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

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
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# 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 
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data_fea110_1_a
_database_code_depnum_ccdc_archive 'CCDC 2142053'
loop_
_audit_author_name
_audit_author_address
'Louis Ricard'
;CNRS
France
;
_audit_update_record             
;
2022-12-16 deposited with the CCDC.	2023-05-10 downloaded from the CCDC.
;
_audit_creation_date             2021-02-18
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6257)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C58 H61 O4 P, C H Cl3'
_chemical_formula_sum            'C59 H62 Cl3 O4 P'
_chemical_formula_weight         972.40
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
P P 0.1023 0.0942 '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      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, z'
'x, -y-1/2, z-1/2'

_cell_length_a                   16.8473(19)
_cell_length_b                   16.4750(19)
_cell_length_c                   37.556(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     10424(2)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    6548
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      23.2988
_cell_measurement_theta_min      2.8054
_shelx_estimated_absorpt_T_max   0.996
_shelx_estimated_absorpt_T_min   0.992
_exptl_absorpt_coefficient_mu    0.253
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.6367
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014) was used for absorption correction.
wR2(int) was 0.0756 before and 0.0614 after correction.
The Ratio of minimum to maximum transmission is 0.8537.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.239
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             4112
_exptl_crystal_size_max          0.03
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.015
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0616
_diffrn_reflns_av_unetI/netI     0.0541
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       45
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_number            40548
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.240
_diffrn_reflns_theta_max         25.680
_diffrn_reflns_theta_min         1.624
_diffrn_ambient_temperature      150.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Kappa APEX II'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_source                   tube
_diffrn_source_current           31.0
_diffrn_source_power             1.705
_diffrn_source_voltage           55.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7373
_reflns_number_total             9873
_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       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.106
_refine_diff_density_min         -1.391
_refine_diff_density_rms         0.113
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     628
_refine_ls_number_reflns         9873
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.1228
_refine_ls_R_factor_gt           0.0967
_refine_ls_restrained_S_all      1.076
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1529P)²+36.7837P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2774
_refine_ls_wR_factor_ref         0.2991
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
C45 \\sim C45A: within 2A with sigma of 0.004 and sigma for terminal atoms of
0.008 within 2A
C46 \\sim C46A: within 2A with sigma of 0.004 and sigma for terminal atoms of
0.008 within 2A
3. Others
 Sof(H44C)=Sof(H44D)=Sof(C45A)=Sof(H45C)=Sof(H45D)=Sof(C46A)=Sof(H46D)=
 Sof(H46E)=Sof(H46F)=1-FVAR(1)
 Sof(H44A)=Sof(H44B)=Sof(C45)=Sof(H45A)=Sof(H45B)=Sof(C46)=Sof(H46A)=Sof(H46B)=
 Sof(H46C)=FVAR(1)
4.a Ternary CH refined with riding coordinates:
 C50(H50)
4.b Secondary CH2 refined with riding coordinates:
 C13(H13A,H13B), C20(H20A,H20B), C27(H27A,H27B), C34(H34A,H34B), C35(H35A,
 H35B), C36(H36A,H36B), C38(H38A,H38B), C39(H39A,H39B), C41(H41A,H41B),
 C42(H42A,H42B), C44(H44A,H44B), C44(H44C,H44D), C45(H45A,H45B), C45A(H45C,H45D)
4.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C8(H8), C12(H12), C15(H15), C16(H16),
 C17(H17), C22(H22), C23(H23), C24(H24), C29(H29), C30(H30), C31(H31), C48(H48),
  C49(H49), C51(H51), C52(H52), C54(H54), C55(H55), C56(H56), C57(H57),
 C58(H58), C999(H999)
4.d Idealised Me refined as rotating group:
 C37(H37A,H37B,H37C), C40(H40A,H40B,H40C), C43(H43A,H43B,H43C), C46(H46A,H46B,
 H46C), C46A(H46D,H46E,H46F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
P1 P 0.77921(7) 0.26492(7) 0.17084(3) 0.0236(3) Uani 1 1 d . . . . .
O1 O 0.40682(18) 0.07856(18) 0.08594(8) 0.0234(7) Uani 1 1 d . . . . .
O2 O 0.24545(17) 0.13807(18) 0.13024(8) 0.0220(7) Uani 1 1 d . . . . .
O3 O 0.38890(17) 0.27140(17) 0.10600(8) 0.0212(7) Uani 1 1 d . . . . .
O4 O 0.52807(19) 0.2166(2) 0.04703(8) 0.0308(8) Uani 1 1 d . . . . .
C1 C 0.7241(2) 0.1901(2) 0.19756(11) 0.0189(9) Uani 1 1 d . . . . .
C2 C 0.7468(3) 0.1718(3) 0.23245(12) 0.0234(9) Uani 1 1 d . . . . .
H2 H 0.788675 0.201835 0.243137 0.028 Uiso 1 1 calc R U . . .
C3 C 0.7099(3) 0.1108(3) 0.25190(13) 0.0271(10) Uani 1 1 d . . . . .
H3 H 0.726281 0.099471 0.275592 0.033 Uiso 1 1 calc R U . . .
C4 C 0.6491(3) 0.0668(3) 0.23644(12) 0.0258(10) Uani 1 1 d . . . . .
H4 H 0.623695 0.024685 0.249419 0.031 Uiso 1 1 calc R U . . .
C5 C 0.6252(2) 0.0844(3) 0.20190(12) 0.0221(9) Uani 1 1 d . . . . .
