# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_5066f
_database_code_depnum_ccdc_archive 'CCDC 2023915'
loop_
_audit_author_name
_audit_author_address
'Gregor Schnakenburg'
;University of Bonn
Germany
;
_audit_update_record             
;
2020-08-18 deposited with the CCDC.	2020-09-28 downloaded from the CCDC.
;
_audit_creation_date             2017-03-22
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.01.04 svn.r3372 for OlexSys, GUI svn.r5292)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        PJ-145
_chemical_formula_moiety         'C43 H30 Cl O5 P W, C4 H10 O'
_chemical_formula_sum            'C47 H40 Cl O6 P W'
_chemical_formula_weight         951.06
_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'
W W -0.8490 6.8722 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.9641(8)
_cell_length_b                   13.1791(8)
_cell_length_c                   14.2135(10)
_cell_angle_alpha                80.151(3)
_cell_angle_beta                 84.789(3)
_cell_angle_gamma                82.795(3)
_cell_volume                     2002.5(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9891
_cell_measurement_temperature    100
_cell_measurement_theta_max      29.64
_cell_measurement_theta_min      2.29
_shelx_estimated_absorpt_T_max   0.751
_shelx_estimated_absorpt_T_min   0.642
_exptl_absorpt_coefficient_mu    3.041
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_correction_T_min  0.5693
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   
'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.1183 before and 0.0580 after correction. The Ratio of minimum to maximum transmission is 0.7632. The λ/2 correction factor is 0.00150.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.577
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             952
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0320
_diffrn_reflns_av_unetI/netI     0.0219
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            55667
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.000
_diffrn_reflns_theta_min         2.916
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker X8-KappaApexII'
_diffrn_measurement_method       'fine slicing ω and φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed tube'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9036
_reflns_number_total             9658
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_refine_diff_density_max         1.154
_refine_diff_density_min         -0.543
_refine_diff_density_rms         0.077
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     507
_refine_ls_number_reflns         9658
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0217
_refine_ls_R_factor_gt           0.0186
_refine_ls_restrained_S_all      1.075
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0181P)²+1.5311P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0429
_refine_ls_wR_factor_ref         0.0445
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid bond restraints
 Cl, P
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
3.a Ternary CH refined with riding coordinates:
 C7(H7)
3.b Secondary CH2 refined with riding coordinates:
 C45(H45A,H45B), C46(H46A,H46B)
3.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6), C9(H9), C10(H10), C11(H11), C12(H12),
 C13(H13), C15(H15), C16(H16), C17(H17), C18(H18), C19(H19), C22(H22), C23(H23),
  C24(H24), C25(H25), C26(H26), C28(H28), C29(H29), C30(H30), C31(H31),
 C32(H32), C34(H34), C35(H35), C36(H36), C37(H37), C38(H38)
3.d Idealised Me refined as rotating group:
 C44(H44A,H44B,H44C), C47(H47A,H47B,H47C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_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
W W 0.72418(2) 0.85639(2) 0.65307(2) 0.01445(3) Uani 1 1 d . . . . .
Cl Cl 0.68428(4) 0.89322(3) 0.90641(3) 0.01691(9) Uani 1 1 d . U . . .
P P 0.59733(4) 0.82914(3) 0.81077(3) 0.01139(9) Uani 1 1 d . U . . .
O1 O 0.88684(15) 0.91988(12) 0.46255(11) 0.0280(3) Uani 1 1 d . . . . .
O2 O 0.50211(16) 0.86049(16) 0.52230(12) 0.0387(4) Uani 1 1 d . . . . .
O3 O 0.65014(18) 1.09428(12) 0.67064(12) 0.0371(4) Uani 1 1 d . . . . .
O4 O 0.96916(14) 0.85278(14) 0.75838(11) 0.0316(4) Uani 1 1 d . . . . .
O5 O 0.81201(15) 0.61955(11) 0.63614(11) 0.0281(3) Uani 1 1 d . . . . .
C1 C 0.44922(16) 0.91141(13) 0.80727(13) 0.0124(3) Uani 1 1 d . . . . .
C2 C 0.36368(18) 0.89660(14) 0.74526(13) 0.0155(4) Uani 1 1 d . . . . .
