# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_201409183
_database_code_depnum_ccdc_archive 'CCDC 1025472'
_audit_update_record             
;
2014-09-22 deposited with the CCDC.
2015-01-19 downloaded from the CCDC.
;
_audit_creation_date             2014-09-19
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.08.28 svn.r2986 for OlexSys, GUI svn.r4874)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         '2(C19 H11 O5.95 P W)'
_chemical_formula_sum            'C38 H22 O12 P2 W2'
_chemical_formula_weight         1100.20
_chemical_melting_point          ?
_chemical_oxdiff_formula         C20H20O4P1W1
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'
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'

_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_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, -z'

_cell_length_a                   11.5815(7)
_cell_length_b                   13.2137(7)
_cell_length_c                   14.4201(10)
_cell_angle_alpha                63.056(6)
_cell_angle_beta                 74.408(5)
_cell_angle_gamma                84.555(5)
_cell_volume                     1893.91(19)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    3910
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      25.3030
_cell_measurement_theta_min      3.2620
_exptl_absorpt_coefficient_mu    6.216
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.36853
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.929
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1048
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0419
_diffrn_reflns_av_unetI/netI     0.0673
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            15675
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         3.13
_diffrn_ambient_temperature      291.15
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.2312
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -20.00   25.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.2104  -99.0000  -60.0000 45

#__ type_ start__ end____ width___ exp.time_
  2 omega  -48.00   46.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -       19.7885  -37.0000  -30.0000 94

#__ type_ start__ end____ width___ exp.time_
  3 omega  -10.00   74.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -       19.7885   77.0000 -120.0000 84

#__ type_ start__ end____ width___ exp.time_
  4 omega   48.00   85.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -       19.7885  178.0000    0.0000 37

#__ type_ start__ end____ width___ exp.time_
  5 omega  -24.00   87.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -       19.7885   19.0000 -180.0000 111

#__ type_ start__ end____ width___ exp.time_
  6 omega   21.00   62.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -       19.7885  -99.0000  120.0000 41

