# Supplementary Information (SI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_tx15667_autored
_database_code_depnum_ccdc_archive 'CCDC 2479654'
loop_
_audit_author_name
_audit_author_address
'wang chuangxin'
;Institute of Chemistry Chinese Academy of Sciences
China
;
_audit_update_record             
;
2025-08-11 deposited with the CCDC.	2025-08-25 downloaded from the CCDC.
;
_audit_creation_date             2025-02-21
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C54 H49 O2 P4 W, C3 H3'
_chemical_formula_sum            'C57 H52 O2 P4 W'
_chemical_formula_weight         1076.71
_chemical_melting_point          ?
_chemical_oxdiff_formula         WCHONPBrSiPdK
_chemical_oxdiff_usercomment     WCHONPBrSiPdK
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -5.4734 5.5774 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.31870(10)
_cell_length_b                   14.27450(10)
_cell_length_c                   27.5403(2)
_cell_angle_alpha                90
_cell_angle_beta                 95.3690(10)
_cell_angle_gamma                90
_cell_volume                     4821.53(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    25810
_cell_measurement_temperature    170.00(10)
_cell_measurement_theta_max      77.4400
_cell_measurement_theta_min      3.2130
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    6.022
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.46776
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.96a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'light green'
_exptl_crystal_density_diffrn    1.483
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             2176
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0334
_diffrn_reflns_av_unetI/netI     0.0298
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.959
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            35366
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.959
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         77.655
_diffrn_reflns_theta_min         3.224
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      170.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    117.00 178.00   0.50    0.08    --  108.85  45.00 -90.00  122
  2  ω    108.00 133.00   0.50    0.08    --  108.85  84.00 -38.00   50
  3  ω    -20.00  45.00   0.50    0.05    --   46.57 -38.00  90.00  130
  4  ω     41.00  74.00   0.50    0.08    --  108.85 -61.00 150.00   66
  5  ω     42.00  74.00   0.50    0.08    --  108.85 -61.00  90.00   64
  6  ω     39.00 100.00   0.50    0.08    --  108.85-125.00 -60.00  122
  7  ω     44.00  97.00   0.50    0.08    --  108.85 -84.00-159.00  106
  8  ω     45.00 111.00   0.50    0.08    --  108.85-125.00-180.00  132
  9  ω    -24.00  65.00   0.50    0.05    --   46.57 -84.00-159.00  178
 10  ω     76.00 106.00   0.50    0.08    --  108.85 -94.00  60.00   60
 11  ω     41.00  97.00   0.50    0.08    --  108.85-125.00 120.00  112
 12  ω    -16.00  24.00   0.50    0.05    --  -46.57  19.00  30.00   80
 13  ω    -15.00  28.00   0.50    0.05    --  -46.57  19.00 -30.00   86
 14  ω    -20.00  27.00   0.50    0.05    --  -46.57  19.00 -60.00   94
 15  ω    -65.00 -39.00   0.50    0.08    -- -104.50  61.00  90.00   52
 16  ω    -68.00 -43.00   0.50    0.08    -- -104.50  61.00 150.00   50
 17  ω    -64.00 -34.00   0.50    0.08    -- -104.50 125.00 120.00   60
 18  ω    -65.00 -34.00   0.50    0.05    --  -46.57  84.00 -38.00   62
 19  ω    -15.00  24.00   0.50    0.05    --  -46.57  84.00 -38.00   78
 20  ω   -111.00 -76.00   0.50    0.08    -- -104.50 125.00 120.00   70
 21  ω   -110.00 -35.00   0.50    0.08    -- -104.50 125.00 -30.00  150
 22  ω    -92.00 -53.00   0.50    0.08    -- -104.50  84.00 -38.00   78
 23  ω   -170.00-127.00   0.50    0.08    -- -104.50 -30.00 120.00   86
 24  ω   -174.00 -79.00   0.50    0.08    -- -104.50 -84.00-159.00  190
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.1218104000
_diffrn_orient_matrix_UB_12      0.0151868000
_diffrn_orient_matrix_UB_13      0.0060217000
_diffrn_orient_matrix_UB_21      0.0273787000
_diffrn_orient_matrix_UB_22      0.0934894000
_diffrn_orient_matrix_UB_23      0.0263252000
_diffrn_orient_matrix_UB_31      -0.0136109000
_diffrn_orient_matrix_UB_32      0.0517970000
_diffrn_orient_matrix_UB_33      -0.0492612000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'PhotonJet R (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9047
_reflns_number_total             9850
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.96a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.96a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.96a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine 1.5 (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         0.762
_refine_diff_density_min         -0.986
_refine_diff_density_rms         0.079
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     577
_refine_ls_number_reflns         9850
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0281
_refine_ls_R_factor_gt           0.0254
_refine_ls_restrained_S_all      1.078
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0322P)²+3.3062P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0649
_refine_ls_wR_factor_ref         0.0664
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C32(H32A,H32B), C56(H56A,H56B), C55(H55A,H55B), C57(H57A,H57B), C54(H54A,H54B)
2.b Aromatic/amide H refined with riding coordinates:
 C10(H10), C15(H15), C20(H20), C25(H25), C30(H30), C34(H34), C14(H14),
 C35(H35), C40(H40), C44(H44), C36(H36), C29(H29), C45(H45), C39(H39), C31(H31),
  C41(H41), C19(H19), C21(H21), C46(H46), C24(H24), C33(H33), C16(H16),
 C22(H22), C37(H37), C47(H47), C42(H42), C43(H43), C17(H17), C26(H26), C38(H38),
  C23(H23), C49(H49), C11(H11), C18(H18), C48(H48), C28(H28), C27(H27),
 C12(H12), C13(H13), C51(H51), C50(H50), C52(H52)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 0.28653(2) 0.40174(2) 0.33301(2) 0.01717(4) Uani 1 1 d . . . . .