H2 H 0.3793 0.8398 0.7111 0.019 Uiso 1 1 calc R . . . .
C3 C 0.25609(17) 0.96377(14) 0.73289(13) 0.0150(4) Uani 1 1 d . . . . .
H3 H 0.1982 0.9512 0.6915 0.018 Uiso 1 1 calc R . . . .
C4 C 0.23158(17) 1.04927(14) 0.78009(13) 0.0131(3) Uani 1 1 d . . . . .
C5 C 0.31658(17) 1.06352(14) 0.84237(13) 0.0147(4) Uani 1 1 d . . . . .
H5 H 0.3010 1.1207 0.8761 0.018 Uiso 1 1 calc R . . . .
C6 C 0.42370(17) 0.99592(14) 0.85632(13) 0.0146(4) Uani 1 1 d . . . . .
H6 H 0.4800 1.0072 0.8995 0.018 Uiso 1 1 calc R . . . .
C7 C 0.11709(17) 1.12568(14) 0.76088(13) 0.0140(4) Uani 1 1 d . . . . .
H7 H 0.0665 1.0944 0.7207 0.017 Uiso 1 1 calc R . . . .
C8 C 0.14773(18) 1.22950(14) 0.70208(13) 0.0153(4) Uani 1 1 d . . . . .
C9 C 0.26142(19) 1.24056(15) 0.65131(14) 0.0186(4) Uani 1 1 d . . . . .
H9 H 0.3234 1.1831 0.6541 0.022 Uiso 1 1 calc R . . . .
C10 C 0.2848(2) 1.33531(16) 0.59640(15) 0.0230(4) Uani 1 1 d . . . . .
H10 H 0.3625 1.3417 0.5617 0.028 Uiso 1 1 calc R . . . .
C11 C 0.1963(2) 1.41999(16) 0.59205(15) 0.0248(4) Uani 1 1 d . . . . .
H11 H 0.2134 1.4848 0.5558 0.030 Uiso 1 1 calc R . . . .
C12 C 0.0825(2) 1.40940(16) 0.64109(16) 0.0261(5) Uani 1 1 d . . . . .
H12 H 0.0206 1.4669 0.6378 0.031 Uiso 1 1 calc R . . . .
C13 C 0.0585(2) 1.31467(16) 0.69517(15) 0.0216(4) Uani 1 1 d . . . . .
H13 H -0.0203 1.3081 0.7280 0.026 Uiso 1 1 calc R . . . .
C14 C 0.03798(17) 1.13841(14) 0.85317(13) 0.0141(4) Uani 1 1 d . . . . .
C15 C 0.06346(17) 1.20457(14) 0.91414(14) 0.0167(4) Uani 1 1 d . . . . .
H15 H 0.1304 1.2450 0.8975 0.020 Uiso 1 1 calc R . . . .
C16 C -0.00832(19) 1.21163(15) 0.99886(14) 0.0199(4) Uani 1 1 d . . . . .
H16 H 0.0097 1.2571 1.0396 0.024 Uiso 1 1 calc R . . . .
C17 C -0.10572(19) 1.15311(16) 1.02452(14) 0.0202(4) Uani 1 1 d . . . . .
H17 H -0.1542 1.1580 1.0828 0.024 Uiso 1 1 calc R . . . .
C18 C -0.13238(18) 1.08710(15) 0.96470(15) 0.0206(4) Uani 1 1 d . . . . .
H18 H -0.1992 1.0466 0.9819 0.025 Uiso 1 1 calc R . . . .
C19 C -0.06094(18) 1.08050(15) 0.87945(14) 0.0180(4) Uani 1 1 d . . . . .
H19 H -0.0800 1.0357 0.8385 0.022 Uiso 1 1 calc R . . . .
C20 C 0.56760(16) 0.69505(13) 0.88638(13) 0.0124(3) Uani 1 1 d . . . . .
C21 C 0.54323(17) 0.70679(14) 0.99244(13) 0.0135(3) Uani 1 1 d . . . . .
C22 C 0.44410(17) 0.77470(14) 1.02263(14) 0.0154(4) Uani 1 1 d . . . . .
