author_address
'Felicitas Lips'
;Westfaelische Wilhlems Universitaet Muenster
Germany
;
_audit_update_record             
;
2019-09-10 deposited with the CCDC.	2019-09-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C64 H88 N2 O6 P Si3 W'
_chemical_formula_weight         1280.45

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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.1641(8)
_cell_length_b                   14.7127(9)
_cell_length_c                   19.0224(12)
_cell_angle_alpha                69.805(2)
_cell_angle_beta                 71.090(2)
_cell_angle_gamma                70.621(2)
_cell_volume                     3409.9(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9935
_cell_measurement_theta_min      2.34
_cell_measurement_theta_max      27.13

_exptl_crystal_description       plate
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.247
_exptl_crystal_F_000             1330
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.889
_exptl_crystal_size_mid          0.678
_exptl_crystal_size_min          0.478
_exptl_absorpt_coefficient_mu    1.816
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4274
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            39092
_diffrn_reflns_av_unetI/netI     0.0404
_diffrn_reflns_av_R_equivalents  0.0366
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.337
_diffrn_reflns_theta_max         27.147
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measured_fraction_theta_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_point_group_measured_fraction_full 0.982
_reflns_number_total             14787
_reflns_number_gt                13915
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0335P)²+5.8559P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         14787
_refine_ls_number_parameters     715
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0349
_refine_ls_R_factor_gt           0.0324
_refine_ls_wR_factor_ref         0.0847
_refine_ls_wR_factor_gt          0.0834
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_restrained_S_all      1.043
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
W1 W 0.87194(2) 0.33625(2) 0.35576(2) 0.02194(4) Uani 1 1 d . . . . .
P1 P 0.67811(5) 0.38540(5) 0.34573(4) 0.01567(13) Uani 1 1 d . . . . .
Si1 Si 0.63884(5) 0.24838(5) 0.36409(4) 0.01413(14) Uani 1 1 d . . . . .
Si2 Si 0.55172(5) 0.33705(5) 0.22499(4) 0.01361(13) Uani 1 1 d . . . . .
Si3 Si 0.61828(5) 0.46893(5) 0.23557(4) 0.01439(14) Uani 1 1 d . . . . .
O1 O 0.94762(18) 0.15449(18) 0.28106(13) 0.0316(5) Uani 1 1 d . . . . .
O2 O 1.08577(18) 0.27132(18) 0.39583(16) 0.0404(6) Uani 1 1 d . . . . .
O3 O 0.7974(3) 0.5261(2) 0.4230(2) 0.0589(9) Uani 1 1 d . . . . .
O4 O 0.9899(2) 0.4367(2) 0.18796(18) 0.0592(9) Uani 1 1 d . . . . .
O5 O 0.8139(2) 0.2143(2) 0.53047(13) 0.0389(6) Uani 1 1 d . . . . .
N1 N 0.72429(17) 0.07779(17) 0.48815(13) 0.0173(4) Uani 1 1 d . . . . .
N2 N 0.59055(18) 0.18741(17) 0.52976(12) 0.0170(4) Uani 1 1 d . . . . .
C1 C 0.5743(2) 0.22637(19) 0.31035(14) 0.0147(5) Uani 1 1 d . . . . .
C2 C 0.5528(2) 0.1250(2) 0.32020(15) 0.0169(5) Uani 1 1 d . . . . .
C3 C 0.5114(2) 0.0746(2) 0.40560(15) 0.0190(5) Uani 1 1 d . . . . .
H3A H 0.5030 0.0091 0.4103 0.029 Uiso 1 1 calc R U . . .
H3B H 0.4448 0.1166 0.4255 0.029 Uiso 1 1 calc R U . . .
H3C H 0.5603 0.0659 0.4353 0.029 Uiso 1 1 calc R U . . .
C4 C 0.6530(2) 0.0544(2) 0.28821(16) 0.0218(6) Uani 1 1 d . . . . .
H4A H 0.6397 -0.0099 0.2954 0.033 Uiso 1 1 calc R U . . .
H4B H 0.7051 0.0439 0.3157 0.033 Uiso 1 1 calc R U . . .
H4C H 0.6780 0.0841 0.2331 0.033 Uiso 1 1 calc R U . . .
C5 C 0.4744(2) 0.1348(2) 0.27631(15) 0.0198(5) Uani 1 1 d . . . . .
H5A H 0.5045 0.1531 0.2207 0.030 Uiso 1 1 calc R U . . .
H5B H 0.4122 0.1866 0.2892 0.030 Uiso 1 1 calc R U . . .
H5C H 0.4563 0.0708 0.2911 0.030 Uiso 1 1 calc R U . . .
C6 C 0.6531(2) 0.16248(19) 0.46496(15) 0.0161(5) Uani 1 1 d . . . . .
C7 C 0.7067(2) 0.0503(2) 0.56785(15) 0.0199(5) Uani 1 1 d . . . . .
C8 C 0.6230(2) 0.1191(2) 0.59432(15) 0.0187(5) Uani 1 1 d . . . . .
C9 C 0.8032(2) 0.0206(2) 0.43527(16) 0.0209(5) Uani 1 1 d . . . . .
H9 H 0.8005 0.0622 0.3815 0.025 Uiso 1 1 calc R U . . .
