# 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_5065g
_database_code_depnum_ccdc_archive 'CCDC 1919557'
loop_
_audit_author_name
_audit_author_address
'Gregor Schnakenburg'
;University of Bonn
Germany
;
_audit_update_record             
;
2019-05-29 deposited with the CCDC.	2020-12-01 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-151
_chemical_formula_moiety         'C17 H10 Cl2 N O5 P W'
_chemical_formula_sum            'C17 H10 Cl2 N O5 P W'
_chemical_formula_weight         593.98
_chemical_absolute_configuration ad
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_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'

_cell_length_a                   9.085(5)
_cell_length_b                   13.306(8)
_cell_length_c                   16.740(11)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2024(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6316
_cell_measurement_temperature    123
_cell_measurement_theta_max      27.26
_cell_measurement_theta_min      2.43
_shelx_estimated_absorpt_T_max   0.529
_shelx_estimated_absorpt_T_min   0.362
_exptl_absorpt_coefficient_mu    6.078
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_correction_T_min  0.4745
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   
'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.1472 before and 0.0821 after correction. The Ratio of minimum to maximum transmission is 0.6361. 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    1.950
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1128
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0499
_diffrn_reflns_av_unetI/netI     0.0408
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            29500
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.999
_diffrn_reflns_theta_min         2.975
_diffrn_ambient_temperature      123
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Nonius KappaCCD'
_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         0.765
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     1.000
_reflns_number_gt                4414
_reflns_number_total             4866
_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         0.588
_refine_diff_density_min         -0.591
_refine_diff_density_rms         0.090
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.021(9)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     245
_refine_ls_number_reflns         4866
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0318
_refine_ls_R_factor_gt           0.0257
_refine_ls_restrained_S_all      1.045
_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)+(0.0161P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0471
_refine_ls_wR_factor_ref         0.0490
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.979(9) 0.021(9)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
3. Uiso/Uaniso restraints and constraints
Uanis(O1) \\sim Ueq, Uanis(O4) \\sim Ueq: with sigma of 0.002 and sigma for
terminal atoms of 0.004
4.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12)
;
_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 0.85456(2) 0.35493(2) 0.69457(2) 0.03376(7) Uani 1 1 d . . . . .
Cl1 Cl 1.1554(2) 0.50432(18) 0.58948(12) 0.0804(6) Uani 1 1 d . . . . .
Cl2 Cl 1.10333(19) 0.28912(17) 0.52325(11) 0.0700(6) Uani 1 1 d . . . . .
P P 0.98212(15) 0.40354(13) 0.57229(9) 0.0390(4) Uani 1 1 d . . . . .
O1 O 0.7029(6) 0.2795(4) 0.8542(3) 0.0728(15) Uani 1 1 d . U . . .
O2 O 0.5318(4) 0.3908(4) 0.6246(3) 0.0570(13) Uani 1 1 d . . . . .
O3 O 0.8833(6) 0.5808(4) 0.7583(3) 0.0691(14) Uani 1 1 d . . . . .
O4 O 1.1595(7) 0.3076(5) 0.7780(4) 0.0842(17) Uani 1 1 d . U . . .
O5 O 0.8482(6) 0.1295(4) 0.6276(3) 0.0684(14) Uani 1 1 d . . . . .
N N 0.8939(4) 0.4458(4) 0.4919(3) 0.0359(11) Uani 1 1 d . . . . .
C1 C 0.7727(6) 0.5170(4) 0.5022(3) 0.0353(13) Uani 1 1 d . . . . .
C2 C 0.7873(7) 0.6014(5) 0.5511(4) 0.0452(15) Uani 1 1 d . . . . .
H2 H 0.8767 0.6141 0.5788 0.054 Uiso 1 1 calc R . . . .
C3 C 0.6684(9) 0.6668(5) 0.5583(4) 0.066(2) Uani 1 1 d . . . . .
H3 H 0.6767 0.7246 0.5913 0.079 Uiso 1 1 calc R . . . .
C4 C 0.5388(8) 0.6485(7) 0.5181(4) 0.0622(19) Uani 1 1 d . . . . .
H4 H 0.4580 0.6932 0.5239 0.075 Uiso 1 1 calc R . . . .
C5 C 0.5265(7) 0.5653(6) 0.4695(4) 0.0537(17) Uani 1 1 d . . . . .
H5 H 0.4375 0.5532 0.4413 0.064 Uiso 1 1 calc R . . . .
C6 C 0.6430(7) 0.4996(5) 0.4615(4) 0.0451(14) Uani 1 1 d . . . . .