H5 H 0.583755 0.053392 0.191432 0.027 Uiso 1 1 calc R U . . .
C6 C 0.6605(2) 0.1464(3) 0.18221(11) 0.0190(9) Uani 1 1 d . . . . .
C7 C 0.6277(2) 0.1651(3) 0.14624(11) 0.0188(9) Uani 1 1 d . . . . .
C8 C 0.6034(2) 0.2437(3) 0.13761(12) 0.0200(9) Uani 1 1 d . . . . .
H8 H 0.609822 0.285905 0.154616 0.024 Uiso 1 1 calc R U . . .
C9 C 0.5701(2) 0.2616(3) 0.10483(12) 0.0212(9) Uani 1 1 d . . . . .
C10 C 0.5607(2) 0.1988(3) 0.08006(11) 0.0224(9) Uani 1 1 d . . . . .
C11 C 0.5808(2) 0.1187(3) 0.08852(12) 0.0226(9) Uani 1 1 d . . . . .
C12 C 0.6142(2) 0.1040(3) 0.12176(12) 0.0221(9) Uani 1 1 d . . . . .
H12 H 0.628309 0.049897 0.127866 0.027 Uiso 1 1 calc R U . . .
C13 C 0.5611(3) 0.0487(3) 0.06356(13) 0.0295(11) Uani 1 1 d . . . . .
H13A H 0.530174 0.069293 0.043049 0.035 Uiso 1 1 calc R U . . .
H13B H 0.610849 0.024583 0.054333 0.035 Uiso 1 1 calc R U . . .
C14 C 0.5139(3) -0.0151(3) 0.08279(13) 0.0281(11) Uani 1 1 d . . . . .
C15 C 0.5447(3) -0.0902(3) 0.09204(15) 0.0366(12) Uani 1 1 d . . . . .
H15 H 0.596076 -0.104859 0.083837 0.044 Uiso 1 1 calc R U . . .
C16 C 0.5024(3) -0.1446(3) 0.11303(16) 0.0420(14) Uani 1 1 d . . . . .
H16 H 0.523707 -0.196736 0.118122 0.050 Uiso 1 1 calc R U . . .
C17 C 0.4290(3) -0.1225(3) 0.12644(15) 0.0354(12) Uani 1 1 d . . . . .
H17 H 0.401116 -0.158709 0.141640 0.042 Uiso 1 1 calc R U . . .
C18 C 0.3957(3) -0.0479(3) 0.11794(13) 0.0259(10) Uani 1 1 d . . . . .
C19 C 0.4365(3) 0.0034(3) 0.09468(12) 0.0240(10) Uani 1 1 d . . . . .
C20 C 0.3214(3) -0.0180(3) 0.13671(13) 0.0268(10) Uani 1 1 d . . . . .
H20A H 0.298838 -0.062292 0.151358 0.032 Uiso 1 1 calc R U . . .
H20B H 0.281181 -0.002044 0.118798 0.032 Uiso 1 1 calc R U . . .
C21 C 0.3406(2) 0.0545(3) 0.16042(12) 0.0211(9) Uani 1 1 d . . . . .
C22 C 0.3991(3) 0.0472(3) 0.18653(12) 0.0243(10) Uani 1 1 d . . . . .
H22 H 0.423918 -0.003847 0.190385 0.029 Uiso 1 1 calc R U . . .
C23 C 0.4214(3) 0.1134(3) 0.20686(12) 0.0257(10) Uani 1 1 d . . . . .
H23 H 0.460191 0.107361 0.225020 0.031 Uiso 1 1 calc R U . . .
C24 C 0.3873(3) 0.1880(3) 0.20079(12) 0.0228(9) Uani 1 1 d . . . . .
H24 H 0.404112 0.233545 0.214369 0.027 Uiso 1 1 calc R U . . .
C25 C 0.3284(2) 0.1979(3) 0.17493(12) 0.0207(9) Uani 1 1 d . . . . .
C26 C 0.3047(2) 0.1299(3) 0.15560(11) 0.0205(9) Uani 1 1 d . . . . .
C27 C 0.2948(3) 0.2817(3) 0.16758(13) 0.0236(10) Uani 1 1 d . . . . .
H27A H 0.258843 0.279375 0.146762 0.028 Uiso 1 1 calc R U . . .
H27B H 0.263698 0.300377 0.188397 0.028 Uiso 1 1 calc R U . . .
C28 C 0.3615(3) 0.3409(2) 0.16028(13) 0.0228(9) Uani 1 1 d . . . . .
C29 C 0.3820(3) 0.4013(3) 0.18452(14) 0.0299(11) Uani 1 1 d . . . . .
H29 H 0.349188 0.410570 0.204687 0.036 Uiso 1 1 calc R U . . .
C30 C 0.4495(3) 0.4482(3) 0.17970(14) 0.0320(11) Uani 1 1 d . . . . .
H30 H 0.461780 0.490459 0.195995 0.038 Uiso 1 1 calc R U . . .
C31 C 0.4992(3) 0.4329(3) 0.15086(14) 0.0290(11) Uani 1 1 d . . . . .
H31 H 0.546065 0.464222 0.147931 0.035 Uiso 1 1 calc R U . . .
C32 C 0.4813(3) 0.3723(3) 0.12621(12) 0.0234(10) Uani 1 1 d . . . . .
C33 C 0.4093(3) 0.3304(2) 0.13045(12) 0.0205(9) Uani 1 1 d . . . . .