C10 C 0.9125(2) 0.0010(2) 0.44290(19) 0.0288(7) Uani 1 1 d . . . . .
H10A H 0.9224 0.0618 0.4468 0.043 Uiso 1 1 calc R U . . .
H10B H 0.9619 -0.0181 0.3975 0.043 Uiso 1 1 calc R U . . .
H10C H 0.9236 -0.0532 0.4893 0.043 Uiso 1 1 calc R U . . .
C11 C 0.7777(2) -0.0768(2) 0.44516(18) 0.0265(6) Uani 1 1 d . . . . .
H11A H 0.7888 -0.1233 0.4947 0.040 Uiso 1 1 calc R U . . .
H11B H 0.8225 -0.1066 0.4032 0.040 Uiso 1 1 calc R U . . .
H11C H 0.7056 -0.0629 0.4439 0.040 Uiso 1 1 calc R U . . .
C12 C 0.7728(2) -0.0355(2) 0.61439(17) 0.0276(6) Uani 1 1 d . . . . .
H12A H 0.8372 -0.0191 0.6082 0.041 Uiso 1 1 calc R U . . .
H12B H 0.7884 -0.0951 0.5965 0.041 Uiso 1 1 calc R U . . .
H12C H 0.7363 -0.0487 0.6689 0.041 Uiso 1 1 calc R U . . .
C13 C 0.5765(3) 0.1265(2) 0.67528(16) 0.0269(6) Uani 1 1 d . . . . .
H13A H 0.6095 0.0670 0.7105 0.040 Uiso 1 1 calc R U . . .
H13B H 0.5025 0.1310 0.6880 0.040 Uiso 1 1 calc R U . . .
H13C H 0.5868 0.1863 0.6805 0.040 Uiso 1 1 calc R U . . .
C14 C 0.4989(2) 0.2740(2) 0.52852(15) 0.0184(5) Uani 1 1 d . . . . .
H14 H 0.4972 0.3061 0.4731 0.022 Uiso 1 1 calc R U . . .
C15 C 0.5100(2) 0.3522(2) 0.55848(16) 0.0240(6) Uani 1 1 d . . . . .
H15A H 0.5119 0.3241 0.6130 0.036 Uiso 1 1 calc R U . . .
H15B H 0.4513 0.4106 0.5531 0.036 Uiso 1 1 calc R U . . .
H15C H 0.5740 0.3724 0.5287 0.036 Uiso 1 1 calc R U . . .
C16 C 0.3993(2) 0.2401(2) 0.56813(18) 0.0261(6) Uani 1 1 d . . . . .
H16A H 0.3994 0.1872 0.5478 0.039 Uiso 1 1 calc R U . . .
H16B H 0.3404 0.2969 0.5582 0.039 Uiso 1 1 calc R U . . .
H16C H 0.3939 0.2145 0.6238 0.039 Uiso 1 1 calc R U . . .
C17 C 0.9161(2) 0.2183(2) 0.31059(17) 0.0231(6) Uani 1 1 d . . . . .
C18 C 1.0071(2) 0.2977(2) 0.3791(2) 0.0308(7) Uani 1 1 d . . . . .
C19 C 0.8259(3) 0.4598(3) 0.3965(2) 0.0362(8) Uani 1 1 d . . . . .
C20 C 0.9398(2) 0.4083(3) 0.2468(2) 0.0384(8) Uani 1 1 d . . . . .
C21 C 0.8287(2) 0.2573(2) 0.46713(18) 0.0263(6) Uani 1 1 d . . . . .
C22 C 0.6177(2) 0.28428(19) 0.13639(14) 0.0163(5) Uani 1 1 d . . . . .
C23 C 0.7271(2) 0.25051(19) 0.11954(15) 0.0175(5) Uani 1 1 d . . . . .
C24 C 0.7808(2) 0.2095(2) 0.05762(16) 0.0232(6) Uani 1 1 d . . . . .
H24 H 0.8539 0.1890 0.0471 0.028 Uiso 1 1 calc R U . . .
C25 C 0.7310(2) 0.1976(2) 0.01094(16) 0.0254(6) Uani 1 1 d . . . . .
C26 C 0.6248(2) 0.2270(2) 0.02816(16) 0.0230(6) Uani 1 1 d . . . . .
H26 H 0.5894 0.2178 -0.0027 0.028 Uiso 1 1 calc R U . . .
C27 C 0.5672(2) 0.2695(2) 0.08899(15) 0.0192(5) Uani 1 1 d . . . . .
C28 C 0.7914(2) 0.2541(2) 0.16746(16) 0.0208(5) Uani 1 1 d . . . . .
H28A H 0.7620 0.3155 0.1844 0.031 Uiso 1 1 calc R U . . .
H28B H 0.8620 0.2529 0.1365 0.031 Uiso 1 1 calc R U . . .
H28C H 0.7921 0.1960 0.2126 0.031 Uiso 1 1 calc R U . . .
C29 C 0.7911(3) 0.1534(3) -0.0566(2) 0.0369(8) Uani 1 1 d . . . . .
H29A H 0.8625 0.1221 -0.0524 0.055 Uiso 1 1 calc R U . . .