H6 H 0.6339 0.4423 0.4280 0.054 Uiso 1 1 calc R . . . .
C7 C 0.9504(5) 0.4394(5) 0.4103(3) 0.0361(13) Uani 1 1 d . . . . .
C8 C 1.0288(7) 0.5189(6) 0.3788(4) 0.0509(17) Uani 1 1 d . . . . .
H8 H 1.0496 0.5768 0.4100 0.061 Uiso 1 1 calc R . . . .
C9 C 1.0768(7) 0.5116(6) 0.2992(5) 0.0630(19) Uani 1 1 d . . . . .
H9 H 1.1311 0.5653 0.2762 0.076 Uiso 1 1 calc R . . . .
C10 C 1.0463(8) 0.4281(7) 0.2544(4) 0.058(2) Uani 1 1 d . . . . .
H10 H 1.0796 0.4245 0.2007 0.070 Uiso 1 1 calc R . . . .
C11 C 0.9682(6) 0.3499(6) 0.2864(3) 0.0513(16) Uani 1 1 d . . . . .
H11 H 0.9477 0.2921 0.2550 0.062 Uiso 1 1 calc R . . . .
C12 C 0.9192(6) 0.3552(7) 0.3646(3) 0.0445(14) Uani 1 1 d . . . . .
H12 H 0.8643 0.3013 0.3869 0.053 Uiso 1 1 calc R . . . .
C13 C 0.7570(7) 0.3080(5) 0.7974(4) 0.0478(15) Uani 1 1 d . . . . .
C14 C 0.6471(7) 0.3810(4) 0.6474(3) 0.0399(13) Uani 1 1 d . . . . .
C15 C 0.8690(8) 0.5002(5) 0.7359(3) 0.0428(14) Uani 1 1 d . . . . .
C16 C 1.0509(7) 0.3240(5) 0.7461(4) 0.0535(17) Uani 1 1 d . . . . .
C17 C 0.8475(7) 0.2098(5) 0.6513(4) 0.0427(14) Uani 1 1 d . . . . .


_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 2.4395(19) . ?
W C13 2.034(7) . ?
W C14 2.073(6) . ?
W C15 2.057(7) . ?
W C16 2.024(6) . ?
W C17 2.064(7) . ?
Cl1 P 2.088(2) . ?
Cl2 P 2.051(3) . ?
P N 1.665(5) . ?
O1 C13 1.136(8) . ?
O2 C14 1.122(7) . ?
O3 C15 1.144(8) . ?
O4 C16 1.143(8) . ?
O5 C17 1.139(8) . ?
N C1 1.463(7) . ?
N C7 1.461(7) . ?
C1 C2 1.395(8) . ?
C1 C6 1.382(8) . ?
C2 C3 1.392(9) . ?
C3 C4 1.378(10) . ?
C4 C5 1.379(11) . ?
C5 C6 1.379(9) . ?
C7 C8 1.380(9) . ?
C7 C12 1.387(10) . ?
C8 C9 1.406(10) . ?
C9 C10 1.369(11) . ?
C10 C11 1.369(10) . ?
C11 C12 1.385(8) . ?

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
C13 W P 176.67(19) . . ?
C13 W C14 88.7(2) . . ?
C13 W C15 91.8(2) . . ?
C13 W C17 89.8(2) . . ?
C14 W P 93.92(15) . . ?
C15 W P 90.17(18) . . ?
C15 W C14 91.7(2) . . ?
C15 W C17 177.9(3) . . ?
C16 W P 89.6(2) . . ?
C16 W C13 87.7(3) . . ?
C16 W C14 176.3(3) . . ?
C16 W C15 89.5(3) . . ?
C16 W C17 89.2(3) . . ?
C17 W P 88.18(18) . . ?
C17 W C14 89.7(2) . . ?
Cl1 P W 114.39(9) . . ?
Cl2 P W 113.22(10) . . ?
Cl2 P Cl1 97.31(11) . . ?
N P W 122.63(16) . . ?
N P Cl1 104.92(19) . . ?
N P Cl2 100.70(19) . . ?
C1 N P 119.0(4) . . ?
C7 N P 124.5(3) . . ?
C7 N C1 114.4(4) . . ?
C2 C1 N 121.3(5) . . ?
C6 C1 N 118.3(5) . . ?
C6 C1 C2 120.4(5) . . ?
C3 C2 C1 118.7(6) . . ?
C4 C3 C2 120.7(6) . . ?