C34 C 0.5400(3) 0.3469(3) 0.09786(13) 0.0255(10) Uani 1 1 d . . . . .
H34A H 0.585258 0.385165 0.097626 0.031 Uiso 1 1 calc R U . . .
H34B H 0.514051 0.348937 0.074219 0.031 Uiso 1 1 calc R U . . .
C35 C 0.3409(3) 0.0790(3) 0.06182(12) 0.0280(10) Uani 1 1 d . . . . .
H35A H 0.306576 0.126108 0.067326 0.034 Uiso 1 1 calc R U . . .
H35B H 0.309177 0.029150 0.065557 0.034 Uiso 1 1 calc R U . . .
C36 C 0.3656(3) 0.0833(3) 0.02332(13) 0.0334(11) Uani 1 1 d . . . . .
H36A H 0.393837 0.032916 0.016617 0.040 Uiso 1 1 calc R U . . .
H36B H 0.402234 0.129609 0.019798 0.040 Uiso 1 1 calc R U . . .
C37 C 0.2926(4) 0.0940(4) -0.00021(15) 0.0475(15) Uani 1 1 d . . . . .
H37A H 0.258283 0.046212 0.002027 0.071 Uiso 1 1 calc R U . . .
H37B H 0.309220 0.100127 -0.025071 0.071 Uiso 1 1 calc R U . . .
H37C H 0.263302 0.142472 0.007278 0.071 Uiso 1 1 calc R U . . .
C38 C 0.1679(3) 0.1270(3) 0.14505(14) 0.0309(11) Uani 1 1 d . . . . .
H38A H 0.157246 0.169724 0.162982 0.037 Uiso 1 1 calc R U . . .
H38B H 0.164644 0.073585 0.157002 0.037 Uiso 1 1 calc R U . . .
C39 C 0.1074(3) 0.1316(3) 0.11583(16) 0.0375(12) Uani 1 1 d . . . . .
H39A H 0.112202 0.184879 0.103801 0.045 Uiso 1 1 calc R U . . .
H39B H 0.053737 0.128437 0.126427 0.045 Uiso 1 1 calc R U . . .
C40 C 0.1161(3) 0.0650(4) 0.08833(15) 0.0418(13) Uani 1 1 d . . . . .
H40A H 0.164431 0.074122 0.074380 0.063 Uiso 1 1 calc R U . . .
H40B H 0.069921 0.065397 0.072466 0.063 Uiso 1 1 calc R U . . .
H40C H 0.119536 0.012322 0.100364 0.063 Uiso 1 1 calc R U . . .
C41 C 0.3589(3) 0.3022(3) 0.07312(12) 0.0266(10) Uani 1 1 d . . . . .
H41A H 0.367567 0.261222 0.054236 0.032 Uiso 1 1 calc R U . . .
H41B H 0.389168 0.351495 0.066549 0.032 Uiso 1 1 calc R U . . .
C42 C 0.2713(3) 0.3231(3) 0.07463(14) 0.0328(11) Uani 1 1 d . . . . .
H42A H 0.240409 0.273650 0.080406 0.039 Uiso 1 1 calc R U . . .
H42B H 0.261972 0.363371 0.093734 0.039 Uiso 1 1 calc R U . . .
C43 C 0.2431(4) 0.3573(4) 0.03949(17) 0.0512(16) Uani 1 1 d . . . . .
H43A H 0.276917 0.403110 0.032671 0.077 Uiso 1 1 calc R U . . .
H43B H 0.188098 0.375793 0.041874 0.077 Uiso 1 1 calc R U . . .
H43C H 0.246086 0.315064 0.021151 0.077 Uiso 1 1 calc R U . . .
C44 C 0.5869(3) 0.2335(5) 0.02063(14) 0.0488(16) Uani 1 1 d . . . . .
H44A H 0.617535 0.183634 0.015364 0.059 Uiso 0.66(2) 1 calc R U P A 1
H44B H 0.624252 0.275095 0.029685 0.059 Uiso 0.66(2) 1 calc R U P A 1
H44C H 0.630552 0.193345 0.021913 0.059 Uiso 0.34(2) 1 calc R U P A 2
H44D H 0.609424 0.288436 0.024186 0.059 Uiso 0.34(2) 1 calc R U P A 2
C45 C 0.5471(17) 0.2641(13) -0.0132(7) 0.067(7) Uani 0.66(2) 1 d . U P A 1
H45A H 0.509017 0.222625 -0.021669 0.081 Uiso 0.66(2) 1 calc R U P A 1
H45B H 0.587879 0.271503 -0.031867 0.081 Uiso 0.66(2) 1 calc R U P A 1
C46 C 0.5027(9) 0.3451(12) -0.0075(4) 0.075(5) Uani 0.66(2) 1 d . U P A 1
H46A H 0.461391 0.337805 0.010590 0.113 Uiso 0.66(2) 1 calc R U P A 1
H46B H 0.478298 0.362241 -0.029948 0.113 Uiso 0.66(2) 1 calc R U P A 1
H46C H 0.540328 0.386690 0.000490 0.113 Uiso 0.66(2) 1 calc R U P A 1
C45A C 0.545(4) 0.228(3) -0.0150(14) 0.067(7) Uani 0.34(2) 1 d . U P A 2
H45C H 0.584701 0.229847 -0.034403 0.080 Uiso 0.34(2) 1 calc R U P A 2
H45D H 0.516343 0.175786 -0.016628 0.080 Uiso 0.34(2) 1 calc R U P A 2
C46A C 0.4881(19) 0.295(2) -0.0197(8) 0.074(5) Uani 0.34(2) 1 d . U P A 2
H46D H 0.477792 0.303334 -0.045161 0.112 Uiso 0.34(2) 1 calc R U P A 2
H46E H 0.510358 0.345124 -0.009577 0.112 Uiso 0.34(2) 1 calc R U P A 2
H46F H 0.438275 0.282029 -0.007556 0.112 Uiso 0.34(2) 1 calc R U P A 2
C47 C 0.7327(3) 0.3607(3) 0.18602(14) 0.0289(11) Uani 1 1 d . . . . .