H22 H 0.3903 0.8127 0.9771 0.019 Uiso 1 1 calc R . . . .
C23 C 0.42330(18) 0.78736(14) 1.11795(14) 0.0176(4) Uani 1 1 d . . . . .
H23 H 0.3557 0.8337 1.1369 0.021 Uiso 1 1 calc R . . . .
C24 C 0.50086(19) 0.73264(15) 1.18560(14) 0.0196(4) Uani 1 1 d . . . . .
H24 H 0.4875 0.7422 1.2506 0.024 Uiso 1 1 calc R . . . .
C25 C 0.59785(19) 0.66400(15) 1.15738(14) 0.0199(4) Uani 1 1 d . . . . .
H25 H 0.6505 0.6254 1.2035 0.024 Uiso 1 1 calc R . . . .
C26 C 0.61861(18) 0.65117(14) 1.06188(14) 0.0167(4) Uani 1 1 d . . . . .
H26 H 0.6854 0.6036 1.0436 0.020 Uiso 1 1 calc R . . . .
C27 C 0.68272(17) 0.61773(14) 0.87205(13) 0.0133(3) Uani 1 1 d . . . . .
C28 C 0.80098(18) 0.64569(15) 0.87441(14) 0.0178(4) Uani 1 1 d . . . . .
H28 H 0.8107 0.7146 0.8812 0.021 Uiso 1 1 calc R . . . .
C29 C 0.90401(19) 0.57473(16) 0.86702(16) 0.0230(4) Uani 1 1 d . . . . .
H29 H 0.9837 0.5957 0.8673 0.028 Uiso 1 1 calc R . . . .
C30 C 0.89195(19) 0.47315(16) 0.85921(15) 0.0224(4) Uani 1 1 d . . . . .
H30 H 0.9629 0.4244 0.8546 0.027 Uiso 1 1 calc R . . . .
C31 C 0.77558(19) 0.44353(15) 0.85817(14) 0.0200(4) Uani 1 1 d . . . . .
H31 H 0.7666 0.3739 0.8532 0.024 Uiso 1 1 calc R . . . .
C32 C 0.67137(18) 0.51504(14) 0.86432(13) 0.0162(4) Uani 1 1 d . . . . .
H32 H 0.5919 0.4938 0.8632 0.019 Uiso 1 1 calc R . . . .
C33 C 0.45717(17) 0.66232(13) 0.84380(13) 0.0136(3) Uani 1 1 d . . . . .
C34 C 0.46680(18) 0.64916(14) 0.74745(14) 0.0169(4) Uani 1 1 d . . . . .
H34 H 0.5413 0.6606 0.7096 0.020 Uiso 1 1 calc R . . . .
C35 C 0.36915(19) 0.61961(15) 0.70648(15) 0.0206(4) Uani 1 1 d . . . . .
H35 H 0.3764 0.6128 0.6407 0.025 Uiso 1 1 calc R . . . .
C36 C 0.26106(19) 0.60004(16) 0.76182(17) 0.0246(4) Uani 1 1 d . . . . .
H36 H 0.1940 0.5800 0.7342 0.030 Uiso 1 1 calc R . . . .
C37 C 0.25200(19) 0.60996(17) 0.85713(16) 0.0240(4) Uani 1 1 d . . . . .
H37 H 0.1787 0.5955 0.8955 0.029 Uiso 1 1 calc R . . . .
C38 C 0.34911(18) 0.64095(15) 0.89805(14) 0.0177(4) Uani 1 1 d . . . . .
H38 H 0.3412 0.6475 0.9639 0.021 Uiso 1 1 calc R . . . .
C39 C 0.82631(19) 0.89630(15) 0.53074(15) 0.0207(4) Uani 1 1 d . . . . .
C40 C 0.5786(2) 0.85827(17) 0.57201(15) 0.0228(4) Uani 1 1 d . . . . .
C41 C 0.6760(2) 1.00937(16) 0.66358(14) 0.0230(4) Uani 1 1 d . . . . .
C42 C 0.87964(19) 0.85447(16) 0.72291(14) 0.0200(4) Uani 1 1 d . . . . .
C43 C 0.77757(18) 0.70329(16) 0.64372(14) 0.0188(4) Uani 1 1 d . . . . .