C3 C4 C5 119.9(6) . . ?
C6 C5 C4 120.3(6) . . ?
C5 C6 C1 120.0(6) . . ?
C8 C7 N 119.6(6) . . ?
C8 C7 C12 121.0(6) . . ?
C12 C7 N 119.4(5) . . ?
C7 C8 C9 118.0(7) . . ?
C10 C9 C8 120.9(6) . . ?
C9 C10 C11 120.5(7) . . ?
C10 C11 C12 119.9(8) . . ?
C11 C12 C7 119.8(7) . . ?
O1 C13 W 178.4(6) . . ?
O2 C14 W 176.0(5) . . ?
O3 C15 W 177.1(6) . . ?
O4 C16 W 177.4(7) . . ?
O5 C17 W 177.8(6) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.979(9)
2 0.021(9)
####################################################################### 
# 
# 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_5802
_database_code_depnum_ccdc_archive 'CCDC 1919561'
loop_
_audit_author_name
_audit_author_address
'Gregor Schnakenburg'
;University of Bonn
Germany
;
_audit_update_record             
;
2019-05-29 deposited with the CCDC.	2020-12-01 downloaded from the CCDC.
;
_audit_creation_date             2019-04-17
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2018.07.26 svn.r3523 for OlexSys, GUI svn.r5532)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        PJ-237
_chemical_formula_moiety         'C34 H46 N2 O10 P2 W2'
_chemical_formula_sum            'C34 H46 N2 O10 P2 W2'
_chemical_formula_weight         1072.37
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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                   11.5880(5)
_cell_length_b                   11.8529(5)
_cell_length_c                   16.5434(7)
_cell_angle_alpha                78.659(4)
_cell_angle_beta                 82.857(3)
_cell_angle_gamma                62.420(4)
_cell_volume                     1973.28(16)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9919
_cell_measurement_temperature    100
_cell_measurement_theta_max      29.39
_cell_measurement_theta_min      2.39
_shelx_estimated_absorpt_T_max   0.841
_shelx_estimated_absorpt_T_min   0.587
_exptl_absorpt_coefficient_mu    5.960
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.4373
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   
'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.1704 before and 0.0989 after correction. The Ratio of minimum to maximum transmission is 0.5864. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.805
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1044
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1254
_diffrn_reflns_av_unetI/netI     0.0544
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            56984
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.248
_diffrn_reflns_theta_min         1.963
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5761
_reflns_number_total             7150
_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 v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_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    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         8.197
_refine_diff_density_min         -2.636
_refine_diff_density_rms         0.339
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     457
_refine_ls_number_reflns         7150
_refine_ls_number_restraints     60
_refine_ls_R_factor_all          0.1039
_refine_ls_R_factor_gt           0.0842
_refine_ls_restrained_S_all      1.082
_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)+(0.1005P)²+74.5534P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1972
_refine_ls_wR_factor_ref         0.2166
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All P(H) groups
2. Rigid bond restraints
 C2, C3
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C19, C20
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C21, C22
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C1, C6
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C18, C19
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C18, C23
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
3. Uiso/Uaniso restraints and constraints
O9 \\sim C33: within 2A with sigma of 0.002 and sigma for terminal atoms of
0.004
O3 \\sim C15: within 2A with sigma of 0.001 and sigma for terminal atoms of
0.002
Uanis(C33) \\sim Ueq, Uanis(C31) \\sim Ueq, Uanis(C3) \\sim Ueq, Uanis(C16)
\\sim Ueq, Uanis(C15) \\sim Ueq: with sigma of 0.002 and sigma for terminal
atoms of 0.004
Uanis(C33) \\sim Ueq, Uanis(C15) \\sim Ueq, Uanis(C17) \\sim Ueq: with sigma of
0.002 and sigma for terminal atoms of 0.004
Uanis(C20) \\sim Ueq: with sigma of 0.002 and sigma for terminal atoms of 0.004
4.a Ternary CH refined with riding coordinates:
 C1(H1A), C7(H7), C18(H18), C24(H24)
4.b Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B), C6(H6A,H6B), C8(H8A,H8B),
 C9(H9A,H9B), C10(H10A,H10B), C11(H11A,H11B), C12(H12A,H12B), C19(H19A,H19B),
 C20(H20A,H20B), C21(H21A,H21B), C22(H22A,H22B), C23(H23A,H23B), C25(H25A,H25B),
  C26(H26A,H26B), C27(H27A,H27B), C28(H28A,H28B), C29(H29A,H29B)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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 0.27823(6) 0.28101(6) 0.39762(4) 0.0254(2) Uani 1 1 d . . . . .