H29B H 0.7898 0.2065 -0.1049 0.055 Uiso 1 1 calc R U . . .
H29C H 0.7597 0.1030 -0.0562 0.055 Uiso 1 1 calc R U . . .
C30 C 0.4517(2) 0.2948(2) 0.09951(16) 0.0212(6) Uani 1 1 d . . . . .
H30A H 0.4173 0.3046 0.1510 0.032 Uiso 1 1 calc R U . . .
H30B H 0.4327 0.2398 0.0938 0.032 Uiso 1 1 calc R U . . .
H30C H 0.4304 0.3562 0.0605 0.032 Uiso 1 1 calc R U . . .
C31 C 0.4096(2) 0.40782(19) 0.22885(14) 0.0155(5) Uani 1 1 d . . . . .
C32 C 0.3230(2) 0.3907(2) 0.29006(15) 0.0173(5) Uani 1 1 d . . . . .
C33 C 0.2246(2) 0.4510(2) 0.28432(17) 0.0228(6) Uani 1 1 d . . . . .
H33 H 0.1677 0.4371 0.3259 0.027 Uiso 1 1 calc R U . . .
C34 C 0.2065(2) 0.5300(2) 0.22063(18) 0.0253(6) Uani 1 1 d . . . . .
C35 C 0.2912(2) 0.5480(2) 0.16040(16) 0.0221(6) Uani 1 1 d . . . . .
H35 H 0.2811 0.6017 0.1159 0.027 Uiso 1 1 calc R U . . .
C36 C 0.3900(2) 0.4896(2) 0.16362(15) 0.0179(5) Uani 1 1 d . . . . .
C37 C 0.3251(2) 0.3120(2) 0.36634(15) 0.0198(5) Uani 1 1 d . . . . .
H37A H 0.3966 0.2809 0.3704 0.030 Uiso 1 1 calc R U . . .
H37B H 0.2928 0.2608 0.3693 0.030 Uiso 1 1 calc R U . . .
H37C H 0.2872 0.3432 0.4087 0.030 Uiso 1 1 calc R U . . .
C38 C 0.0997(3) 0.5961(3) 0.2177(2) 0.0427(9) Uani 1 1 d . . . . .
H38A H 0.0852 0.6034 0.1687 0.064 Uiso 1 1 calc R U . . .
H38B H 0.0954 0.6619 0.2219 0.064 Uiso 1 1 calc R U . . .
H38C H 0.0491 0.5657 0.2605 0.064 Uiso 1 1 calc R U . . .
C39 C 0.4753(2) 0.5172(2) 0.09540(15) 0.0211(6) Uani 1 1 d . . . . .
H39A H 0.5283 0.5270 0.1128 0.032 Uiso 1 1 calc R U . . .
H39B H 0.4476 0.5792 0.0594 0.032 Uiso 1 1 calc R U . . .
H39C H 0.5057 0.4634 0.0695 0.032 Uiso 1 1 calc R U . . .
C40 C 0.4986(2) 0.58023(19) 0.24708(15) 0.0166(5) Uani 1 1 d . . . . .
C41 C 0.4164(2) 0.5703(2) 0.31351(15) 0.0173(5) Uani 1 1 d . . . . .
C42 C 0.3263(2) 0.6451(2) 0.32040(16) 0.0219(6) Uani 1 1 d . . . . .
H42 H 0.2733 0.6355 0.3661 0.026 Uiso 1 1 calc R U . . .
C43 C 0.3108(2) 0.7336(2) 0.26289(17) 0.0244(6) Uani 1 1 d . . . . .
C44 C 0.3912(2) 0.7448(2) 0.19778(17) 0.0228(6) Uani 1 1 d . . . . .
H44 H 0.3826 0.8049 0.1576 0.027 Uiso 1 1 calc R U . . .
C45 C 0.4839(2) 0.6722(2) 0.18838(16) 0.0197(5) Uani 1 1 d . . . . .
C46 C 0.4227(2) 0.4795(2) 0.38127(15) 0.0197(5) Uani 1 1 d . . . . .
H46A H 0.4495 0.4191 0.3630 0.030 Uiso 1 1 calc R U . . .
H46B H 0.3538 0.4797 0.4153 0.030 Uiso 1 1 calc R U . . .
H46C H 0.4687 0.4806 0.4097 0.030 Uiso 1 1 calc R U . . .
C47 C 0.2110(3) 0.8133(3) 0.2707(2) 0.0400(8) Uani 1 1 d . . . . .
H47A H 0.1540 0.7858 0.2762 0.060 Uiso 1 1 calc R U . . .
H47B H 0.2148 0.8699 0.2246 0.060 Uiso 1 1 calc R U . . .
H47C H 0.1994 0.8359 0.3162 0.060 Uiso 1 1 calc R U . . .
C48 C 0.5618(2) 0.7025(2) 0.11346(16) 0.0220(6) Uani 1 1 d . . . . .
H48A H 0.5917 0.6471 0.0892 0.033 Uiso 1 1 calc R U . . .
H48B H 0.6165 0.7186 0.1244 0.033 Uiso 1 1 calc R U . . .
H48C H 0.5272 0.7612 0.0786 0.033 Uiso 1 1 calc R U . . .