O6 O 0.26227(14) 0.67748(12) 0.46915(11) 0.0268(3) Uani 1 1 d . . . . .
C44 C 0.1678(2) 0.8119(2) 0.55250(18) 0.0352(6) Uani 1 1 d . . . . .
H44A H 0.2458 0.8425 0.5412 0.053 Uiso 1 1 calc GR . . . .
H44B H 0.1662 0.7659 0.6145 0.053 Uiso 1 1 calc GR . . . .
H44C H 0.0990 0.8670 0.5527 0.053 Uiso 1 1 calc GR . . . .
C45 C 0.1560(2) 0.75096(18) 0.47483(17) 0.0282(5) Uani 1 1 d . . . . .
H45A H 0.0810 0.7147 0.4889 0.034 Uiso 1 1 calc R . . . .
H45B H 0.1486 0.7981 0.4129 0.034 Uiso 1 1 calc R . . . .
C46 C 0.2700(2) 0.63048(17) 0.38625(16) 0.0269(5) Uani 1 1 d . . . . .
H46A H 0.2702 0.6842 0.3283 0.032 Uiso 1 1 calc R . . . .
H46B H 0.1980 0.5918 0.3870 0.032 Uiso 1 1 calc R . . . .
C47 C 0.3870(2) 0.55770(17) 0.38464(17) 0.0277(5) Uani 1 1 d . . . . .
H47A H 0.3952 0.5267 0.3261 0.042 Uiso 1 1 calc GR . . . .
H47B H 0.3845 0.5029 0.4406 0.042 Uiso 1 1 calc GR . . . .
H47C H 0.4576 0.5961 0.3861 0.042 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
W P 2.5241(5) . ?
W C39 2.009(2) . ?
W C40 2.047(2) . ?
W C41 2.047(2) . ?
W C42 2.044(2) . ?
W C43 2.052(2) . ?
Cl P 2.0737(6) . ?
P C1 1.8357(18) . ?
P C20 1.9533(18) . ?
O1 C39 1.144(3) . ?
O2 C40 1.139(3) . ?
O3 C41 1.139(3) . ?
O4 C42 1.139(3) . ?
O5 C43 1.141(2) . ?
C1 C2 1.396(3) . ?
C1 C6 1.399(2) . ?
C2 C3 1.389(3) . ?
C3 C4 1.394(3) . ?
C4 C5 1.392(3) . ?
C4 C7 1.522(2) . ?
C5 C6 1.390(3) . ?
C7 C8 1.535(3) . ?
C7 C14 1.528(2) . ?
C8 C9 1.394(3) . ?
C8 C13 1.390(3) . ?
C9 C10 1.395(3) . ?
C10 C11 1.381(3) . ?
C11 C12 1.384(3) . ?
C12 C13 1.391(3) . ?
C14 C15 1.397(3) . ?
C14 C19 1.391(3) . ?
C15 C16 1.388(3) . ?
C16 C17 1.381(3) . ?
C17 C18 1.388(3) . ?
C18 C19 1.391(3) . ?
C20 C21 1.538(2) . ?
C20 C27 1.541(2) . ?
C20 C33 1.540(3) . ?
C21 C22 1.403(3) . ?
C21 C26 1.394(3) . ?
C22 C23 1.388(3) . ?
C23 C24 1.388(3) . ?
C24 C25 1.384(3) . ?
C25 C26 1.391(3) . ?
C27 C28 1.396(3) . ?
C27 C32 1.398(3) . ?
C28 C29 1.382(3) . ?
C29 C30 1.386(3) . ?
C30 C31 1.382(3) . ?
C31 C32 1.393(3) . ?
C33 C34 1.403(3) . ?
C33 C38 1.386(3) . ?
C34 C35 1.390(3) . ?
C35 C36 1.388(3) . ?
C36 C37 1.377(3) . ?
C37 C38 1.393(3) . ?
O6 C45 1.424(3) . ?
O6 C46 1.413(3) . ?
C44 C45 1.495(3) . ?
C46 C47 1.503(3) . ?

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
C39 W P 172.75(6) . . ?
C39 W C40 87.90(8) . . ?