W2 W 0.23308(6) 0.77063(6) 0.40012(4) 0.0262(2) Uani 1 1 d . . . . .
P1 P 0.1979(4) 0.4976(4) 0.3074(3) 0.0252(8) Uani 1 1 d . . . . .
H1 H 0.086(16) 0.594(16) 0.351(10) 0.030 Uiso 1 1 d R . . . .
P2 P 0.3248(4) 0.6007(4) 0.3074(3) 0.0259(8) Uani 1 1 d . . . . .
H2 H 0.431(16) 0.494(16) 0.333(10) 0.031 Uiso 1 1 d R . . . .
O1 O 0.3546(12) 0.0355(13) 0.5363(9) 0.048(3) Uani 1 1 d . . . . .
O2 O 0.4152(14) 0.1022(13) 0.2593(9) 0.056(4) Uani 1 1 d . . . . .
O3 O 0.0099(9) 0.2748(9) 0.3840(6) 0.0174(16) Uani 1 1 d . U . . .
O4 O 0.1388(12) 0.4507(13) 0.5412(8) 0.043(3) Uani 1 1 d . . . . .
O5 O 0.5562(11) 0.2584(11) 0.4210(7) 0.031(2) Uani 1 1 d . . . . .
O6 O 0.1393(11) 0.9438(13) 0.5408(8) 0.043(3) Uani 1 1 d . . . . .
O7 O -0.0461(11) 0.7826(11) 0.4223(8) 0.039(3) Uani 1 1 d . . . . .
O8 O 0.3578(13) 0.5270(12) 0.5415(8) 0.042(3) Uani 1 1 d . . . . .
O9 O 0.4989(10) 0.7903(10) 0.3847(6) 0.0257(19) Uani 1 1 d . U . . .
O10 O 0.1117(15) 1.0223(14) 0.2648(9) 0.056(4) Uani 1 1 d . . . . .
N1 N 0.1283(12) 0.5321(12) 0.2165(8) 0.026(3) Uani 1 1 d . . . . .
N2 N 0.4022(12) 0.6132(12) 0.2161(8) 0.027(3) Uani 1 1 d . . . . .
C1 C 0.0039(15) 0.6541(15) 0.1935(10) 0.031(3) Uani 1 1 d . U . . .
H1A H -0.0162 0.6531 0.1366 0.037 Uiso 1 1 calc R . . . .
C2 C -0.1110(16) 0.6525(17) 0.2512(11) 0.034(4) Uani 1 1 d . U . . .
H2A H -0.1190 0.5731 0.2504 0.041 Uiso 1 1 calc R . . . .
H2B H -0.0958 0.6539 0.3085 0.041 Uiso 1 1 calc R . . . .
C3 C -0.2368(17) 0.7721(16) 0.2211(11) 0.033(3) Uani 1 1 d . U . . .
H3A H -0.2542 0.7674 0.1651 0.040 Uiso 1 1 calc R . . . .
H3B H -0.3111 0.7736 0.2583 0.040 Uiso 1 1 calc R . . . .
C4 C -0.2247(17) 0.8945(16) 0.2193(12) 0.039(4) Uani 1 1 d . . . . .
H4A H -0.2128 0.9021 0.2759 0.046 Uiso 1 1 calc R . . . .
H4B H -0.3056 0.9701 0.1987 0.046 Uiso 1 1 calc R . . . .
C5 C -0.1086(18) 0.8927(16) 0.1633(11) 0.040(4) Uani 1 1 d . . . . .
H5A H -0.1244 0.8928 0.1059 0.048 Uiso 1 1 calc R . . . .
H5B H -0.0998 0.9715 0.1645 0.048 Uiso 1 1 calc R . . . .
C6 C 0.0156(17) 0.7760(17) 0.1903(11) 0.036(4) Uani 1 1 d . U . . .
H6A H 0.0362 0.7804 0.2456 0.044 Uiso 1 1 calc R . . . .
H6B H 0.0880 0.7753 0.1513 0.044 Uiso 1 1 calc R . . . .
C7 C 0.1765(15) 0.4347(16) 0.1612(10) 0.030(4) Uani 1 1 d . . . . .
H7 H 0.2580 0.3616 0.1851 0.036 Uiso 1 1 calc R . . . .
C8 C 0.2128(16) 0.4805(18) 0.0744(11) 0.036(4) Uani 1 1 d . . . . .