P2 P 0.27759(5) 0.22877(4) 0.35012(2) 0.01939(11) Uani 1 1 d . . . . .
P3 P 0.19149(5) 0.49191(4) 0.39202(2) 0.02115(12) Uani 1 1 d . . . . .
P4 P 0.43572(5) 0.42174(4) 0.40141(2) 0.02065(12) Uani 1 1 d . . . . .
P5 P 0.38242(5) 0.33930(4) 0.26688(2) 0.02063(12) Uani 1 1 d . . . . .
O6 O 0.05946(15) 0.37854(14) 0.27353(7) 0.0312(4) Uani 1 1 d . . . . .
O8 O 0.31795(18) 0.58431(13) 0.27373(8) 0.0371(5) Uani 1 1 d . . . . .
C7 C 0.1456(2) 0.38672(16) 0.29444(9) 0.0233(5) Uani 1 1 d . . . . .
C9 C 0.3065(2) 0.51959(16) 0.29810(9) 0.0239(5) Uani 1 1 d . . . . .
C10 C 0.3731(3) 0.0886(2) 0.41421(11) 0.0352(6) Uani 1 1 d . . . . .
H10 H 0.403762 0.062838 0.386748 0.042 Uiso 1 1 calc R U . . .
C15 C 0.0829(2) 0.40704(18) 0.46757(10) 0.0314(6) Uani 1 1 d . . . . .
H15 H 0.150016 0.412558 0.487379 0.038 Uiso 1 1 calc R U . . .
C20 C 0.0530(2) 0.21571(19) 0.34935(10) 0.0310(6) Uani 1 1 d . . . . .
H20 H 0.060829 0.273006 0.366873 0.037 Uiso 1 1 calc R U . . .
C25 C 0.4900(3) 0.60642(19) 0.37922(11) 0.0368(7) Uani 1 1 d . . . . .
H25 H 0.415377 0.611372 0.367184 0.044 Uiso 1 1 calc R U . . .
C30 C 0.5746(2) 0.44211(18) 0.28369(9) 0.0275(5) Uani 1 1 d . . . . .
H30 H 0.527367 0.490162 0.292960 0.033 Uiso 1 1 calc R U . . .
C34 C 0.6018(2) 0.2872(2) 0.25395(11) 0.0339(6) Uani 1 1 d . . . . .
H34 H 0.573626 0.228650 0.242140 0.041 Uiso 1 1 calc R U . . .
C14 C 0.2653(2) 0.20510(19) 0.44967(9) 0.0307(5) Uani 1 1 d . . . . .
H14 H 0.221423 0.259877 0.446638 0.037 Uiso 1 1 calc R U . . .
C35 C 0.2288(2) 0.35856(19) 0.18591(9) 0.0298(5) Uani 1 1 d . . . . .
H35 H 0.185806 0.317684 0.203438 0.036 Uiso 1 1 calc R U . . .
C40 C 0.5926(2) 0.28439(19) 0.39136(10) 0.0303(5) Uani 1 1 d . . . . .
H40 H 0.587673 0.304817 0.358400 0.036 Uiso 1 1 calc R U . . .
C44 C 0.5372(2) 0.2959(2) 0.47224(10) 0.0333(6) Uani 1 1 d . . . . .
H44 H 0.494691 0.324565 0.495148 0.040 Uiso 1 1 calc R U . . .
C36 C 0.1862(3) 0.3942(2) 0.14107(10) 0.0355(6) Uani 1 1 d . . . . .
H36 H 0.114536 0.377601 0.128184 0.043 Uiso 1 1 calc R U . . .
C29 C 0.6405(2) 0.5164(2) 0.41622(9) 0.0326(6) Uani 1 1 d . . . . .
H29 H 0.668833 0.459772 0.430423 0.039 Uiso 1 1 calc R U . . .
C45 C 0.0827(2) 0.6135(2) 0.32334(11) 0.0337(6) Uani 1 1 d . . . . .
H45 H 0.072147 0.558805 0.303829 0.040 Uiso 1 1 calc R U . . .
C39 C 0.3951(2) 0.4407(2) 0.17891(10) 0.0343(6) Uani 1 1 d . . . . .
H39 H 0.467256 0.456825 0.191296 0.041 Uiso 1 1 calc R U . . .
C31 C 0.6857(2) 0.4582(2) 0.28656(10) 0.0330(6) Uani 1 1 d . . . . .
H31 H 0.713927 0.517373 0.297309 0.040 Uiso 1 1 calc R U . . .
C41 C 0.6637(2) 0.2124(2) 0.40628(12) 0.0384(6) Uani 1 1 d . . . . .
H41 H 0.707509 0.184240 0.383701 0.046 Uiso 1 1 calc R U . . .
C19 C -0.0261(2) 0.4345(2) 0.39221(10) 0.0343(6) Uani 1 1 d . . . . .