C49 C 0.7275(2) 0.5305(2) 0.16759(15) 0.0178(5) Uani 1 1 d . . . . .
C50 C 0.7544(2) 0.5955(2) 0.19414(16) 0.0204(5) Uani 1 1 d . . . . .
C51 C 0.8336(2) 0.6424(2) 0.14873(17) 0.0234(6) Uani 1 1 d . . . . .
H51 H 0.8501 0.6855 0.1678 0.028 Uiso 1 1 calc R U . . .
C52 C 0.8887(2) 0.6282(2) 0.07691(17) 0.0250(6) Uani 1 1 d . . . . .
C53 C 0.8603(2) 0.5678(2) 0.04967(16) 0.0233(6) Uani 1 1 d . . . . .
H53 H 0.8967 0.5575 0.0003 0.028 Uiso 1 1 calc R U . . .
C54 C 0.7798(2) 0.5213(2) 0.09216(16) 0.0203(5) Uani 1 1 d . . . . .
C55 C 0.6948(2) 0.6275(2) 0.26693(16) 0.0223(6) Uani 1 1 d . . . . .
H55A H 0.6755 0.5699 0.3080 0.033 Uiso 1 1 calc R U . . .
H55B H 0.6325 0.6797 0.2574 0.033 Uiso 1 1 calc R U . . .
H55C H 0.7378 0.6535 0.2827 0.033 Uiso 1 1 calc R U . . .
C56 C 0.9754(3) 0.6781(3) 0.0299(2) 0.0348(8) Uani 1 1 d . . . . .
H56A H 0.9509 0.7501 0.0253 0.052 Uiso 1 1 calc R U . . .
H56B H 0.9989 0.6669 -0.0215 0.052 Uiso 1 1 calc R U . . .
H56C H 1.0326 0.6498 0.0556 0.052 Uiso 1 1 calc R U . . .
C57 C 0.7472(2) 0.4726(2) 0.04951(16) 0.0238(6) Uani 1 1 d . . . . .
H57A H 0.6939 0.4387 0.0848 0.036 Uiso 1 1 calc R U . . .
H57B H 0.8068 0.4237 0.0289 0.036 Uiso 1 1 calc R U . . .
H57C H 0.7198 0.5236 0.0070 0.036 Uiso 1 1 calc R U . . .
O6 O 0.7162(2) 0.8808(2) 0.80273(17) 0.0576(8) Uani 1 1 d . . . . .
C58 C 0.7629(6) 0.9190(5) 0.8365(5) 0.099(2) Uani 1 1 d . . . . .
H58A H 0.7117 0.9712 0.8604 0.118 Uiso 1 1 calc R U . . .
H58B H 0.8180 0.9488 0.7974 0.118 Uiso 1 1 calc R U . . .
C59 C 0.8066(9) 0.8333(7) 0.8959(5) 0.162(5) Uani 1 1 d . . . . .
H59A H 0.8747 0.8373 0.8966 0.194 Uiso 1 1 calc R U . . .
H59B H 0.7601 0.8323 0.9477 0.194 Uiso 1 1 calc R U . . .
C60 C 0.8162(5) 0.7450(5) 0.8740(3) 0.084(2) Uani 1 1 d . . . . .
H60A H 0.7699 0.7041 0.9128 0.101 Uiso 1 1 calc R U . . .
H60B H 0.8880 0.7035 0.8675 0.101 Uiso 1 1 calc R U . . .
C61 C 0.7850(3) 0.7876(3) 0.7990(2) 0.0530(11) Uani 1 1 d . . . . .
H61A H 0.8458 0.7957 0.7554 0.064 Uiso 1 1 calc R U . . .
H61B H 0.7510 0.7434 0.7921 0.064 Uiso 1 1 calc R U . . .
C62 C 0.6381(4) 0.9421(4) 0.1211(3) 0.0657(13) Uani 1 1 d . . . . .
H62A H 0.6245 0.9357 0.1763 0.099 Uiso 1 1 calc R U . . .
H62B H 0.6778 0.8777 0.1105 0.099 Uiso 1 1 calc R U . . .
H62C H 0.6775 0.9925 0.0915 0.099 Uiso 1 1 calc R U . . .
C63 C 0.5389(4) 0.9731(4) 0.0982(3) 0.0622(13) Uani 1 1 d . . . . .
H63A H 0.4986 1.0374 0.1104 0.075 Uiso 1 1 calc R U . . .
H63B H 0.4989 0.9227 0.1294 0.075 Uiso 1 1 calc R U . . .
C64 C 0.5514(4) 0.9853(4) 0.0131(3) 0.0596(12) Uani 1 1 d . . . . .
H64A H 0.5941 0.9216 0.0009 0.072 Uiso 1 1 calc R U . . .
H64B H 0.5898 1.0371 -0.0176 0.072 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
W1 C18 1.961(3) . ?
W1 C17 2.025(3) . ?
W1 C21 2.036(3) . ?
W1 C19 2.047(4) . ?
W1 C20 2.053(4) . ?
W1 P1 2.6502(7) . ?
P1 Si1 2.1512(10) . ?
P1 Si3 2.3025(9) . ?
Si1 C1 1.737(3) . ?
Si1 C6 1.931(3) . ?
Si2 C1 1.886(3) . ?