H8A H 0.1338 0.5525 0.0484 0.044 Uiso 1 1 calc R . . . .
H8B H 0.2759 0.5141 0.0771 0.044 Uiso 1 1 calc R . . . .
C9 C 0.2707(17) 0.3775(19) 0.0215(10) 0.040(4) Uani 1 1 d . . . . .
H9A H 0.3545 0.3090 0.0439 0.047 Uiso 1 1 calc R . . . .
H9B H 0.2882 0.4141 -0.0351 0.047 Uiso 1 1 calc R . . . .
C10 C 0.176(2) 0.319(2) 0.0189(11) 0.047(5) Uani 1 1 d . . . . .
H10A H 0.0963 0.3850 -0.0096 0.056 Uiso 1 1 calc R . . . .
H10B H 0.2181 0.2461 -0.0127 0.056 Uiso 1 1 calc R . . . .
C11 C 0.1386(19) 0.2715(18) 0.1057(12) 0.040(4) Uani 1 1 d . . . . .
H11A H 0.2165 0.1980 0.1317 0.048 Uiso 1 1 calc R . . . .
H11B H 0.0730 0.2410 0.1028 0.048 Uiso 1 1 calc R . . . .
C12 C 0.0824(16) 0.3804(15) 0.1586(11) 0.033(4) Uani 1 1 d . . . . .
H12A H -0.0003 0.4501 0.1356 0.039 Uiso 1 1 calc R . . . .
H12B H 0.0630 0.3463 0.2155 0.039 Uiso 1 1 calc R . . . .
C13 C 0.3257(14) 0.1271(15) 0.4838(11) 0.031(4) Uani 1 1 d . . . . .
C14 C 0.3615(16) 0.1713(16) 0.3079(12) 0.036(4) Uani 1 1 d . . . . .
C15 C 0.1086(11) 0.2777(11) 0.3919(7) 0.0063(16) Uani 1 1 d . U . . .
C16 C 0.1913(16) 0.3873(16) 0.4882(10) 0.030(3) Uani 1 1 d . U . . .
C17 C 0.4565(16) 0.2682(15) 0.4125(10) 0.028(3) Uani 1 1 d . U . . .
C18 C 0.5288(14) 0.5089(15) 0.1937(10) 0.027(3) Uani 1 1 d . U . . .
H18 H 0.5544 0.5385 0.1366 0.032 Uiso 1 1 calc R . . . .
C19 C 0.6384(16) 0.4785(16) 0.2499(10) 0.032(3) Uani 1 1 d . U . . .
H19A H 0.6465 0.5581 0.2500 0.039 Uiso 1 1 calc R . . . .
H19B H 0.6167 0.4479 0.3070 0.039 Uiso 1 1 calc R . . . .
C20 C 0.7675(19) 0.3761(18) 0.2208(12) 0.042(4) Uani 1 1 d . U . . .
H20A H 0.8361 0.3575 0.2586 0.050 Uiso 1 1 calc R . . . .
H20B H 0.7920 0.4095 0.1651 0.050 Uiso 1 1 calc R . . . .
C21 C 0.7605(16) 0.2500(18) 0.2176(13) 0.044(4) Uani 1 1 d . U . . .
H21A H 0.8440 0.1875 0.1951 0.052 Uiso 1 1 calc R . . . .
H21B H 0.7446 0.2112 0.2739 0.052 Uiso 1 1 calc R . . . .
C22 C 0.6511(16) 0.2806(17) 0.1633(13) 0.039(4) Uani 1 1 d . U . . .
H22A H 0.6435 0.2008 0.1633 0.047 Uiso 1 1 calc R . . . .
H22B H 0.6728 0.3108 0.1060 0.047 Uiso 1 1 calc R . . . .
C23 C 0.5171(15) 0.3854(15) 0.1914(11) 0.031(3) Uani 1 1 d . U . . .
H23A H 0.4497 0.4043 0.1526 0.037 Uiso 1 1 calc R . . . .
H23B H 0.4906 0.3535 0.2469 0.037 Uiso 1 1 calc R . . . .
C24 C 0.3586(16) 0.7428(16) 0.1627(9) 0.028(3) Uani 1 1 d . . . . .
H24 H 0.2758 0.8024 0.1891 0.034 Uiso 1 1 calc R . . . .
C25 C 0.4569(18) 0.7972(18) 0.1627(11) 0.037(4) Uani 1 1 d . . . . .
H25A H 0.4697 0.8010 0.2199 0.045 Uiso 1 1 calc R . . . .