C48 C 0.6986(3) 0.3692(3) 0.21942(16) 0.0382(13) Uani 1 1 d . . . . .
H48 H 0.699824 0.324842 0.235595 0.046 Uiso 1 1 calc R U . . .
C49 C 0.6626(3) 0.4415(3) 0.22965(18) 0.0449(15) Uani 1 1 d . . . . .
H49 H 0.638622 0.446397 0.252435 0.054 Uiso 1 1 calc R U . . .
C51 C 0.6964(3) 0.4989(3) 0.17352(19) 0.0447(16) Uani 1 1 d . . . . .
H51 H 0.696247 0.543840 0.157696 0.054 Uiso 1 1 calc R U . . .
C52 C 0.7314(3) 0.4263(3) 0.16320(16) 0.0363(12) Uani 1 1 d . . . . .
H52 H 0.754642 0.421826 0.140245 0.044 Uiso 1 1 calc R U . . .
C53 C 0.8749(3) 0.2694(3) 0.19399(12) 0.0247(10) Uani 1 1 d . . . . .
C54 C 0.9271(3) 0.2040(3) 0.18990(13) 0.0291(11) Uani 1 1 d . . . . .
H54 H 0.911318 0.158893 0.175845 0.035 Uiso 1 1 calc R U . . .
C55 C 1.0012(3) 0.2036(3) 0.20585(14) 0.0354(12) Uani 1 1 d . . . . .
H55 H 1.035106 0.157976 0.203164 0.042 Uiso 1 1 calc R U . . .
C56 C 1.0256(3) 0.2696(4) 0.22567(15) 0.0394(13) Uani 1 1 d . . . . .
H56 H 1.075979 0.269211 0.237025 0.047 Uiso 1 1 calc R U . . .
C57 C 0.9768(3) 0.3353(4) 0.22881(16) 0.0424(14) Uani 1 1 d . . . . .
H57 H 0.994514 0.381524 0.241664 0.051 Uiso 1 1 calc R U . . .
C58 C 0.9020(3) 0.3357(3) 0.21358(14) 0.0326(11) Uani 1 1 d . . . . .
H58 H 0.868655 0.381742 0.216521 0.039 Uiso 1 1 calc R U . . .
C999 C 0.6623(3) 0.5057(3) 0.2063(2) 0.0479(16) Uani 1 1 d . . . . .
H999 H 0.638086 0.555472 0.213062 0.058 Uiso 1 1 calc R U . . .
Cl1 Cl 0.77768(13) 0.06797(16) 0.05685(7) 0.0917(8) Uani 1 1 d . . . . .
Cl2 Cl 0.89943(12) 0.13528(15) 0.10083(5) 0.0744(6) Uani 1 1 d . . . . .
Cl3 Cl 0.80400(16) 0.23985(17) 0.05703(7) 0.0959(8) Uani 1 1 d . . . . .
C50 C 0.8053(4) 0.1498(5) 0.0826(2) 0.0622(19) Uani 1 1 d . . . . .
H50 H 0.766287 0.155587 0.102486 0.075 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
P1 C1 1.841(4) . ?
P1 C47 1.852(5) . ?
P1 C53 1.833(5) . ?
O1 C19 1.374(5) . ?
O1 C35 1.433(6) . ?
O2 C26 1.387(5) . ?
O2 C38 1.432(5) . ?
O3 C33 1.381(5) . ?
O3 C41 1.428(6) . ?
O4 C10 1.388(5) . ?
O4 C44 1.430(6) . ?
C1 C2 1.398(6) . ?
C1 C6 1.414(6) . ?
C2 H2 0.9500 . ?
C2 C3 1.389(7) . ?
C3 H3 0.9500 . ?
C3 C4 1.383(7) . ?
C4 H4 0.9500 . ?
C4 C5 1.389(6) . ?
C5 H5 0.9500 . ?
C5 C6 1.395(6) . ?
C6 C7 1.492(6) . ?
C7 C8 1.397(6) . ?
C7 C12 1.382(6) . ?
C8 H8 0.9500 . ?
C8 C9 1.384(6) . ?
C9 C10 1.400(6) . ?
C9 C34 1.517(6) . ?
C10 C11 1.400(7) . ?
C11 C12 1.390(6) . ?
C11 C13 1.522(6) . ?
C12 H12 0.9500 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.504(7) . ?
C14 C15 1.385(7) . ?
C14 C19 1.413(6) . ?
C15 H15 0.9500 . ?
C15 C16 1.391(8) . ?
C16 H16 0.9500 . ?
C16 C17 1.384(8) . ?
C17 H17 0.9500 . ?
C17 C18 1.388(7) . ?
C18 C19 1.397(7) . ?
C18 C20 1.518(7) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C21 1.524(6) . ?