#__ type_ start__ end____ width___ exp.time_
  7 omega  -53.00  -16.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -       19.7885    0.0000   60.0000 37
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0216523000
_diffrn_orient_matrix_UB_12      0.0255962000
_diffrn_orient_matrix_UB_13      0.0350398000
_diffrn_orient_matrix_UB_21      -0.0464838000
_diffrn_orient_matrix_UB_22      0.0248358000
_diffrn_orient_matrix_UB_23      -0.0261426000
_diffrn_orient_matrix_UB_31      -0.0376386000
_diffrn_orient_matrix_UB_32      -0.0485569000
_diffrn_orient_matrix_UB_33      0.0366402000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                5265
_reflns_number_total             7707
_reflns_odcompleteness_completeness 99.84
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         5.899
_refine_diff_density_min         -1.676
_refine_diff_density_rms         0.233
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     490
_refine_ls_number_reflns         7707
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1055
_refine_ls_R_factor_gt           0.0741
_refine_ls_restrained_S_all      1.031
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1251P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1825
_refine_ls_wR_factor_ref         0.2109
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C6(H6), C7(H7), C8(H8), C9(H9), C13(H13), C14(H14), C15(H15), C16(H16),
 C6'(H6'), C7'(H7'), C8'(H8'), C9'(H9'), C13'(H13'), C14'(H14'), C15'(H15'),
 C16'(H16')
2.b Idealised Me refined as rotating group:
 C19(H19A,H19B,H19C), C19'(H19D,H19E,H19F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
W1 W 0.13764(4) 0.21287(4) 0.53572(4) 0.0584(2) Uani 1 d A . .
P1 P 0.3335(3) 0.3108(2) 0.4811(2) 0.0500(7) Uani 1 d . . .
O1 O 0.0696(11) 0.4240(10) 0.3385(9) 0.107(4) Uani 1 d . . .
O2 O 0.0276(15) 0.3258(12) 0.6924(11) 0.137(6) Uani 1 d . . .
O3 O -0.1133(11) 0.0982(11) 0.5878(13) 0.138(6) Uani 1 d . . .
O4 O 0.1968(12) -0.0072(10) 0.7313(12) 0.131(8) Uani 0.95(4) d A 1 .
O5 O 0.2599(13) 0.1071(13) 0.3738(13) 0.136(6) Uani 1 d A . .
O6 O 0.4762(8) 0.1438(7) 0.4848(8) 0.068(2) Uani 1 d . . .
C1 C 0.0934(12) 0.3482(12) 0.4109(13) 0.073(4) Uani 1 d . . .
C2 C 0.0635(14) 0.2828(13) 0.6392(12) 0.077(4) Uani 1 d . . .
C3 C -0.0217(17) 0.1385(13) 0.5677(14) 0.096(5) Uani 1 d . . .
C4 C 0.1774(14) 0.0718(13) 0.6625(15) 0.096(6) Uani 1 d . . .
C5 C 0.2159(14) 0.1421(14) 0.4343(17) 0.092(5) Uani 1 d . . .
C6 C 0.4833(15) 0.6291(11) 0.3452(10) 0.072(4) Uani 1 d . . .
H6 H 0.5580 0.6665 0.3138 0.087 Uiso 1 calc . . R
C7 C 0.3834(16) 0.6903(11) 0.3586(11) 0.077(4) Uani 1 d . . .