Si2 C31 1.926(3) . ?
Si2 C22 1.928(3) . ?
Si2 Si3 2.5101(10) . ?
Si3 C49 1.927(3) . ?
Si3 C40 1.941(3) . ?
O1 C17 1.149(4) . ?
O2 C18 1.161(4) . ?
O3 C19 1.146(4) . ?
O4 C20 1.135(4) . ?
O5 C21 1.137(4) . ?
N1 C6 1.356(3) . ?
N1 C7 1.387(3) . ?
N1 C9 1.483(4) . ?
N2 C6 1.352(3) . ?
N2 C8 1.392(3) . ?
N2 C14 1.487(3) . ?
C1 C2 1.557(4) . ?
C2 C4 1.537(4) . ?
C2 C5 1.537(4) . ?
C2 C3 1.540(3) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C7 C8 1.360(4) . ?
C7 C12 1.495(4) . ?
C8 C13 1.493(4) . ?
C9 C10 1.524(4) . ?
C9 C11 1.527(4) . ?
C9 H9 1.0000 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C15 1.518(4) . ?
C14 C16 1.525(4) . ?
C14 H14 1.0000 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C22 C27 1.423(4) . ?
C22 C23 1.424(4) . ?
C23 C24 1.392(4) . ?
C23 C28 1.506(4) . ?
C24 C25 1.383(4) . ?
C24 H24 0.9500 . ?
C25 C26 1.380(4) . ?
C25 C29 1.516(4) . ?
C26 C27 1.395(4) . ?
C26 H26 0.9500 . ?
C27 C30 1.513(4) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.414(4) . ?
C31 C36 1.426(3) . ?
C32 C33 1.397(4) . ?
C32 C37 1.514(4) . ?
C33 C34 1.384(4) . ?
C33 H33 0.9500 . ?
C34 C35 1.390(4) . ?
C34 C38 1.510(4) . ?
C35 C36 1.386(4) . ?
C35 H35 0.9500 . ?
C36 C39 1.502(4) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 C41 1.416(4) . ?
C40 C45 1.429(4) . ?
C41 C42 1.384(4) . ?
C41 C46 1.503(4) . ?
C42 C43 1.387(4) . ?
C42 H42 0.9500 . ?
C43 C44 1.388(4) . ?
C43 C47 1.510(4) . ?
C44 C45 1.395(4) . ?
C44 H44 0.9500 . ?
C45 C48 1.522(4) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C54 1.416(4) . ?
C49 C50 1.419(4) . ?
C50 C51 1.398(4) . ?
C50 C55 1.510(4) . ?
C51 C52 1.385(4) . ?
C51 H51 0.9500 . ?
C52 C53 1.382(4) . ?
C52 C56 1.510(4) . ?
C53 C54 1.400(4) . ?
C53 H53 0.9500 . ?
C54 C57 1.499(4) . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
O6 C58 1.392(7) . ?
O6 C61 1.403(5) . ?
C58 C59 1.484(9) . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C59 C60 1.449(11) . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
C60 C61 1.493(6) . ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C62 C63 1.485(7) . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 C64 1.523(7) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 C64 1.570(10) 2_675 ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?

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
C18 W1 C17 89.44(13) . . ?
C18 W1 C21 83.68(13) . . ?
C17 W1 C21 95.59(12) . . ?
C18 W1 C19 92.07(13) . . ?
C17 W1 C19 177.25(13) . . ?
C21 W1 C19 86.86(14) . . ?
C18 W1 C20 86.72(14) . . ?
C17 W1 C20 83.79(14) . . ?
C21 W1 C20 170.40(13) . . ?
C19 W1 C20 94.00(16) . . ?
C18 W1 P1 171.75(10) . . ?
C17 W1 P1 94.84(8) . . ?
C21 W1 P1 88.87(9) . . ?
C19 W1 P1 83.96(9) . . ?
C20 W1 P1 100.73(10) . . ?
Si1 P1 Si3 95.90(4) . . ?
Si1 P1 W1 106.81(3) . . ?
Si3 P1 W1 126.21(3) . . ?
C1 Si1 C6 122.06(12) . . ?
C1 Si1 P1 126.63(9) . . ?
C6 Si1 P1 109.58(8) . . ?
C1 Si2 C31 114.95(11) . . ?
C1 Si2 C22 104.84(11) . . ?
C31 Si2 C22 113.39(11) . . ?
C1 Si2 Si3 106.49(8) . . ?
C31 Si2 Si3 99.79(8) . . ?
C22 Si2 Si3 117.62(8) . . ?
C49 Si3 C40 104.45(12) . . ?
C49 Si3 P1 102.88(9) . . ?
C40 Si3 P1 114.27(8) . . ?
C49 Si3 Si2 130.48(9) . . ?
C40 Si3 Si2 105.00(8) . . ?
P1 Si3 Si2 100.07(3) . . ?
C6 N1 C7 109.7(2) . . ?
C6 N1 C9 124.0(2) . . ?
C7 N1 C9 126.2(2) . . ?
C6 N2 C8 110.1(2) . . ?
C6 N2 C14 122.6(2) . . ?
C8 N2 C14 127.2(2) . . ?
C2 C1 Si1 126.45(18) . . ?