C21 C22 1.396(6) . ?
C21 C26 1.393(6) . ?
C22 H22 0.9500 . ?
C22 C23 1.384(7) . ?
C23 H23 0.9500 . ?
C23 C24 1.376(7) . ?
C24 H24 0.9500 . ?
C24 C25 1.398(6) . ?
C25 C26 1.393(6) . ?
C25 C27 1.517(6) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C27 C28 1.512(6) . ?
C28 C29 1.393(6) . ?
C28 C33 1.391(7) . ?
C29 H29 0.9500 . ?
C29 C30 1.386(7) . ?
C30 H30 0.9500 . ?
C30 C31 1.392(7) . ?
C31 H31 0.9500 . ?
C31 C32 1.394(7) . ?
C32 C33 1.404(6) . ?
C32 C34 1.512(7) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C35 C36 1.506(7) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C36 C37 1.525(8) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C38 C39 1.499(7) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C39 C40 1.514(8) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C41 C42 1.517(7) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C42 C43 1.511(8) . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C44 H44C 0.9900 . ?
C44 H44D 0.9900 . ?
C44 C45 1.52(3) . ?
C44 C45A 1.52(6) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C45 C46 1.55(3) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C45A H45C 0.9900 . ?
C45A H45D 0.9900 . ?
C45A C46A 1.47(6) . ?
C46A H46D 0.9800 . ?
C46A H46E 0.9800 . ?
C46A H46F 0.9800 . ?
C47 C48 1.387(8) . ?
C47 C52 1.380(7) . ?
C48 H48 0.9500 . ?
C48 C49 1.391(7) . ?
C49 H49 0.9500 . ?
C49 C999 1.375(9) . ?
C51 H51 0.9500 . ?
C51 C52 1.387(8) . ?
C51 C999 1.363(9) . ?
C52 H52 0.9500 . ?
C53 C54 1.398(7) . ?
C53 C58 1.394(7) . ?
C54 H54 0.9500 . ?
C54 C55 1.384(7) . ?
C55 H55 0.9500 . ?
C55 C56 1.380(8) . ?
C56 H56 0.9500 . ?
C56 C57 1.364(8) . ?
C57 H57 0.9500 . ?
C57 C58 1.385(7) . ?
C58 H58 0.9500 . ?
C999 H999 0.9500 . ?
Cl1 C50 1.722(8) . ?
Cl2 C50 1.744(8) . ?
Cl3 C50 1.768(8) . ?
C50 H50 1.0000 . ?

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 C47 100.9(2) . . ?
C53 P1 C1 102.2(2) . . ?
C53 P1 C47 101.1(2) . . ?
C19 O1 C35 115.9(3) . . ?
C26 O2 C38 112.2(3) . . ?
C33 O3 C41 114.4(3) . . ?
C10 O4 C44 112.7(4) . . ?
C2 C1 P1 121.1(3) . . ?
C2 C1 C6 118.7(4) . . ?
C6 C1 P1 120.1(3) . . ?
C1 C2 H2 119.1 . . ?
C3 C2 C1 121.7(4) . . ?
C3 C2 H2 119.1 . . ?
C2 C3 H3 120.3 . . ?
C4 C3 C2 119.3(4) . . ?
C4 C3 H3 120.3 . . ?
C3 C4 H4 120.1 . . ?
C3 C4 C5 119.9(4) . . ?
C5 C4 H4 120.1 . . ?
C4 C5 H5 119.2 . . ?
C4 C5 C6 121.6(4) . . ?
C6 C5 H5 119.2 . . ?
C1 C6 C7 123.0(4) . . ?
C5 C6 C1 118.7(4) . . ?
C5 C6 C7 118.2(4) . . ?
C8 C7 C6 120.7(4) . . ?
C12 C7 C6 120.9(4) . . ?
C12 C7 C8 118.2(4) . . ?
C7 C8 H8 119.3 . . ?
C9 C8 C7 121.5(4) . . ?
C9 C8 H8 119.3 . . ?
C8 C9 C10 118.7(4) . . ?
C8 C9 C34 119.1(4) . . ?
C10 C9 C34 122.1(4) . . ?
O4 C10 C9 118.9(4) . . ?
O4 C10 C11 119.8(4) . . ?
C9 C10 C11 121.2(4) . . ?
C10 C11 C13 121.4(4) . . ?
C12 C11 C10 117.8(4) . . ?
C12 C11 C13 120.6(4) . . ?
C7 C12 C11 122.5(4) . . ?
C7 C12 H12 118.8 . . ?
C11 C12 H12 118.8 . . ?
C11 C13 H13A 109.6 . . ?
C11 C13 H13B 109.6 . . ?
H13A C13 H13B 108.1 . . ?
C14 C13 C11 110.4(4) . . ?
C14 C13 H13A 109.6 . . ?
C14 C13 H13B 109.6 . . ?
C15 C14 C13 123.2(4) . . ?
C15 C14 C19 117.4(5) . . ?
C19 C14 C13 119.3(4) . . ?
C14 C15 H15 119.1 . . ?
C14 C15 C16 121.7(5) . . ?
C16 C15 H15 119.1 . . ?
C15 C16 H16 120.2 . . ?
C17 C16 C15 119.6(5) . . ?
C17 C16 H16 120.2 . . ?
C16 C17 H17 119.6 . . ?
C16 C17 C18 120.7(5) . . ?
C18 C17 H17 119.6 . . ?
C17 C18 C19 118.7(5) . . ?