H7 H 0.3914 0.7685 0.3324 0.093 Uiso 1 calc . . R
C8 C 0.2697(16) 0.6377(11) 0.4109(12) 0.086(5) Uani 1 d . . .
H8 H 0.2025 0.6794 0.4218 0.103 Uiso 1 calc . . R
C9 C 0.2597(13) 0.5212(10) 0.4461(11) 0.067(3) Uani 1 d . . .
H9 H 0.1844 0.4852 0.4791 0.080 Uiso 1 calc . . R
C10 C 0.3605(11) 0.4570(9) 0.4331(9) 0.051(3) Uani 1 d . . .
C11 C 0.4772(10) 0.5109(8) 0.3772(9) 0.046(2) Uani 1 d . . .
C12 C 0.5839(11) 0.4456(11) 0.3668(9) 0.056(3) Uani 1 d . . .
C13 C 0.6959(13) 0.5057(14) 0.3133(10) 0.077(4) Uani 1 d . . .
H13 H 0.7002 0.5842 0.2861 0.093 Uiso 1 calc . . R
C14 C 0.7981(14) 0.4456(18) 0.3024(12) 0.091(5) Uani 1 d . . .
H14 H 0.8720 0.4842 0.2733 0.110 Uiso 1 calc . . R
C15 C 0.7959(12) 0.3325(15) 0.3322(12) 0.079(4) Uani 1 d . . .
H15 H 0.8664 0.2965 0.3173 0.095 Uiso 1 calc . . R
C16 C 0.6893(12) 0.2716(13) 0.3845(10) 0.071(4) Uani 1 d . . .
H16 H 0.6886 0.1934 0.4081 0.086 Uiso 1 calc . . R
C17 C 0.5806(11) 0.3260(11) 0.4029(9) 0.056(3) Uani 1 d . . .
C18 C 0.4731(11) 0.2610(9) 0.4545(8) 0.050(3) Uani 1 d . . .
C19 C 0.4989(16) 0.0754(11) 0.5901(12) 0.088(5) Uani 1 d . . .
H19A H 0.4464 0.0970 0.6417 0.133 Uiso 1 calc . . GR
H19B H 0.5807 0.0873 0.5866 0.133 Uiso 1 calc . . GR
H19C H 0.4845 -0.0034 0.6114 0.133 Uiso 1 calc . . GR
W1' W 0.80806(4) 0.86576(4) -0.05383(4) 0.05371(19) Uani 1 d . . .
P1' P 0.6818(3) 0.6932(2) 0.0153(2) 0.0494(7) Uani 1 d . . .
O1' O 0.9958(12) 0.7088(9) 0.0712(11) 0.115(4) Uani 1 d . . .
O2' O 0.9640(12) 0.8437(10) -0.2606(10) 0.112(4) Uani 1 d . . .
O3' O 0.9666(13) 1.0786(10) -0.1208(11) 0.120(5) Uani 1 d . . .
O4' O 0.6298(11) 1.0167(10) -0.1955(10) 0.109(4) Uani 1 d . . .
O5' O 0.6667(14) 0.9001(12) 0.1498(10) 0.128(5) Uani 1 d . . .
O6' O 0.8502(7) 0.5484(7) 0.0111(7) 0.061(2) Uani 1 d . . .
C1' C 0.9299(16) 0.7685(11) 0.0241(14) 0.083(4) Uani 1 d . . .
C2' C 0.9076(13) 0.8503(12) -0.1890(12) 0.072(4) Uani 1 d . . .
C3' C 0.9110(14) 1.0027(11) -0.0967(11) 0.070(4) Uani 1 d . . .
C4' C 0.6948(15) 0.9623(12) -0.1454(12) 0.076(4) Uani 1 d . . .
C5' C 0.7149(14) 0.8872(13) 0.0791(12) 0.077(4) Uani 1 d . . .
C6' C 0.3396(13) 0.5712(13) 0.1566(10) 0.069(4) Uani 1 d . . .
H6' H 0.2964 0.5025 0.1908 0.083 Uiso 1 calc . . R
C7' C 0.2792(13) 0.6635(15) 0.1473(12) 0.082(5) Uani 1 d . . .
H7' H 0.1965 0.6576 0.1751 0.099 Uiso 1 calc . . R
C8' C 0.3375(14) 0.7706(14) 0.0962(13) 0.087(5) Uani 1 d . . .
H8' H 0.2950 0.8357 0.0902 0.105 Uiso 1 calc . . R
C9' C 0.4595(12) 0.7756(11) 0.0553(11) 0.067(3) Uani 1 d . . .
H9' H 0.5001 0.8458 0.0193 0.081 Uiso 1 calc . . R
C10' C 0.5248(10) 0.6765(10) 0.0668(9) 0.051(3) Uani 1 d . . .