C2 C1 Si2 122.07(17) . . ?
Si1 C1 Si2 110.73(14) . . ?
C4 C2 C5 106.3(2) . . ?
C4 C2 C3 108.7(2) . . ?
C5 C2 C3 107.2(2) . . ?
C4 C2 C1 109.5(2) . . ?
C5 C2 C1 113.6(2) . . ?
C3 C2 C1 111.4(2) . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C2 C4 H4A 109.5 . . ?
C2 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C2 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C2 C5 H5A 109.5 . . ?
C2 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C2 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
N2 C6 N1 106.4(2) . . ?
N2 C6 Si1 121.23(19) . . ?
N1 C6 Si1 132.1(2) . . ?
C8 C7 N1 107.3(2) . . ?
C8 C7 C12 127.2(3) . . ?
N1 C7 C12 125.4(3) . . ?
C7 C8 N2 106.5(2) . . ?
C7 C8 C13 128.4(3) . . ?
N2 C8 C13 125.1(3) . . ?
N1 C9 C10 113.3(2) . . ?
N1 C9 C11 111.0(2) . . ?
C10 C9 C11 111.0(2) . . ?
N1 C9 H9 107.1 . . ?
C10 C9 H9 107.1 . . ?
C11 C9 H9 107.1 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C7 C12 H12A 109.5 . . ?
C7 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C7 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C8 C13 H13A 109.5 . . ?
C8 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C8 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N2 C14 C15 111.3(2) . . ?
N2 C14 C16 111.4(2) . . ?
C15 C14 C16 114.3(2) . . ?
N2 C14 H14 106.4 . . ?
C15 C14 H14 106.4 . . ?
C16 C14 H14 106.4 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O1 C17 W1 174.6(3) . . ?
O2 C18 W1 176.8(3) . . ?
O3 C19 W1 176.3(4) . . ?
O4 C20 W1 169.8(3) . . ?
O5 C21 W1 172.6(3) . . ?
C27 C22 C23 116.5(2) . . ?
C27 C22 Si2 126.3(2) . . ?
C23 C22 Si2 117.12(19) . . ?
C24 C23 C22 121.0(3) . . ?
C24 C23 C28 115.9(2) . . ?
C22 C23 C28 123.1(2) . . ?
C25 C24 C23 121.9(3) . . ?
C25 C24 H24 119.0 . . ?
C23 C24 H24 119.0 . . ?
C26 C25 C24 117.7(3) . . ?
C26 C25 C29 121.2(3) . . ?
C24 C25 C29 121.1(3) . . ?
C25 C26 C27 122.7(3) . . ?
C25 C26 H26 118.7 . . ?
C27 C26 H26 118.7 . . ?
C26 C27 C22 120.2(3) . . ?
C26 C27 C30 114.7(2) . . ?
C22 C27 C30 125.1(2) . . ?
C23 C28 H28A 109.5 . . ?
C23 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C23 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C25 C29 H29A 109.5 . . ?
C25 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C25 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C27 C30 H30A 109.5 . . ?
C27 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C27 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 C36 116.3(2) . . ?
C32 C31 Si2 127.56(19) . . ?
C36 C31 Si2 116.08(19) . . ?
C33 C32 C31 120.3(2) . . ?
C33 C32 C37 113.7(2) . . ?
C31 C32 C37 125.9(2) . . ?
C34 C33 C32 122.8(3) . . ?
C34 C33 H33 118.6 . . ?
C32 C33 H33 118.6 . . ?
C33 C34 C35 117.3(3) . . ?
C33 C34 C38 121.4(3) . . ?
C35 C34 C38 121.3(3) . . ?
C36 C35 C34 121.7(3) . . ?
C36 C35 H35 119.2 . . ?
C34 C35 H35 119.2 . . ?
C35 C36 C31 121.6(3) . . ?
C35 C36 C39 116.7(2) . . ?
C31 C36 C39 121.7(2) . . ?
C32 C37 H37A 109.5 . . ?
C32 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C32 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C34 C38 H38A 109.5 . . ?
C34 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C34 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C36 C39 H39A 109.5 . . ?
C36 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C36 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C41 C40 C45 116.3(2) . . ?
C41 C40 Si3 120.29(19) . . ?
C45 C40 Si3 123.2(2) . . ?
C42 C41 C40 121.6(2) . . ?
C42 C41 C46 116.1(2) . . ?
C40 C41 C46 122.2(2) . . ?
C41 C42 C43 122.3(3) . . ?
C41 C42 H42 118.9 . . ?
C43 C42 H42 118.9 . . ?
C42 C43 C44 116.7(3) . . ?
C42 C43 C47 121.5(3) . . ?
C44 C43 C47 121.8(3) . . ?
C43 C44 C45 123.2(3) . . ?
C43 C44 H44 118.4 . . ?
C45 C44 H44 118.4 . . ?
C44 C45 C40 119.8(3) . . ?
C44 C45 C48 113.8(2) . . ?
C40 C45 C48 126.3(3) . . ?
C41 C46 H46A 109.5 . . ?
C41 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C41 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C43 C47 H47A 109.5 . . ?
C43 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C43 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C45 C48 H48A 109.5 . . ?
C45 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C45 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C54 C49 C50 116.9(2) . . ?