C17 C18 C20 120.9(5) . . ?
C19 C18 C20 119.9(4) . . ?
O1 C19 C14 117.1(4) . . ?
O1 C19 C18 121.1(4) . . ?
C18 C19 C14 121.4(4) . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
C18 C20 C21 110.5(4) . . ?
H20A C20 H20B 108.1 . . ?
C21 C20 H20A 109.5 . . ?
C21 C20 H20B 109.5 . . ?
C22 C21 C20 119.5(4) . . ?
C26 C21 C20 122.0(4) . . ?
C26 C21 C22 118.3(4) . . ?
C21 C22 H22 119.6 . . ?
C23 C22 C21 120.7(4) . . ?
C23 C22 H22 119.6 . . ?
C22 C23 H23 120.0 . . ?
C24 C23 C22 120.0(4) . . ?
C24 C23 H23 120.0 . . ?
C23 C24 H24 119.5 . . ?
C23 C24 C25 121.0(4) . . ?
C25 C24 H24 119.5 . . ?
C24 C25 C27 119.8(4) . . ?
C26 C25 C24 118.1(4) . . ?
C26 C25 C27 122.0(4) . . ?
O2 C26 C21 119.2(4) . . ?
O2 C26 C25 119.1(4) . . ?
C21 C26 C25 121.7(4) . . ?
C25 C27 H27A 109.7 . . ?
C25 C27 H27B 109.7 . . ?
H27A C27 H27B 108.2 . . ?
C28 C27 C25 110.0(3) . . ?
C28 C27 H27A 109.7 . . ?
C28 C27 H27B 109.7 . . ?
C29 C28 C27 121.8(4) . . ?
C33 C28 C27 119.8(4) . . ?
C33 C28 C29 118.1(4) . . ?
C28 C29 H29 119.5 . . ?
C30 C29 C28 121.1(5) . . ?
C30 C29 H29 119.5 . . ?
C29 C30 H30 120.2 . . ?
C29 C30 C31 119.6(4) . . ?
C31 C30 H30 120.2 . . ?
C30 C31 H31 119.5 . . ?
C30 C31 C32 121.1(4) . . ?
C32 C31 H31 119.5 . . ?
C31 C32 C33 117.6(4) . . ?
C31 C32 C34 121.6(4) . . ?
C33 C32 C34 120.5(4) . . ?
O3 C33 C28 118.6(4) . . ?
O3 C33 C32 119.1(4) . . ?
C28 C33 C32 122.0(4) . . ?
C9 C34 H34A 109.5 . . ?
C9 C34 H34B 109.5 . . ?
C32 C34 C9 110.7(4) . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
H34A C34 H34B 108.1 . . ?
O1 C35 H35A 108.9 . . ?
O1 C35 H35B 108.9 . . ?
O1 C35 C36 113.2(4) . . ?
H35A C35 H35B 107.8 . . ?
C36 C35 H35A 108.9 . . ?
C36 C35 H35B 108.9 . . ?
C35 C36 H36A 109.7 . . ?
C35 C36 H36B 109.7 . . ?
C35 C36 C37 109.8(4) . . ?
H36A C36 H36B 108.2 . . ?
C37 C36 H36A 109.7 . . ?
C37 C36 H36B 109.7 . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
O2 C38 H38A 109.8 . . ?
O2 C38 H38B 109.8 . . ?
O2 C38 C39 109.2(4) . . ?
H38A C38 H38B 108.3 . . ?
C39 C38 H38A 109.8 . . ?
C39 C38 H38B 109.8 . . ?
C38 C39 H39A 108.9 . . ?
C38 C39 H39B 108.9 . . ?
C38 C39 C40 113.4(5) . . ?
H39A C39 H39B 107.7 . . ?
C40 C39 H39A 108.9 . . ?
C40 C39 H39B 108.9 . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
O3 C41 H41A 109.0 . . ?
O3 C41 H41B 109.0 . . ?
O3 C41 C42 113.1(4) . . ?
H41A C41 H41B 107.8 . . ?
C42 C41 H41A 109.0 . . ?
C42 C41 H41B 109.0 . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 108.0 . . ?
C43 C42 C41 110.9(5) . . ?
C43 C42 H42A 109.5 . . ?
C43 C42 H42B 109.5 . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
O4 C44 H44A 109.7 . . ?
O4 C44 H44B 109.7 . . ?
O4 C44 H44C 110.5 . . ?
O4 C44 H44D 110.5 . . ?
O4 C44 C45 109.7(11) . . ?
O4 C44 C45A 106(2) . . ?
H44A C44 H44B 108.2 . . ?
H44C C44 H44D 108.7 . . ?
C45 C44 H44A 109.7 . . ?
C45 C44 H44B 109.7 . . ?
C45A C44 H44C 110.5 . . ?
C45A C44 H44D 110.5 . . ?
C44 C45 H45A 109.1 . . ?
C44 C45 H45B 109.1 . . ?
C44 C45 C46 112.6(16) . . ?
H45A C45 H45B 107.8 . . ?
C46 C45 H45A 109.1 . . ?
C46 C45 H45B 109.1 . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C44 C45A H45C 109.3 . . ?
C44 C45A H45D 109.3 . . ?
H45C C45A H45D 108.0 . . ?
C46A C45A C44 111(4) . . ?
C46A C45A H45C 109.3 . . ?
C46A C45A H45D 109.3 . . ?
C45A C46A H46D 109.5 . . ?