H19 H -0.034652 0.459234 0.360067 0.041 Uiso 1 1 calc R U . . .
C21 C -0.0499(2) 0.1768(2) 0.33955(11) 0.0402(7) Uani 1 1 d . . . . .
H21 H -0.111670 0.207331 0.350526 0.048 Uiso 1 1 calc R U . . .
C46 C 0.0446(3) 0.6992(2) 0.30468(11) 0.0402(7) Uani 1 1 d . . . . .
H46 H 0.005288 0.702247 0.273363 0.048 Uiso 1 1 calc R U . . .
C24 C 0.1314(3) 0.08834(18) 0.30875(10) 0.0331(6) Uani 1 1 d . . . . .
H24 H 0.193130 0.057159 0.298137 0.040 Uiso 1 1 calc R U . . .
C33 C 0.7141(2) 0.3028(2) 0.25760(13) 0.0431(7) Uani 1 1 d . . . . .
H33 H 0.761788 0.254533 0.248966 0.052 Uiso 1 1 calc R U . . .
C16 C -0.0045(3) 0.3629(2) 0.48599(11) 0.0409(7) Uani 1 1 d . . . . .
H16 H 0.002838 0.338827 0.518286 0.049 Uiso 1 1 calc R U . . .
C32 C 0.7561(2) 0.3884(2) 0.27380(12) 0.0394(7) Uani 1 1 d . . . . .
H32A H 0.798348 0.414023 0.247960 0.047 Uiso 1 1 calc R U . . .
H32B H 0.808618 0.376305 0.302572 0.047 Uiso 1 1 calc R U . . .
C22 C -0.0628(3) 0.0938(2) 0.31382(12) 0.0435(8) Uani 1 1 d . . . . .
H22 H -0.133310 0.067572 0.306555 0.052 Uiso 1 1 calc R U . . .
C37 C 0.2479(3) 0.4536(2) 0.11539(10) 0.0385(7) Uani 1 1 d . . . . .
H37 H 0.218903 0.478523 0.084921 0.046 Uiso 1 1 calc R U . . .
C47 C 0.0642(3) 0.7796(2) 0.33178(12) 0.0483(8) Uani 1 1 d . . . . .
H47 H 0.040265 0.838590 0.318820 0.058 Uiso 1 1 calc R U . . .
C42 C 0.6706(2) 0.1815(2) 0.45421(13) 0.0430(7) Uani 1 1 d . . . . .
H42 H 0.718537 0.131674 0.464413 0.052 Uiso 1 1 calc R U . . .
C43 C 0.6078(3) 0.2231(2) 0.48699(12) 0.0419(7) Uani 1 1 d . . . . .
H43 H 0.612671 0.201915 0.519830 0.050 Uiso 1 1 calc R U . . .
C17 C -0.1022(3) 0.3538(2) 0.45755(12) 0.0434(7) Uani 1 1 d . . . . .
H17 H -0.162036 0.323002 0.470031 0.052 Uiso 1 1 calc R U . . .
C26 C 0.5591(3) 0.6833(2) 0.37696(11) 0.0486(8) Uani 1 1 d . . . . .
H26 H 0.530823 0.741008 0.364057 0.058 Uiso 1 1 calc R U . . .
C38 C 0.3519(3) 0.4765(2) 0.13419(10) 0.0407(7) Uani 1 1 d . . . . .
H38 H 0.394769 0.517252 0.116468 0.049 Uiso 1 1 calc R U . . .
C23 C 0.0276(3) 0.0493(2) 0.29880(11) 0.0425(7) Uani 1 1 d . . . . .
H23 H 0.019341 -0.008342 0.281575 0.051 Uiso 1 1 calc R U . . .
C49 C 0.1530(3) 0.6881(2) 0.39733(11) 0.0428(7) Uani 1 1 d . . . . .
H49 H 0.188192 0.685233 0.429492 0.051 Uiso 1 1 calc R U . . .
C11 C 0.3905(3) 0.0450(2) 0.45926(11) 0.0445(7) Uani 1 1 d . . . . .
H11 H 0.432920 -0.010642 0.462547 0.053 Uiso 1 1 calc R U . . .
C18 C -0.1124(2) 0.3897(2) 0.41086(13) 0.0420(7) Uani 1 1 d . . . . .
H18 H -0.179694 0.383608 0.391285 0.050 Uiso 1 1 calc R U . . .
C48 C 0.1184(4) 0.7742(2) 0.37762(13) 0.0574(10) Uani 1 1 d . . . . .
H48 H 0.132513 0.829800 0.396102 0.069 Uiso 1 1 calc R U . . .
C28 C 0.7090(3) 0.5929(2) 0.41260(11) 0.0441(8) Uani 1 1 d . . . . .
H28 H 0.784256 0.587884 0.423428 0.053 Uiso 1 1 calc R U . . .
C27 C 0.6677(3) 0.6764(3) 0.39324(11) 0.0535(10) Uani 1 1 d . . . . .
H27 H 0.714355 0.728906 0.391197 0.064 Uiso 1 1 calc R U . . .
C12 C 0.3465(3) 0.0820(3) 0.49932(11) 0.0464(8) Uani 1 1 d . . . . .
H12 H 0.359984 0.052654 0.530259 0.056 Uiso 1 1 calc R U . . .