C54 C49 Si3 126.3(2) . . ?
C50 C49 Si3 116.79(19) . . ?
C51 C50 C49 120.4(3) . . ?
C51 C50 C55 115.4(3) . . ?
C49 C50 C55 123.8(2) . . ?
C52 C51 C50 122.3(3) . . ?
C52 C51 H51 118.9 . . ?
C50 C51 H51 118.9 . . ?
C53 C52 C51 117.4(3) . . ?
C53 C52 C56 121.5(3) . . ?
C51 C52 C56 121.1(3) . . ?
C52 C53 C54 122.4(3) . . ?
C52 C53 H53 118.8 . . ?
C54 C53 H53 118.8 . . ?
C53 C54 C49 120.4(3) . . ?
C53 C54 C57 115.6(2) . . ?
C49 C54 C57 123.7(2) . . ?
C50 C55 H55A 109.5 . . ?
C50 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C50 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C52 C56 H56A 109.5 . . ?
C52 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C52 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C54 C57 H57A 109.5 . . ?
C54 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C54 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C58 O6 C61 102.5(4) . . ?
O6 C58 C59 106.2(6) . . ?
O6 C58 H58A 110.5 . . ?
C59 C58 H58A 110.5 . . ?
O6 C58 H58B 110.5 . . ?
C59 C58 H58B 110.5 . . ?
H58A C58 H58B 108.7 . . ?
C60 C59 C58 105.3(5) . . ?
C60 C59 H59A 110.7 . . ?
C58 C59 H59A 110.7 . . ?
C60 C59 H59B 110.7 . . ?
C58 C59 H59B 110.7 . . ?
H59A C59 H59B 108.8 . . ?
C59 C60 C61 103.0(5) . . ?
C59 C60 H60A 111.2 . . ?
C61 C60 H60A 111.2 . . ?
C59 C60 H60B 111.2 . . ?
C61 C60 H60B 111.2 . . ?
H60A C60 H60B 109.1 . . ?
O6 C61 C60 105.6(4) . . ?
O6 C61 H61A 110.6 . . ?
C60 C61 H61A 110.6 . . ?
O6 C61 H61B 110.6 . . ?
C60 C61 H61B 110.6 . . ?
H61A C61 H61B 108.7 . . ?
C63 C62 H62A 109.5 . . ?
C63 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C63 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C62 C63 C64 113.7(4) . . ?
C62 C63 H63A 108.8 . . ?
C64 C63 H63A 108.8 . . ?
C62 C63 H63B 108.8 . . ?
C64 C63 H63B 108.8 . . ?
H63A C63 H63B 107.7 . . ?
C63 C64 C64 115.5(5) . 2_675 ?
C63 C64 H64A 108.4 . . ?
C64 C64 H64A 108.4 2_675 . ?
C63 C64 H64B 108.4 . . ?
C64 C64 H64B 108.4 2_675 . ?
H64A C64 H64B 107.5 . . ?

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
C6 Si1 C1 C2 -21.2(3) . . . . ?
P1 Si1 C1 C2 175.42(17) . . . . ?
C6 Si1 C1 Si2 168.62(12) . . . . ?
P1 Si1 C1 Si2 5.20(19) . . . . ?
C31 Si2 C1 C2 76.5(2) . . . . ?
C22 Si2 C1 C2 -48.7(2) . . . . ?
Si3 Si2 C1 C2 -174.06(18) . . . . ?
C31 Si2 C1 Si1 -112.80(14) . . . . ?
C22 Si2 C1 Si1 122.01(14) . . . . ?
Si3 Si2 C1 Si1 -3.34(15) . . . . ?
Si1 C1 C2 C4 -73.9(3) . . . . ?
Si2 C1 C2 C4 95.2(2) . . . . ?
Si1 C1 C2 C5 167.4(2) . . . . ?
Si2 C1 C2 C5 -23.4(3) . . . . ?
Si1 C1 C2 C3 46.3(3) . . . . ?
Si2 C1 C2 C3 -144.50(19) . . . . ?
C8 N2 C6 N1 0.9(3) . . . . ?
C14 N2 C6 N1 -176.9(2) . . . . ?
C8 N2 C6 Si1 -173.86(18) . . . . ?
C14 N2 C6 Si1 8.4(3) . . . . ?
C7 N1 C6 N2 -0.7(3) . . . . ?
C9 N1 C6 N2 175.1(2) . . . . ?
C7 N1 C6 Si1 173.2(2) . . . . ?
C9 N1 C6 Si1 -11.0(4) . . . . ?
C6 N1 C7 C8 0.3(3) . . . . ?
C9 N1 C7 C8 -175.4(2) . . . . ?
C6 N1 C7 C12 -176.2(3) . . . . ?
C9 N1 C7 C12 8.2(4) . . . . ?
N1 C7 C8 N2 0.3(3) . . . . ?
C12 C7 C8 N2 176.6(3) . . . . ?
N1 C7 C8 C13 -176.2(3) . . . . ?
C12 C7 C8 C13 0.2(5) . . . . ?
C6 N2 C8 C7 -0.7(3) . . . . ?
C14 N2 C8 C7 176.9(2) . . . . ?
C6 N2 C8 C13 175.9(3) . . . . ?