C45A C46A H46E 109.5 . . ?
C45A C46A H46F 109.5 . . ?
H46D C46A H46E 109.5 . . ?
H46D C46A H46F 109.5 . . ?
H46E C46A H46F 109.5 . . ?
C48 C47 P1 122.7(4) . . ?
C52 C47 P1 118.9(4) . . ?
C52 C47 C48 118.4(5) . . ?
C47 C48 H48 119.4 . . ?
C47 C48 C49 121.1(5) . . ?
C49 C48 H48 119.4 . . ?
C48 C49 H49 120.5 . . ?
C999 C49 C48 119.0(6) . . ?
C999 C49 H49 120.5 . . ?
C52 C51 H51 119.9 . . ?
C999 C51 H51 119.9 . . ?
C999 C51 C52 120.2(5) . . ?
C47 C52 C51 120.5(6) . . ?
C47 C52 H52 119.7 . . ?
C51 C52 H52 119.7 . . ?
C54 C53 P1 118.0(4) . . ?
C58 C53 P1 124.7(4) . . ?
C58 C53 C54 117.1(4) . . ?
C53 C54 H54 119.2 . . ?
C55 C54 C53 121.5(5) . . ?
C55 C54 H54 119.2 . . ?
C54 C55 H55 120.1 . . ?
C56 C55 C54 119.9(5) . . ?
C56 C55 H55 120.1 . . ?
C55 C56 H56 120.3 . . ?
C57 C56 C55 119.5(5) . . ?
C57 C56 H56 120.3 . . ?
C56 C57 H57 119.4 . . ?
C56 C57 C58 121.1(5) . . ?
C58 C57 H57 119.4 . . ?
C53 C58 H58 119.6 . . ?
C57 C58 C53 120.8(5) . . ?
C57 C58 H58 119.6 . . ?
C49 C999 H999 119.7 . . ?
C51 C999 C49 120.7(5) . . ?
C51 C999 H999 119.7 . . ?
Cl1 C50 Cl2 111.1(5) . . ?
Cl1 C50 Cl3 110.4(4) . . ?
Cl1 C50 H50 108.5 . . ?
Cl2 C50 Cl3 109.8(4) . . ?
Cl2 C50 H50 108.5 . . ?
Cl3 C50 H50 108.5 . . ?

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
P1 C1 C2 C3 -174.7(4) . . . . ?
P1 C1 C6 C5 173.5(3) . . . . ?
P1 C1 C6 C7 -8.3(6) . . . . ?
P1 C47 C48 C49 -178.6(4) . . . . ?
P1 C47 C52 C51 179.4(4) . . . . ?
P1 C53 C54 C55 178.5(4) . . . . ?
P1 C53 C58 C57 -176.9(4) . . . . ?
O1 C35 C36 C37 -173.1(4) . . . . ?
O2 C38 C39 C40 63.1(6) . . . . ?
O3 C41 C42 C43 178.6(4) . . . . ?
O4 C10 C11 C12 179.3(4) . . . . ?
O4 C10 C11 C13 -5.5(6) . . . . ?
O4 C44 C45 C46 63.2(16) . . . . ?
O4 C44 C45A C46A 69(3) . . . . ?
C1 P1 C47 C48 27.0(5) . . . . ?
C1 P1 C47 C52 -152.7(4) . . . . ?
C1 P1 C53 C54 74.0(4) . . . . ?
C1 P1 C53 C58 -110.5(4) . . . . ?
C1 C2 C3 C4 0.1(7) . . . . ?
C1 C6 C7 C8 -53.0(6) . . . . ?
C1 C6 C7 C12 132.6(4) . . . . ?
C2 C1 C6 C5 -2.7(6) . . . . ?
C2 C1 C6 C7 175.4(4) . . . . ?
C2 C3 C4 C5 -0.5(7) . . . . ?
C3 C4 C5 C6 -0.7(7) . . . . ?
C4 C5 C6 C1 2.3(6) . . . . ?
C4 C5 C6 C7 -175.9(4) . . . . ?
C5 C6 C7 C8 125.2(4) . . . . ?
C5 C6 C7 C12 -49.3(6) . . . . ?
C6 C1 C2 C3 1.5(6) . . . . ?
C6 C7 C8 C9 -177.6(4) . . . . ?
C6 C7 C12 C11 177.5(4) . . . . ?
C7 C8 C9 C10 0.2(6) . . . . ?
C7 C8 C9 C34 176.1(4) . . . . ?
C8 C7 C12 C11 2.9(6) . . . . ?
C8 C9 C10 O4 -179.4(4) . . . . ?
C8 C9 C10 C11 3.0(6) . . . . ?
C8 C9 C34 C32 -54.5(5) . . . . ?
C9 C10 C11 C12 -3.1(6) . . . . ?
C9 C10 C11 C13 172.1(4) . . . . ?
C10 O4 C44 C45 -171.9(10) . . . . ?
C10 O4 C44 C45A 165(2) . . . . ?
C10 C9 C34 C32 121.2(4) . . . . ?
C10 C11 C12 C7 0.1(6) . . . . ?
C10 C11 C13 C14 -125.0(5) . . . . ?
C11 C13 C14 C15 -108.5(5) . . . . ?
C11 C13 C14 C19 66.4(5) . . . . ?
C12 C7 C8 C9 -3.0(6) . . . . ?
C12 C11 C13 C14 50.1(5) . . . . ?
C13 C11 C12 C7 -175.1(4) . . . . ?