C13 C 0.2833(3) 0.1611(2) 0.49449(10) 0.0406(7) Uani 1 1 d . . . . .
H13 H 0.251705 0.185797 0.521955 0.049 Uiso 1 1 calc R U . . .
C51 C 0.0409(4) -0.0011(3) 0.45562(16) 0.0733(12) Uani 1 1 d . . . . .
H51 H 0.069050 -0.002637 0.424676 0.088 Uiso 1 1 calc R U . . .
C50 C -0.0022(4) 0.0790(3) 0.47190(15) 0.0665(11) Uani 1 1 d . . . . .
H50 H -0.003398 0.134233 0.452581 0.080 Uiso 1 1 calc R U . . .
C52 C -0.0436(5) 0.0804(3) 0.51569(18) 0.0837(15) Uani 1 1 d . . . . .
H52 H -0.074791 0.136407 0.526774 0.100 Uiso 1 1 calc R U . . .
C1 C 0.3338(2) 0.38199(18) 0.20545(9) 0.0254(5) Uani 1 1 d . . . . .
C2 C 0.1450(2) 0.17213(16) 0.33393(8) 0.0234(5) Uani 1 1 d . . . . .
C3 C 0.1361(2) 0.60638(18) 0.37010(10) 0.0286(5) Uani 1 1 d . . . . .
C6 C 0.0741(2) 0.44356(18) 0.42037(9) 0.0258(5) Uani 1 1 d . . . . .
C5 C 0.5307(2) 0.35574(17) 0.26728(8) 0.0242(5) Uani 1 1 d . . . . .
C4 C 0.5306(2) 0.52195(18) 0.39922(9) 0.0279(5) Uani 1 1 d . . . . .
C8 C 0.5285(2) 0.32712(17) 0.42397(9) 0.0252(5) Uani 1 1 d . . . . .
C53 C 0.3106(2) 0.17025(17) 0.40916(8) 0.0244(5) Uani 1 1 d . . . . .
C56 C 0.3614(2) 0.21167(16) 0.26025(9) 0.0256(5) Uani 1 1 d . . . . .
H56A H 0.288546 0.198794 0.243248 0.031 Uiso 1 1 calc R U . . .
H56B H 0.417196 0.184476 0.240764 0.031 Uiso 1 1 calc R U . . .
C55 C 0.2848(2) 0.52742(18) 0.44557(9) 0.0266(5) Uani 1 1 d . . . . .
H55A H 0.321286 0.587003 0.438509 0.032 Uiso 1 1 calc R U . . .
H55B H 0.242639 0.537471 0.474032 0.032 Uiso 1 1 calc R U . . .
C57 C 0.3704(2) 0.16788(17) 0.31117(9) 0.0246(5) Uani 1 1 d . . . . .
H57A H 0.446446 0.172862 0.326114 0.030 Uiso 1 1 calc R U . . .
H57B H 0.350971 0.100641 0.308671 0.030 Uiso 1 1 calc R U . . .
C54 C 0.3696(2) 0.45149(19) 0.45719(8) 0.0262(5) Uani 1 1 d . . . . .
H54A H 0.334372 0.395034 0.469494 0.031 Uiso 1 1 calc R U . . .
H54B H 0.425190 0.473747 0.482891 0.031 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 P2 2.5180(6) . ?
W1 P3 2.4544(6) . ?
W1 P4 2.5217(6) . ?
W1 P5 2.4310(6) . ?
W1 C7 1.960(3) . ?
W1 C9 1.964(2) . ?
P2 C2 1.839(3) . ?
P2 C53 1.839(2) . ?
P2 C57 1.855(2) . ?
P3 C3 1.850(3) . ?
P3 C6 1.841(3) . ?
P3 C55 1.853(3) . ?
P4 C4 1.852(3) . ?
P4 C8 1.840(3) . ?
P4 C54 1.854(2) . ?
P5 C1 1.845(3) . ?
P5 C5 1.840(3) . ?
P5 C56 1.847(2) . ?
O6 C7 1.165(3) . ?
O8 C9 1.158(3) . ?
C10 H10 0.9500 . ?
C10 C11 1.387(4) . ?
C10 C53 1.397(4) . ?
C15 H15 0.9500 . ?
C15 C16 1.384(4) . ?
C15 C6 1.395(4) . ?
C20 H20 0.9500 . ?
C20 C21 1.387(4) . ?
C20 C2 1.394(4) . ?
C25 H25 0.9500 . ?
C25 C26 1.394(4) . ?
C25 C4 1.399(4) . ?
C30 H30 0.9500 . ?
C30 C31 1.382(4) . ?
C30 C5 1.404(4) . ?
C34 H34 0.9500 . ?
C34 C33 1.396(4) . ?
C34 C5 1.386(4) . ?
C14 H14 0.9500 . ?
C14 C13 1.384(4) . ?
C14 C53 1.386(4) . ?
C35 H35 0.9500 . ?
C35 C36 1.393(4) . ?
C35 C1 1.394(4) . ?
C40 H40 0.9500 . ?
C40 C41 1.387(4) . ?
C40 C8 1.391(4) . ?
C44 H44 0.9500 . ?
C44 C43 1.391(4) . ?
C44 C8 1.397(4) . ?
C36 H36 0.9500 . ?
C36 C37 1.378(4) . ?
C29 H29 0.9500 . ?