C39 W C41 90.42(8) . . ?
C39 W C42 87.12(8) . . ?
C39 W C43 89.13(8) . . ?
C40 W P 94.47(6) . . ?
C40 W C43 90.96(8) . . ?
C41 W P 82.71(6) . . ?
C41 W C40 90.65(9) . . ?
C41 W C43 178.31(8) . . ?
C42 W P 90.64(6) . . ?
C42 W C40 174.84(8) . . ?
C42 W C41 90.73(9) . . ?
C42 W C43 87.63(8) . . ?
C43 W P 97.67(6) . . ?
Cl P W 106.54(2) . . ?
C1 P W 112.01(6) . . ?
C1 P Cl 100.63(6) . . ?
C1 P C20 107.32(8) . . ?
C20 P W 125.66(6) . . ?
C20 P Cl 101.26(6) . . ?
C2 C1 P 118.93(13) . . ?
C2 C1 C6 118.16(16) . . ?
C6 C1 P 122.53(14) . . ?
C3 C2 C1 120.88(17) . . ?
C2 C3 C4 121.11(17) . . ?
C3 C4 C7 120.32(16) . . ?
C5 C4 C3 117.90(17) . . ?
C5 C4 C7 121.75(16) . . ?
C6 C5 C4 121.43(17) . . ?
C5 C6 C1 120.49(17) . . ?
C4 C7 C8 112.41(15) . . ?
C4 C7 C14 111.55(15) . . ?
C14 C7 C8 112.86(14) . . ?
C9 C8 C7 122.04(17) . . ?
C13 C8 C7 119.68(17) . . ?
C13 C8 C9 118.22(18) . . ?
C8 C9 C10 120.50(19) . . ?
C11 C10 C9 120.7(2) . . ?
C10 C11 C12 119.28(19) . . ?
C11 C12 C13 120.2(2) . . ?
C8 C13 C12 121.2(2) . . ?
C15 C14 C7 122.19(17) . . ?
C19 C14 C7 119.42(17) . . ?
C19 C14 C15 118.37(17) . . ?
C16 C15 C14 120.49(18) . . ?
C17 C16 C15 120.60(19) . . ?
C16 C17 C18 119.65(18) . . ?
C17 C18 C19 119.78(19) . . ?
C14 C19 C18 121.12(18) . . ?
C21 C20 P 109.22(12) . . ?
C21 C20 C27 110.60(14) . . ?
C21 C20 C33 113.47(15) . . ?
C27 C20 P 108.12(12) . . ?
C33 C20 P 105.34(12) . . ?
C33 C20 C27 109.84(14) . . ?
C22 C21 C20 120.89(16) . . ?
C26 C21 C20 121.52(16) . . ?
C26 C21 C22 117.60(17) . . ?
C23 C22 C21 121.14(18) . . ?
C24 C23 C22 120.31(18) . . ?
C25 C24 C23 119.33(18) . . ?
C24 C25 C26 120.37(19) . . ?
C25 C26 C21 121.24(18) . . ?
C28 C27 C20 120.99(16) . . ?
C28 C27 C32 118.03(17) . . ?
C32 C27 C20 120.77(16) . . ?
C29 C28 C27 121.08(18) . . ?
C28 C29 C30 120.50(19) . . ?
C31 C30 C29 119.31(18) . . ?
C30 C31 C32 120.48(18) . . ?
C31 C32 C27 120.59(18) . . ?
C34 C33 C20 119.40(17) . . ?
C38 C33 C20 122.56(17) . . ?
C38 C33 C34 118.00(17) . . ?
C35 C34 C33 121.07(19) . . ?
C36 C35 C34 119.94(19) . . ?
C37 C36 C35 119.40(19) . . ?
C36 C37 C38 120.8(2) . . ?
C33 C38 C37 120.78(19) . . ?
O1 C39 W 178.07(19) . . ?
O2 C40 W 176.02(19) . . ?
O3 C41 W 179.0(2) . . ?
O4 C42 W 177.12(17) . . ?
O5 C43 W 176.86(18) . . ?
C46 O6 C45 112.54(17) . . ?
O6 C45 C44 108.98(19) . . ?
O6 C46 C47 108.63(18) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