C11' C 0.4644(9) 0.5689(9) 0.1186(7) 0.040(2) Uani 1 d . . .
C12' C 0.5252(12) 0.4659(11) 0.1268(9) 0.058(3) Uani 1 d . . .
C13' C 0.4593(13) 0.3601(11) 0.1770(9) 0.068(4) Uani 1 d . . .
H13' H 0.3766 0.3587 0.2036 0.082 Uiso 1 calc . . R
C14' C 0.5140(18) 0.2631(12) 0.1866(11) 0.083(5) Uani 1 d . . .
H14' H 0.4673 0.1972 0.2156 0.100 Uiso 1 calc . . R
C15' C 0.6398(18) 0.2571(11) 0.1543(12) 0.083(5) Uani 1 d . . .
H15' H 0.6764 0.1884 0.1645 0.099 Uiso 1 calc . . R
C16' C 0.7053(14) 0.3558(11) 0.1078(10) 0.071(4) Uani 1 d . . .
H16' H 0.7883 0.3542 0.0855 0.085 Uiso 1 calc . . R
C17' C 0.6515(12) 0.4595(9) 0.0925(9) 0.056(3) Uani 1 d . . .
C18' C 0.7294(10) 0.5591(10) 0.0404(8) 0.052(3) Uani 1 d . . .
C19' C 0.8961(13) 0.5561(13) -0.0956(11) 0.079(4) Uani 1 d . . .
H19D H 0.8742 0.4880 -0.0958 0.119 Uiso 1 calc . . GR
H19E H 0.9819 0.5653 -0.1162 0.119 Uiso 1 calc . . GR
H19F H 0.8627 0.6203 -0.1456 0.119 Uiso 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
W1 P1 2.472(3) . ?
W1 C1 2.026(16) . ?
W1 C2 2.056(16) . ?
W1 C3 2.015(19) . ?
W1 C4 2.057(18) . ?
W1 C5 2.050(18) . ?
P1 C10 1.760(11) . ?
P1 C18 1.700(11) . ?
O1 C1 1.150(16) . ?
O2 C2 1.124(17) . ?
O3 C3 1.137(19) . ?
O4 C4 1.123(19) . ?
O5 C5 1.147(19) . ?
O6 C18 1.405(13) . ?
O6 C19 1.455(16) . ?
C6 H6 0.9300 . ?
C6 C7 1.37(2) . ?
C6 C11 1.417(16) . ?
C7 H7 0.9300 . ?
C7 C8 1.40(2) . ?
C8 H8 0.9300 . ?
C8 C9 1.390(17) . ?
C9 H9 0.9300 . ?
C9 C10 1.398(16) . ?
C10 C11 1.435(15) . ?
C11 C12 1.452(17) . ?
C12 C13 1.418(17) . ?
C12 C17 1.423(17) . ?
C13 H13 0.9300 . ?
C13 C14 1.37(2) . ?
C14 H14 0.9300 . ?
C14 C15 1.35(2) . ?
C15 H15 0.9300 . ?
C15 C16 1.371(19) . ?
C16 H16 0.9300 . ?
C16 C17 1.412(17) . ?
C17 C18 1.402(16) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
W1' P1' 2.473(3) . ?
W1' C1' 2.026(16) . ?
W1' C2' 2.068(14) . ?
W1' C3' 2.019(14) . ?
W1' C4' 2.045(17) . ?
W1' C5' 2.059(15) . ?
P1' C10' 1.764(12) . ?
P1' C18' 1.708(12) . ?
O1' C1' 1.160(18) . ?
O2' C2' 1.099(15) . ?
O3' C3' 1.107(15) . ?
O4' C4' 1.150(18) . ?
O5' C5' 1.103(16) . ?
O6' C18' 1.362(13) . ?
O6' C19' 1.445(15) . ?
C6' H6' 0.9300 . ?
C6' C7' 1.32(2) . ?
C6' C11' 1.404(17) . ?
C7' H7' 0.9300 . ?
C7' C8' 1.40(2) . ?
C8' H8' 0.9300 . ?
C8' C9' 1.371(19) . ?
C9' H9' 0.9300 . ?
C9' C10' 1.414(16) . ?
C10' C11' 1.418(15) . ?
C11' C12' 1.442(16) . ?
C12' C13' 1.431(16) . ?
C12' C17' 1.421(18) . ?
C13' H13' 0.9300 . ?
C13' C14' 1.34(2) . ?
C14' H14' 0.9300 . ?
C14' C15' 1.41(2) . ?
C15' H15' 0.9300 . ?
C15' C16' 1.359(19) . ?
C16' H16' 0.9300 . ?
C16' C17' 1.398(17) . ?
C17' C18' 1.440(16) . ?
C19' H19D 0.9600 . ?
C19' H19E 0.9600 . ?
C19' H19F 0.9600 . ?