C29 C28 1.390(4) . ?
C29 C4 1.392(4) . ?
C45 H45 0.9500 . ?
C45 C46 1.391(4) . ?
C45 C3 1.394(4) . ?
C39 H39 0.9500 . ?
C39 C38 1.392(4) . ?
C39 C1 1.382(4) . ?
C31 H31 0.9500 . ?
C31 C32 1.388(4) . ?
C41 H41 0.9500 . ?
C41 C42 1.387(5) . ?
C19 H19 0.9500 . ?
C19 C18 1.380(4) . ?
C19 C6 1.400(4) . ?
C21 H21 0.9500 . ?
C21 C22 1.383(5) . ?
C46 H46 0.9500 . ?
C46 C47 1.379(5) . ?
C24 H24 0.9500 . ?
C24 C23 1.399(4) . ?
C24 C2 1.385(4) . ?
C33 H33 0.9500 . ?
C33 C32 1.385(4) . ?
C16 H16 0.9500 . ?
C16 C17 1.379(5) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C22 H22 0.9500 . ?
C22 C23 1.379(5) . ?
C37 H37 0.9500 . ?
C37 C38 1.376(5) . ?
C47 H47 0.9500 . ?
C47 C48 1.374(5) . ?
C42 H42 0.9500 . ?
C42 C43 1.377(5) . ?
C43 H43 0.9500 . ?
C17 H17 0.9500 . ?
C17 C18 1.379(5) . ?
C26 H26 0.9500 . ?
C26 C27 1.374(6) . ?
C38 H38 0.9500 . ?
C23 H23 0.9500 . ?
C49 H49 0.9500 . ?
C49 C48 1.394(4) . ?
C49 C3 1.392(4) . ?
C11 H11 0.9500 . ?
C11 C12 1.379(5) . ?
C18 H18 0.9500 . ?
C48 H48 0.9500 . ?
C28 H28 0.9500 . ?
C28 C27 1.382(5) . ?
C27 H27 0.9500 . ?
C12 H12 0.9500 . ?
C12 C13 1.372(5) . ?
C13 H13 0.9500 . ?
C51 H51 0.9500 . ?
C51 C50 1.355(6) . ?
C51 C52 1.379(7) 3_556 ?
C50 H50 0.9500 . ?
C50 C52 1.353(6) . ?
C52 H52 0.9500 . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C56 C57 1.530(3) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C55 C54 1.519(4) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C54 H54A 0.9900 . ?
C54 H54B 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
P2 W1 P4 90.739(19) . . ?
P3 W1 P2 111.004(19) . . ?
P3 W1 P4 78.79(2) . . ?
P5 W1 P2 79.247(19) . . ?
P5 W1 P3 169.63(2) . . ?
P5 W1 P4 103.29(2) . . ?
C7 W1 P2 86.68(7) . . ?
C7 W1 P3 87.88(7) . . ?
C7 W1 P4 164.51(7) . . ?
C7 W1 P5 91.24(7) . . ?
C7 W1 C9 88.47(10) . . ?
C9 W1 P2 160.21(7) . . ?
C9 W1 P3 87.95(7) . . ?
C9 W1 P4 98.80(7) . . ?
C9 W1 P5 81.69(7) . . ?
C2 P2 W1 116.05(8) . . ?
C2 P2 C53 97.63(11) . . ?
C2 P2 C57 103.59(11) . . ?
C53 P2 W1 126.92(8) . . ?
C53 P2 C57 101.59(11) . . ?
C57 P2 W1 108.12(8) . . ?
C3 P3 W1 115.55(8) . . ?
C3 P3 C55 101.55(12) . . ?
C6 P3 W1 121.78(8) . . ?
C6 P3 C3 100.90(12) . . ?
C6 P3 C55 102.60(12) . . ?
C55 P3 W1 111.82(8) . . ?
C4 P4 W1 118.77(9) . . ?
C4 P4 C54 100.23(11) . . ?
C8 P4 W1 123.75(8) . . ?
C8 P4 C4 101.76(12) . . ?
C8 P4 C54 101.27(12) . . ?
C54 P4 W1 107.39(8) . . ?
C1 P5 W1 115.29(8) . . ?
C1 P5 C56 101.81(11) . . ?
C5 P5 W1 120.02(8) . . ?
C5 P5 C1 101.55(11) . . ?
C5 P5 C56 104.85(12) . . ?
C56 P5 W1 111.24(8) . . ?
O6 C7 W1 176.8(2) . . ?
O8 C9 W1 173.9(2) . . ?
C11 C10 H10 120.0 . . ?
C11 C10 C53 120.1(3) . . ?
C53 C10 H10 120.0 . . ?
C16 C15 H15 119.5 . . ?
C16 C15 C6 121.0(3) . . ?
C6 C15 H15 119.5 . . ?
C21 C20 H20 119.4 . . ?
C21 C20 C2 121.1(3) . . ?
C2 C20 H20 119.4 . . ?
C26 C25 H25 120.0 . . ?
C26 C25 C4 119.9(3) . . ?
C4 C25 H25 120.0 . . ?
C31 C30 H30 119.5 . . ?
C31 C30 C5 120.9(2) . . ?
C5 C30 H30 119.5 . . ?
C33 C34 H34 119.5 . . ?
C5 C34 H34 119.5 . . ?
C5 C34 C33 121.0(3) . . ?