H25B H 0.5421 0.7401 0.1387 0.045 Uiso 1 1 calc R . . . .
C26 C 0.404(2) 0.9321(19) 0.1119(14) 0.051(5) Uani 1 1 d . . . . .
H26A H 0.3246 0.9906 0.1400 0.061 Uiso 1 1 calc R . . . .
H26B H 0.4699 0.9645 0.1090 0.061 Uiso 1 1 calc R . . . .
C27 C 0.374(2) 0.935(2) 0.0264(13) 0.051(5) Uani 1 1 d . . . . .
H27A H 0.4548 0.8835 -0.0040 0.061 Uiso 1 1 calc R . . . .
H27B H 0.3362 1.0247 -0.0029 0.061 Uiso 1 1 calc R . . . .
C28 C 0.277(2) 0.8803(18) 0.0275(11) 0.043(5) Uani 1 1 d . . . . .
H28A H 0.1922 0.9374 0.0520 0.052 Uiso 1 1 calc R . . . .
H28B H 0.2630 0.8774 -0.0297 0.052 Uiso 1 1 calc R . . . .
C29 C 0.3271(17) 0.7463(16) 0.0769(10) 0.034(4) Uani 1 1 d . . . . .
H29A H 0.2605 0.7153 0.0796 0.041 Uiso 1 1 calc R . . . .
H29B H 0.4064 0.6873 0.0486 0.041 Uiso 1 1 calc R . . . .
C30 C 0.1738(16) 0.8815(17) 0.4878(11) 0.033(4) Uani 1 1 d . . . . .
C31 C 0.0524(18) 0.7747(17) 0.4166(11) 0.035(4) Uani 1 1 d . U . . .
C32 C 0.3085(18) 0.6175(17) 0.4896(11) 0.036(4) Uani 1 1 d . . . . .
C33 C 0.4059(12) 0.7734(12) 0.3968(7) 0.011(2) Uani 1 1 d . U . . .
C34 C 0.1565(19) 0.932(2) 0.3129(11) 0.043(5) Uani 1 1 d . . . . .


_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 P1 2.511(4) . ?
W1 C13 1.977(17) . ?
W1 C14 2.02(2) . ?
W1 C15 1.998(11) . ?
W1 C16 2.010(17) . ?
W1 C17 2.042(16) . ?
W2 P2 2.523(4) . ?
W2 C30 1.993(17) . ?
W2 C31 2.056(18) . ?
W2 C32 2.011(19) . ?
W2 C33 2.012(12) . ?
W2 C34 2.04(2) . ?
P1 H1 1.49(16) . ?
P1 P2 2.306(5) . ?
P1 N1 1.684(13) . ?
P2 H2 1.34(17) . ?
P2 N2 1.675(14) . ?
O1 C13 1.19(2) . ?
O2 C14 1.17(2) . ?
O3 C15 1.184(15) . ?
O4 C16 1.19(2) . ?
O5 C17 1.131(19) . ?
O6 C30 1.17(2) . ?
O7 C31 1.09(2) . ?
O8 C32 1.19(2) . ?
O9 C33 1.172(16) . ?
O10 C34 1.14(2) . ?
N1 C1 1.518(19) . ?
N1 C7 1.474(19) . ?
N2 C18 1.477(19) . ?
N2 C24 1.501(19) . ?
C1 H1A 1.0000 . ?
C1 C2 1.54(2) . ?
C1 C6 1.50(2) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C3 1.54(2) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C4 1.51(2) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C4 C5 1.53(3) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C5 C6 1.50(2) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 H7 1.0000 . ?
C7 C8 1.51(2) . ?
C7 C12 1.51(2) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 C9 1.49(2) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C10 1.56(3) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C11 1.52(3) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C12 1.54(2) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C18 H18 1.0000 . ?
C18 C19 1.53(2) . ?
C18 C23 1.54(2) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.52(2) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C21 1.55(3) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C22 1.51(2) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 C23 1.56(2) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24 1.0000 . ?
C24 C25 1.55(2) . ?
C24 C29 1.50(2) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C26 1.53(3) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 C27 1.49(3) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C27 C28 1.53(3) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C28 C29 1.51(2) . ?
C29 H29A 0.9900 . ?
C29 H29B 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
C13 W1 P1 170.4(5) . . ?
C13 W1 C14 91.7(7) . . ?
C13 W1 C15 87.5(5) . . ?
C13 W1 C16 87.2(7) . . ?
C13 W1 C17 86.7(6) . . ?