C13 C14 C15 C16 173.2(5) . . . . ?
C13 C14 C19 O1 3.8(6) . . . . ?
C13 C14 C19 C18 -168.5(4) . . . . ?
C14 C15 C16 C17 -2.9(8) . . . . ?
C15 C14 C19 O1 178.9(4) . . . . ?
C15 C14 C19 C18 6.6(6) . . . . ?
C15 C16 C17 C18 2.8(8) . . . . ?
C16 C17 C18 C19 1.9(7) . . . . ?
C16 C17 C18 C20 -170.9(5) . . . . ?
C17 C18 C19 O1 -178.7(4) . . . . ?
C17 C18 C19 C14 -6.8(7) . . . . ?
C17 C18 C20 C21 111.4(5) . . . . ?
C18 C20 C21 C22 -55.9(5) . . . . ?
C18 C20 C21 C26 120.3(5) . . . . ?
C19 O1 C35 C36 -90.0(5) . . . . ?
C19 C14 C15 C16 -1.7(7) . . . . ?
C19 C18 C20 C21 -61.4(6) . . . . ?
C20 C18 C19 O1 -5.8(6) . . . . ?
C20 C18 C19 C14 166.2(4) . . . . ?
C20 C21 C22 C23 175.8(4) . . . . ?
C20 C21 C26 O2 4.9(6) . . . . ?
C20 C21 C26 C25 -173.3(4) . . . . ?
C21 C22 C23 C24 -1.8(7) . . . . ?
C22 C21 C26 O2 -178.8(4) . . . . ?
C22 C21 C26 C25 2.9(6) . . . . ?
C22 C23 C24 C25 1.9(7) . . . . ?
C23 C24 C25 C26 0.4(6) . . . . ?
C23 C24 C25 C27 -177.0(4) . . . . ?
C24 C25 C26 O2 178.9(4) . . . . ?
C24 C25 C26 C21 -2.8(6) . . . . ?
C24 C25 C27 C28 52.5(5) . . . . ?
C25 C27 C28 C29 -108.9(5) . . . . ?
C25 C27 C28 C33 64.4(5) . . . . ?
C26 O2 C38 C39 -176.6(4) . . . . ?
C26 C21 C22 C23 -0.6(6) . . . . ?
C26 C25 C27 C28 -124.8(4) . . . . ?
C27 C25 C26 O2 -3.7(6) . . . . ?
C27 C25 C26 C21 174.5(4) . . . . ?
C27 C28 C29 C30 171.5(4) . . . . ?
C27 C28 C33 O3 7.3(6) . . . . ?
C27 C28 C33 C32 -166.5(4) . . . . ?
C28 C29 C30 C31 -2.2(7) . . . . ?
C29 C28 C33 O3 -179.1(4) . . . . ?
C29 C28 C33 C32 7.1(6) . . . . ?
C29 C30 C31 C32 1.5(7) . . . . ?
C30 C31 C32 C33 3.3(7) . . . . ?
C30 C31 C32 C34 -171.1(4) . . . . ?
C31 C32 C33 O3 178.5(4) . . . . ?
C31 C32 C33 C28 -7.7(6) . . . . ?
C31 C32 C34 C9 111.4(5) . . . . ?
C33 O3 C41 C42 -82.9(5) . . . . ?
C33 C28 C29 C30 -1.9(7) . . . . ?
C33 C32 C34 C9 -62.9(5) . . . . ?
C34 C9 C10 O4 4.9(6) . . . . ?
C34 C9 C10 C11 -172.8(4) . . . . ?
C34 C32 C33 O3 -7.0(6) . . . . ?
C34 C32 C33 C28 166.8(4) . . . . ?
C35 O1 C19 C14 113.4(4) . . . . ?
C35 O1 C19 C18 -74.3(5) . . . . ?
C38 O2 C26 C21 93.4(5) . . . . ?
C38 O2 C26 C25 -88.4(5) . . . . ?
C41 O3 C33 C28 108.2(4) . . . . ?
C41 O3 C33 C32 -77.8(5) . . . . ?
C44 O4 C10 C9 93.6(5) . . . . ?
C44 O4 C10 C11 -88.7(6) . . . . ?
C47 P1 C1 C2 -84.1(4) . . . . ?
C47 P1 C1 C6 99.8(4) . . . . ?
C47 P1 C53 C54 177.8(4) . . . . ?
C47 P1 C53 C58 -6.7(5) . . . . ?
C47 C48 C49 C999 -1.1(8) . . . . ?
C48 C47 C52 C51 -0.3(7) . . . . ?
C48 C49 C999 C51 0.2(8) . . . . ?
C52 C47 C48 C49 1.1(8) . . . . ?
C52 C51 C999 C49 0.6(8) . . . . ?
C53 P1 C1 C2 19.9(4) . . . . ?
C53 P1 C1 C6 -156.2(3) . . . . ?
C53 P1 C47 C48 -77.9(4) . . . . ?
C53 P1 C47 C52 102.4(4) . . . . ?
C53 C54 C55 C56 -1.5(8) . . . . ?
C54 C53 C58 C57 -1.3(8) . . . . ?
C54 C55 C56 C57 -1.1(8) . . . . ?
C55 C56 C57 C58 2.5(9) . . . . ?
C56 C57 C58 C53 -1.2(9) . . . . ?
C58 C53 C54 C55 2.7(7) . . . . ?
C999 C51 C52 C47 -0.5(8) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