C13 C14 H14 119.6 . . ?
C13 C14 C53 120.8(3) . . ?
C53 C14 H14 119.6 . . ?
C36 C35 H35 119.5 . . ?
C36 C35 C1 120.9(3) . . ?
C1 C35 H35 119.5 . . ?
C41 C40 H40 119.5 . . ?
C41 C40 C8 120.9(3) . . ?
C8 C40 H40 119.5 . . ?
C43 C44 H44 119.8 . . ?
C43 C44 C8 120.5(3) . . ?
C8 C44 H44 119.8 . . ?
C35 C36 H36 120.0 . . ?
C37 C36 C35 120.0(3) . . ?
C37 C36 H36 120.0 . . ?
C28 C29 H29 119.7 . . ?
C28 C29 C4 120.6(3) . . ?
C4 C29 H29 119.7 . . ?
C46 C45 H45 119.4 . . ?
C46 C45 C3 121.3(3) . . ?
C3 C45 H45 119.4 . . ?
C38 C39 H39 119.7 . . ?
C1 C39 H39 119.7 . . ?
C1 C39 C38 120.5(3) . . ?
C30 C31 H31 119.8 . . ?
C30 C31 C32 120.3(3) . . ?
C32 C31 H31 119.8 . . ?
C40 C41 H41 120.1 . . ?
C42 C41 C40 119.9(3) . . ?
C42 C41 H41 120.1 . . ?
C18 C19 H19 119.8 . . ?
C18 C19 C6 120.4(3) . . ?
C6 C19 H19 119.8 . . ?
C20 C21 H21 119.9 . . ?
C22 C21 C20 120.1(3) . . ?
C22 C21 H21 119.9 . . ?
C45 C46 H46 120.1 . . ?
C47 C46 C45 119.8(3) . . ?
C47 C46 H46 120.1 . . ?
C23 C24 H24 119.7 . . ?
C2 C24 H24 119.7 . . ?
C2 C24 C23 120.5(3) . . ?
C34 C33 H33 119.9 . . ?
C32 C33 C34 120.2(3) . . ?
C32 C33 H33 119.9 . . ?
C15 C16 H16 119.9 . . ?
C17 C16 C15 120.1(3) . . ?
C17 C16 H16 119.9 . . ?
C31 C32 H32A 107.5 . . ?
C31 C32 H32B 107.5 . . ?
C33 C32 C31 119.4(3) . . ?
C33 C32 H32A 107.5 . . ?
C33 C32 H32B 107.5 . . ?
H32A C32 H32B 107.0 . . ?
C21 C22 H22 120.3 . . ?
C23 C22 C21 119.5(3) . . ?
C23 C22 H22 120.3 . . ?
C36 C37 H37 120.2 . . ?
C38 C37 C36 119.5(3) . . ?
C38 C37 H37 120.2 . . ?
C46 C47 H47 120.1 . . ?
C48 C47 C46 119.7(3) . . ?
C48 C47 H47 120.1 . . ?
C41 C42 H42 120.0 . . ?
C43 C42 C41 119.9(3) . . ?
C43 C42 H42 120.0 . . ?
C44 C43 H43 119.9 . . ?
C42 C43 C44 120.3(3) . . ?
C42 C43 H43 119.9 . . ?
C16 C17 H17 120.2 . . ?
C18 C17 C16 119.5(3) . . ?
C18 C17 H17 120.2 . . ?
C25 C26 H26 119.7 . . ?
C27 C26 C25 120.6(3) . . ?
C27 C26 H26 119.7 . . ?
C39 C38 H38 119.6 . . ?
C37 C38 C39 120.7(3) . . ?
C37 C38 H38 119.6 . . ?
C24 C23 H23 119.8 . . ?
C22 C23 C24 120.5(3) . . ?
C22 C23 H23 119.8 . . ?
C48 C49 H49 119.9 . . ?
C3 C49 H49 119.9 . . ?
C3 C49 C48 120.3(3) . . ?
C10 C11 H11 119.8 . . ?
C12 C11 C10 120.3(3) . . ?
C12 C11 H11 119.8 . . ?
C19 C18 H18 119.6 . . ?
C17 C18 C19 120.9(3) . . ?
C17 C18 H18 119.6 . . ?
C47 C48 C49 120.8(3) . . ?
C47 C48 H48 119.6 . . ?
C49 C48 H48 119.6 . . ?
C29 C28 H28 120.0 . . ?
C27 C28 C29 120.1(3) . . ?
C27 C28 H28 120.0 . . ?
C26 C27 C28 120.0(3) . . ?
C26 C27 H27 120.0 . . ?
C28 C27 H27 120.0 . . ?
C11 C12 H12 120.0 . . ?
C13 C12 C11 120.0(3) . . ?
C13 C12 H12 120.0 . . ?
C14 C13 H13 119.9 . . ?
C12 C13 C14 120.1(3) . . ?
C12 C13 H13 119.9 . . ?
C50 C51 H51 120.2 . . ?
C50 C51 C52 119.5(4) . 3_556 ?
C52 C51 H51 120.2 3_556 . ?
C51 C50 H50 120.0 . . ?
C52 C50 C51 119.9(4) . . ?
C52 C50 H50 120.0 . . ?
C51 C52 H52 119.7 3_556 . ?
C50 C52 C51 120.6(4) . 3_556 ?