C14 W1 P1 97.8(5) . . ?
C14 W1 C17 88.0(6) . . ?
C15 W1 P1 91.3(3) . . ?
C15 W1 C14 92.2(6) . . ?
C15 W1 C16 86.1(6) . . ?
C15 W1 C17 174.2(5) . . ?
C16 W1 P1 83.2(5) . . ?
C16 W1 C14 178.0(6) . . ?
C16 W1 C17 93.6(6) . . ?
C17 W1 P1 94.5(5) . . ?
C30 W2 P2 170.9(5) . . ?
C30 W2 C31 85.9(7) . . ?
C30 W2 C32 87.6(7) . . ?
C30 W2 C33 87.8(6) . . ?
C30 W2 C34 89.8(7) . . ?
C31 W2 P2 95.0(5) . . ?
C32 W2 P2 83.3(5) . . ?
C32 W2 C31 92.4(7) . . ?
C32 W2 C33 85.3(6) . . ?
C32 W2 C34 177.3(7) . . ?
C33 W2 P2 90.9(3) . . ?
C33 W2 C31 173.4(6) . . ?
C33 W2 C34 93.7(6) . . ?
C34 W2 P2 99.3(6) . . ?
C34 W2 C31 88.3(7) . . ?
W1 P1 H1 109(6) . . ?
P2 P1 W1 114.04(19) . . ?
P2 P1 H1 93(6) . . ?
N1 P1 W1 123.8(5) . . ?
N1 P1 H1 98(6) . . ?
N1 P1 P2 112.7(5) . . ?
W2 P2 H2 116(7) . . ?
P1 P2 W2 113.46(19) . . ?
P1 P2 H2 95(7) . . ?
N2 P2 W2 124.4(5) . . ?
N2 P2 P1 112.4(5) . . ?
N2 P2 H2 89(7) . . ?
C1 N1 P1 122.2(10) . . ?
C7 N1 P1 120.1(10) . . ?
C7 N1 C1 117.0(12) . . ?
C18 N2 P2 122.2(10) . . ?
C18 N2 C24 117.3(12) . . ?
C24 N2 P2 119.2(10) . . ?
N1 C1 H1A 106.9 . . ?
N1 C1 C2 110.4(13) . . ?
C2 C1 H1A 106.9 . . ?
C6 C1 N1 113.8(13) . . ?
C6 C1 H1A 106.9 . . ?
C6 C1 C2 111.6(14) . . ?
C1 C2 H2A 110.0 . . ?
C1 C2 H2B 110.0 . . ?
H2A C2 H2B 108.4 . . ?
C3 C2 C1 108.5(13) . . ?
C3 C2 H2A 110.0 . . ?
C3 C2 H2B 110.0 . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 108.1 . . ?
C4 C3 C2 110.7(14) . . ?
C4 C3 H3A 109.5 . . ?
C4 C3 H3B 109.5 . . ?
C3 C4 H4A 109.6 . . ?
C3 C4 H4B 109.6 . . ?
C3 C4 C5 110.3(15) . . ?
H4A C4 H4B 108.1 . . ?
C5 C4 H4A 109.6 . . ?
C5 C4 H4B 109.6 . . ?
C4 C5 H5A 109.4 . . ?
C4 C5 H5B 109.4 . . ?
H5A C5 H5B 108.0 . . ?
C6 C5 C4 111.3(14) . . ?
C6 C5 H5A 109.4 . . ?
C6 C5 H5B 109.4 . . ?
C1 C6 H6A 109.4 . . ?
C1 C6 H6B 109.4 . . ?
C5 C6 C1 111.0(15) . . ?
C5 C6 H6A 109.4 . . ?
C5 C6 H6B 109.4 . . ?
H6A C6 H6B 108.0 . . ?
N1 C7 H7 106.7 . . ?
N1 C7 C8 114.3(14) . . ?
N1 C7 C12 112.1(13) . . ?
C8 C7 H7 106.7 . . ?
C12 C7 H7 106.7 . . ?
C12 C7 C8 109.9(13) . . ?
C7 C8 H8A 108.9 . . ?
C7 C8 H8B 108.9 . . ?
H8A C8 H8B 107.7 . . ?
C9 C8 C7 113.3(15) . . ?
C9 C8 H8A 108.9 . . ?
C9 C8 H8B 108.9 . . ?
C8 C9 H9A 109.6 . . ?
C8 C9 H9B 109.6 . . ?
C8 C9 C10 110.2(15) . . ?
H9A C9 H9B 108.1 . . ?