C14 N2 C8 C13 -6.5(4) . . . . ?
C6 N1 C9 C10 127.3(3) . . . . ?
C7 N1 C9 C10 -57.6(4) . . . . ?
C6 N1 C9 C11 -107.1(3) . . . . ?
C7 N1 C9 C11 68.0(3) . . . . ?
C6 N2 C14 C15 -116.7(3) . . . . ?
C8 N2 C14 C15 65.9(3) . . . . ?
C6 N2 C14 C16 114.5(3) . . . . ?
C8 N2 C14 C16 -62.9(3) . . . . ?
C27 C22 C23 C24 2.7(4) . . . . ?
Si2 C22 C23 C24 178.7(2) . . . . ?
C27 C22 C23 C28 -175.7(2) . . . . ?
Si2 C22 C23 C28 0.3(3) . . . . ?
C22 C23 C24 C25 -1.4(4) . . . . ?
C28 C23 C24 C25 177.1(3) . . . . ?
C23 C24 C25 C26 -0.7(4) . . . . ?
C23 C24 C25 C29 179.6(3) . . . . ?
C24 C25 C26 C27 1.5(4) . . . . ?
C29 C25 C26 C27 -178.8(3) . . . . ?
C25 C26 C27 C22 -0.1(4) . . . . ?
C25 C26 C27 C30 -178.8(3) . . . . ?
C23 C22 C27 C26 -2.0(4) . . . . ?
Si2 C22 C27 C26 -177.5(2) . . . . ?
C23 C22 C27 C30 176.6(2) . . . . ?
Si2 C22 C27 C30 1.1(4) . . . . ?
C36 C31 C32 C33 1.1(4) . . . . ?
Si2 C31 C32 C33 178.3(2) . . . . ?
C36 C31 C32 C37 -177.0(2) . . . . ?
Si2 C31 C32 C37 0.2(4) . . . . ?
C31 C32 C33 C34 -1.1(4) . . . . ?
C37 C32 C33 C34 177.2(3) . . . . ?
C32 C33 C34 C35 0.5(4) . . . . ?
C32 C33 C34 C38 -177.6(3) . . . . ?
C33 C34 C35 C36 -0.1(4) . . . . ?
C38 C34 C35 C36 178.0(3) . . . . ?
C34 C35 C36 C31 0.3(4) . . . . ?
C34 C35 C36 C39 -179.2(3) . . . . ?
C32 C31 C36 C35 -0.7(4) . . . . ?
Si2 C31 C36 C35 -178.2(2) . . . . ?
C32 C31 C36 C39 178.7(2) . . . . ?
Si2 C31 C36 C39 1.2(3) . . . . ?
C45 C40 C41 C42 1.0(4) . . . . ?
Si3 C40 C41 C42 -174.3(2) . . . . ?
C45 C40 C41 C46 -177.5(2) . . . . ?
Si3 C40 C41 C46 7.3(3) . . . . ?
C40 C41 C42 C43 0.4(4) . . . . ?
C46 C41 C42 C43 178.9(3) . . . . ?
C41 C42 C43 C44 -1.0(4) . . . . ?
C41 C42 C43 C47 178.5(3) . . . . ?
C42 C43 C44 C45 0.3(4) . . . . ?
C47 C43 C44 C45 -179.3(3) . . . . ?
C43 C44 C45 C40 1.1(4) . . . . ?
C43 C44 C45 C48 -178.2(3) . . . . ?
C41 C40 C45 C44 -1.6(4) . . . . ?
Si3 C40 C45 C44 173.5(2) . . . . ?
C41 C40 C45 C48 177.5(2) . . . . ?
Si3 C40 C45 C48 -7.4(4) . . . . ?
C54 C49 C50 C51 -3.9(4) . . . . ?
Si3 C49 C50 C51 179.3(2) . . . . ?
C54 C49 C50 C55 169.4(3) . . . . ?
Si3 C49 C50 C55 -7.4(4) . . . . ?
C49 C50 C51 C52 0.1(4) . . . . ?
C55 C50 C51 C52 -173.8(3) . . . . ?
C50 C51 C52 C53 2.2(4) . . . . ?
C50 C51 C52 C56 -178.6(3) . . . . ?
C51 C52 C53 C54 -0.5(4) . . . . ?
C56 C52 C53 C54 -179.7(3) . . . . ?
C52 C53 C54 C49 -3.5(4) . . . . ?
C52 C53 C54 C57 170.2(3) . . . . ?
C50 C49 C54 C53 5.6(4) . . . . ?
Si3 C49 C54 C53 -178.0(2) . . . . ?
C50 C49 C54 C57 -167.6(3) . . . . ?
Si3 C49 C54 C57 8.8(4) . . . . ?
C61 O6 C58 C59 -38.6(7) . . . . ?
O6 C58 C59 C60 20.8(10) . . . . ?
C58 C59 C60 C61 4.5(9) . . . . ?
C58 O6 C61 C60 41.8(6) . . . . ?
C59 C60 C61 O6 -28.4(7) . . . . ?
C62 C63 C64 C64 178.2(5) . . . 2_675 ?

_refine_diff_density_max         1.828
_refine_diff_density_min         -1.784
_refine_diff_density_rms         0.091