C50 C52 H52 119.7 . . ?
C35 C1 P5 118.99(19) . . ?
C39 C1 P5 122.6(2) . . ?
C39 C1 C35 118.3(2) . . ?
C20 C2 P2 117.34(19) . . ?
C24 C2 P2 124.3(2) . . ?
C24 C2 C20 118.3(2) . . ?
C45 C3 P3 119.6(2) . . ?
C49 C3 P3 122.2(2) . . ?
C49 C3 C45 118.0(2) . . ?
C15 C6 P3 122.6(2) . . ?
C15 C6 C19 118.0(2) . . ?
C19 C6 P3 119.1(2) . . ?
C30 C5 P5 117.80(19) . . ?
C34 C5 P5 124.0(2) . . ?
C34 C5 C30 118.1(2) . . ?
C25 C4 P4 118.3(2) . . ?
C29 C4 P4 122.8(2) . . ?
C29 C4 C25 118.9(3) . . ?
C40 C8 P4 118.44(19) . . ?
C40 C8 C44 118.5(2) . . ?
C44 C8 P4 123.1(2) . . ?
C10 C53 P2 122.8(2) . . ?
C14 C53 P2 118.4(2) . . ?
C14 C53 C10 118.6(2) . . ?
P5 C56 H56A 110.0 . . ?
P5 C56 H56B 110.0 . . ?
H56A C56 H56B 108.4 . . ?
C57 C56 P5 108.37(16) . . ?
C57 C56 H56A 110.0 . . ?
C57 C56 H56B 110.0 . . ?
P3 C55 H55A 109.7 . . ?
P3 C55 H55B 109.7 . . ?
H55A C55 H55B 108.2 . . ?
C54 C55 P3 109.61(16) . . ?
C54 C55 H55A 109.7 . . ?
C54 C55 H55B 109.7 . . ?
P2 C57 H57A 109.6 . . ?
P2 C57 H57B 109.7 . . ?
C56 C57 P2 110.05(17) . . ?
C56 C57 H57A 109.7 . . ?
C56 C57 H57B 109.6 . . ?
H57A C57 H57B 108.2 . . ?
P4 C54 H54A 109.7 . . ?
P4 C54 H54B 109.7 . . ?
C55 C54 P4 109.62(17) . . ?
C55 C54 H54A 109.7 . . ?
C55 C54 H54B 109.7 . . ?
H54A C54 H54B 108.2 . . ?

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
W1 P2 C2 C20 -48.3(2) . . . . ?
W1 P2 C2 C24 133.5(2) . . . . ?
W1 P2 C53 C10 -135.4(2) . . . . ?
W1 P2 C53 C14 49.2(2) . . . . ?
W1 P2 C57 C56 -40.57(19) . . . . ?
W1 P3 C3 C45 43.1(3) . . . . ?
W1 P3 C3 C49 -131.9(2) . . . . ?
W1 P3 C6 C15 101.0(2) . . . . ?
W1 P3 C6 C19 -72.7(2) . . . . ?
W1 P3 C55 C54 -34.47(19) . . . . ?
W1 P4 C4 C25 34.7(2) . . . . ?
W1 P4 C4 C29 -144.73(18) . . . . ?
W1 P4 C8 C40 58.8(2) . . . . ?
W1 P4 C8 C44 -120.8(2) . . . . ?
W1 P4 C54 C55 -46.74(18) . . . . ?
W1 P5 C1 C35 -65.5(2) . . . . ?
W1 P5 C1 C39 110.9(2) . . . . ?
W1 P5 C5 C30 -38.8(2) . . . . ?
W1 P5 C5 C34 138.9(2) . . . . ?
W1 P5 C56 C57 -42.47(19) . . . . ?
P3 C55 C54 P4 51.9(2) . . . . ?
P5 C56 C57 P2 52.8(2) . . . . ?
C10 C11 C12 C13 1.4(5) . . . . ?
C15 C16 C17 C18 -0.6(5) . . . . ?
C20 C21 C22 C23 1.1(5) . . . . ?
C25 C26 C27 C28 -0.8(5) . . . . ?
C30 C31 C32 C33 0.8(5) . . . . ?
C34 C33 C32 C31 0.3(5) . . . . ?
C35 C36 C37 C38 0.6(4) . . . . ?
C40 C41 C42 C43 -0.7(4) . . . . ?
C36 C35 C1 P5 175.8(2) . . . . ?
C36 C35 C1 C39 -0.7(4) . . . . ?
C36 C37 C38 C39 -0.3(5) . . . . ?
C29 C28 C27 C26 -0.9(5) . . . . ?
C45 C46 C47 C48 -1.9(5) . . . . ?
C31 C30 C5 P5 177.8(2) . . . . ?
C31 C30 C5 C34 -0.1(4) . . . . ?
C41 C40 C8 P4 -179.7(2) . . . . ?
C41 C40 C8 C44 0.0(4) . . . . ?
C41 C42 C43 C44 0.1(5) . . . . ?
C21 C20 C2 P2 -178.7(2) . . . . ?
C21 C20 C2 C24 -0.4(4) . . . . ?
C21 C22 C23 C24 -1.0(5) . . . . ?
C46 C45 C3 P3 -176.9(2) . . . . ?
C46 C45 C3 C49 -1.7(4) . . . . ?
C46 C47 C48 C49 -0.7(6) . . . . ?