C10 C9 H9A 109.6 . . ?
C10 C9 H9B 109.6 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 108.1 . . ?
C11 C10 C9 110.8(14) . . ?
C11 C10 H10A 109.5 . . ?
C11 C10 H10B 109.5 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 C12 110.7(15) . . ?
H11A C11 H11B 108.1 . . ?
C12 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
C7 C12 C11 111.4(14) . . ?
C7 C12 H12A 109.3 . . ?
C7 C12 H12B 109.3 . . ?
C11 C12 H12A 109.3 . . ?
C11 C12 H12B 109.3 . . ?
H12A C12 H12B 108.0 . . ?
O1 C13 W1 179.0(16) . . ?
O2 C14 W1 175.9(15) . . ?
O3 C15 W1 176.3(10) . . ?
O4 C16 W1 179.3(16) . . ?
O5 C17 W1 178.6(14) . . ?
N2 C18 H18 107.3 . . ?
N2 C18 C19 113.6(14) . . ?
N2 C18 C23 111.2(12) . . ?
C19 C18 H18 107.3 . . ?
C19 C18 C23 110.0(12) . . ?
C23 C18 H18 107.3 . . ?
C18 C19 H19A 109.4 . . ?
C18 C19 H19B 109.4 . . ?
H19A C19 H19B 108.0 . . ?
C20 C19 C18 111.0(14) . . ?
C20 C19 H19A 109.4 . . ?
C20 C19 H19B 109.4 . . ?
C19 C20 H20A 109.2 . . ?
C19 C20 H20B 109.2 . . ?
C19 C20 C21 112.0(15) . . ?
H20A C20 H20B 107.9 . . ?
C21 C20 H20A 109.2 . . ?
C21 C20 H20B 109.2 . . ?
C20 C21 H21A 109.9 . . ?
C20 C21 H21B 109.9 . . ?
H21A C21 H21B 108.3 . . ?
C22 C21 C20 108.8(15) . . ?
C22 C21 H21A 109.9 . . ?
C22 C21 H21B 109.9 . . ?
C21 C22 H22A 108.9 . . ?
C21 C22 H22B 108.9 . . ?
C21 C22 C23 113.2(15) . . ?
H22A C22 H22B 107.8 . . ?
C23 C22 H22A 108.9 . . ?
C23 C22 H22B 108.9 . . ?
C18 C23 C22 109.3(13) . . ?
C18 C23 H23A 109.8 . . ?
C18 C23 H23B 109.8 . . ?
C22 C23 H23A 109.8 . . ?
C22 C23 H23B 109.8 . . ?
H23A C23 H23B 108.3 . . ?
N2 C24 H24 106.4 . . ?
N2 C24 C25 111.2(13) . . ?
C25 C24 H24 106.4 . . ?
C29 C24 N2 114.3(13) . . ?
C29 C24 H24 106.4 . . ?
C29 C24 C25 111.7(13) . . ?
C24 C25 H25A 109.8 . . ?
C24 C25 H25B 109.8 . . ?
H25A C25 H25B 108.3 . . ?
C26 C25 C24 109.2(15) . . ?
C26 C25 H25A 109.8 . . ?
C26 C25 H25B 109.8 . . ?
C25 C26 H26A 109.1 . . ?
C25 C26 H26B 109.1 . . ?
H26A C26 H26B 107.8 . . ?
C27 C26 C25 112.7(17) . . ?
C27 C26 H26A 109.1 . . ?
C27 C26 H26B 109.1 . . ?
C26 C27 H27A 109.4 . . ?
C26 C27 H27B 109.4 . . ?
C26 C27 C28 111.1(16) . . ?
H27A C27 H27B 108.0 . . ?
C28 C27 H27A 109.4 . . ?
C28 C27 H27B 109.4 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 108.1 . . ?
C29 C28 C27 110.8(16) . . ?
C29 C28 H28A 109.5 . . ?
C29 C28 H28B 109.5 . . ?
C24 C29 C28 112.1(14) . . ?
C24 C29 H29A 109.2 . . ?
C24 C29 H29B 109.2 . . ?
C28 C29 H29A 109.2 . . ?
C28 C29 H29B 109.2 . . ?
H29A C29 H29B 107.9 . . ?
O6 C30 W2 178.2(16) . . ?
O7 C31 W2 176.2(16) . . ?
O8 C32 W2 177.4(16) . . ?
O9 C33 W2 169.6(11) . . ?
O10 C34 W2 178.9(17) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
#END---------------------------------------------------------------------------