C33 C34 C5 P5 -176.5(2) . . . . ?
C33 C34 C5 C30 1.2(4) . . . . ?
C16 C15 C6 P3 -173.5(2) . . . . ?
C16 C15 C6 C19 0.2(4) . . . . ?
C16 C17 C18 C19 0.1(5) . . . . ?
C43 C44 C8 P4 179.1(2) . . . . ?
C43 C44 C8 C40 -0.6(4) . . . . ?
C26 C25 C4 P4 -180.0(2) . . . . ?
C26 C25 C4 C29 -0.5(4) . . . . ?
C38 C39 C1 P5 -175.4(2) . . . . ?
C38 C39 C1 C35 1.0(4) . . . . ?
C23 C24 C2 P2 178.7(2) . . . . ?
C23 C24 C2 C20 0.5(4) . . . . ?
C11 C10 C53 P2 -176.6(2) . . . . ?
C11 C10 C53 C14 -1.2(4) . . . . ?
C11 C12 C13 C14 -1.3(5) . . . . ?
C18 C19 C6 P3 173.3(2) . . . . ?
C18 C19 C6 C15 -0.6(4) . . . . ?
C48 C49 C3 P3 174.1(3) . . . . ?
C48 C49 C3 C45 -0.9(5) . . . . ?
C28 C29 C4 P4 178.3(2) . . . . ?
C28 C29 C4 C25 -1.1(4) . . . . ?
C13 C14 C53 P2 176.9(2) . . . . ?
C13 C14 C53 C10 1.3(4) . . . . ?
C51 C50 C52 C51 1.0(10) . . . 3_556 ?
C52 C51 C50 C52 -1.0(9) 3_556 . . . ?
C1 P5 C5 C30 89.6(2) . . . . ?
C1 P5 C5 C34 -92.6(2) . . . . ?
C1 P5 C56 C57 -165.80(17) . . . . ?
C1 C35 C36 C37 0.0(4) . . . . ?
C1 C39 C38 C37 -0.5(5) . . . . ?
C2 P2 C53 C10 93.7(2) . . . . ?
C2 P2 C53 C14 -81.7(2) . . . . ?
C2 P2 C57 C56 83.11(18) . . . . ?
C2 C20 C21 C22 -0.4(4) . . . . ?
C2 C24 C23 C22 0.2(4) . . . . ?
C3 P3 C6 C15 -129.5(2) . . . . ?
C3 P3 C6 C19 56.8(2) . . . . ?
C3 P3 C55 C54 -158.25(17) . . . . ?
C3 C45 C46 C47 3.1(5) . . . . ?
C3 C49 C48 C47 2.1(6) . . . . ?
C6 P3 C3 C45 -90.3(2) . . . . ?
C6 P3 C3 C49 94.7(3) . . . . ?
C6 P3 C55 C54 97.65(18) . . . . ?
C6 C15 C16 C17 0.4(4) . . . . ?
C6 C19 C18 C17 0.5(5) . . . . ?
C5 P5 C1 C35 163.1(2) . . . . ?
C5 P5 C1 C39 -20.5(2) . . . . ?
C5 P5 C56 C57 88.71(18) . . . . ?
C5 C30 C31 C32 -0.9(4) . . . . ?
C5 C34 C33 C32 -1.3(5) . . . . ?
C4 P4 C8 C40 -78.1(2) . . . . ?
C4 P4 C8 C44 102.2(2) . . . . ?
C4 P4 C54 C55 77.95(19) . . . . ?
C4 C25 C26 C27 1.5(5) . . . . ?
C4 C29 C28 C27 1.8(4) . . . . ?
C8 P4 C4 C25 174.3(2) . . . . ?
C8 P4 C4 C29 -5.1(2) . . . . ?
C8 P4 C54 C55 -177.75(17) . . . . ?
C8 C40 C41 C42 0.7(4) . . . . ?
C8 C44 C43 C42 0.6(4) . . . . ?
C53 P2 C2 C20 89.4(2) . . . . ?
C53 P2 C2 C24 -88.8(2) . . . . ?
C53 P2 C57 C56 -176.00(17) . . . . ?
C53 C10 C11 C12 -0.1(5) . . . . ?
C53 C14 C13 C12 0.0(5) . . . . ?
C56 P5 C1 C35 55.0(2) . . . . ?
C56 P5 C1 C39 -128.6(2) . . . . ?
C56 P5 C5 C30 -164.70(19) . . . . ?
C56 P5 C5 C34 13.0(3) . . . . ?
C55 P3 C3 C45 164.3(2) . . . . ?
C55 P3 C3 C49 -10.7(3) . . . . ?
C55 P3 C6 C15 -24.9(2) . . . . ?
C55 P3 C6 C19 161.4(2) . . . . ?
C57 P2 C2 C20 -166.61(19) . . . . ?
C57 P2 C2 C24 15.2(2) . . . . ?
C57 P2 C53 C10 -11.9(3) . . . . ?
C57 P2 C53 C14 172.6(2) . . . . ?
C54 P4 C4 C25 -81.8(2) . . . . ?
C54 P4 C4 C29 98.8(2) . . . . ?
C54 P4 C8 C40 178.8(2) . . . . ?
C54 P4 C8 C44 -0.9(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.835
_oxdiff_exptl_absorpt_empirical_full_min 0.704