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 W1 P1 87.6(4) . . ?
C1 W1 C2 91.7(6) . . ?
C1 W1 C4 177.8(6) . . ?
C1 W1 C5 89.5(7) . . ?
C2 W1 P1 92.2(5) . . ?
C2 W1 C4 89.0(7) . . ?
C3 W1 P1 175.4(5) . . ?
C3 W1 C1 88.6(6) . . ?
C3 W1 C2 90.5(7) . . ?
C3 W1 C4 89.2(6) . . ?
C3 W1 C5 90.8(7) . . ?
C4 W1 P1 94.5(4) . . ?
C5 W1 P1 86.6(4) . . ?
C5 W1 C2 178.3(6) . . ?
C5 W1 C4 89.9(8) . . ?
C10 P1 W1 127.1(4) . . ?
C18 P1 W1 128.4(4) . . ?
C18 P1 C10 103.2(6) . . ?
C18 O6 C19 114.1(9) . . ?
O1 C1 W1 178.6(15) . . ?
O2 C2 W1 176.1(14) . . ?
O3 C3 W1 177.7(18) . . ?
O4 C4 W1 177.8(17) . . ?
O5 C5 W1 177.0(18) . . ?
C7 C6 H6 118.8 . . ?
C7 C6 C11 122.4(13) . . ?
C11 C6 H6 118.8 . . ?
C6 C7 H7 119.3 . . ?
C6 C7 C8 121.3(12) . . ?
C8 C7 H7 119.3 . . ?
C7 C8 H8 120.9 . . ?
C9 C8 C7 118.1(14) . . ?
C9 C8 H8 120.9 . . ?
C8 C9 H9 119.3 . . ?
C8 C9 C10 121.5(13) . . ?
C10 C9 H9 119.3 . . ?
C9 C10 P1 116.2(9) . . ?
C9 C10 C11 120.7(11) . . ?
C11 C10 P1 123.0(9) . . ?
C6 C11 C10 115.7(11) . . ?
C6 C11 C12 122.1(11) . . ?
C10 C11 C12 121.7(10) . . ?
C13 C12 C11 117.8(12) . . ?
C13 C12 C17 118.8(13) . . ?
C17 C12 C11 123.3(10) . . ?
C12 C13 H13 120.6 . . ?
C14 C13 C12 118.8(15) . . ?
C14 C13 H13 120.6 . . ?
C13 C14 H14 118.5 . . ?
C15 C14 C13 122.9(14) . . ?
C15 C14 H14 118.5 . . ?
C14 C15 H15 120.1 . . ?
C14 C15 C16 119.7(14) . . ?
C16 C15 H15 120.1 . . ?
C15 C16 H16 119.6 . . ?
C15 C16 C17 120.8(14) . . ?
C17 C16 H16 119.6 . . ?
C16 C17 C12 118.7(12) . . ?
C18 C17 C12 122.2(11) . . ?
C18 C17 C16 119.1(12) . . ?
O6 C18 P1 114.6(8) . . ?
C17 C18 P1 126.2(9) . . ?
C17 C18 O6 119.1(10) . . ?
O6 C19 H19A 109.5 . . ?
O6 C19 H19B 109.5 . . ?
O6 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C1' W1' P1' 89.4(4) . . ?
C1' W1' C2' 87.6(7) . . ?
C1' W1' C4' 174.4(6) . . ?
C1' W1' C5' 91.8(7) . . ?
C2' W1' P1' 94.4(4) . . ?
C3' W1' P1' 174.9(4) . . ?
C3' W1' C1' 87.7(6) . . ?
C3' W1' C2' 89.6(5) . . ?
C3' W1' C4' 92.3(6) . . ?
C3' W1' C5' 87.6(6) . . ?
C4' W1' P1' 91.0(4) . . ?
C4' W1' C2' 86.8(6) . . ?
C4' W1' C5' 93.7(6) . . ?
C5' W1' P1' 88.4(4) . . ?
C5' W1' C2' 177.2(5) . . ?
C10' P1' W1' 127.9(4) . . ?
C18' P1' W1' 127.2(4) . . ?
C18' P1' C10' 104.3(6) . . ?
C18' O6' C19' 114.8(10) . . ?
O1' C1' W1' 176.9(14) . . ?
O2' C2' W1' 177.5(15) . . ?
O3' C3' W1' 179.2(16) . . ?
O4' C4' W1' 178.9(14) . . ?
O5' C5' W1' 178.6(16) . . ?
C7' C6' H6' 117.6 . . ?
C7' C6' C11' 124.7(13) . . ?
C11' C6' H6' 117.6 . . ?
C6' C7' H7' 119.4 . . ?
C6' C7' C8' 121.2(13) . . ?
C8' C7' H7' 119.4 . . ?
C7' C8' H8' 121.3 . . ?
C9' C8' C7' 117.5(13) . . ?
C9' C8' H8' 121.3 . . ?
C8' C9' H9' 119.3 . . ?
C8' C9' C10' 121.4(13) . . ?
C10' C9' H9' 119.3 . . ?
C9' C10' P1' 117.2(9) . . ?
C9' C10' C11' 120.3(11) . . ?
C11' C10' P1' 122.5(8) . . ?
C6' C11' C10' 114.8(10) . . ?
C6' C11' C12' 122.3(10) . . ?
C10' C11' C12' 122.8(10) . . ?
C13' C12' C11' 120.5(12) . . ?
C17' C12' C11' 124.0(11) . . ?
C17' C12' C13' 115.4(12) . . ?
C12' C13' H13' 119.2 . . ?
C14' C13' C12' 121.6(14) . . ?
C14' C13' H13' 119.2 . . ?
C13' C14' H14' 118.7 . . ?
C13' C14' C15' 122.6(13) . . ?
C15' C14' H14' 118.7 . . ?
C14' C15' H15' 121.4 . . ?
C16' C15' C14' 117.3(13) . . ?
C16' C15' H15' 121.4 . . ?
C15' C16' H16' 119.0 . . ?
C15' C16' C17' 122.0(15) . . ?
C17' C16' H16' 119.0 . . ?
C12' C17' C18' 121.6(11) . . ?
C16' C17' C12' 121.1(12) . . ?
C16' C17' C18' 117.3(13) . . ?
O6' C18' P1' 115.9(9) . . ?
O6' C18' C17' 119.5(10) . . ?
C17' C18' P1' 124.5(9) . . ?
O6' C19' H19D 109.5 . . ?
O6' C19' H19E 109.5 . . ?
O6' C19' H19F 109.5 . . ?
H19D C19' H19E 109.5 . . ?
H19D C19' H19F 109.5 . . ?
H19E C19' H19F 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_201409188
_database_code_depnum_ccdc_archive 'CCDC 1026163'
_audit_update_record             
;
2014-09-25 deposited with the CCDC.
2015-01-19 downloaded from the CCDC.
;
_audit_creation_date             2014-09-25
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.09.19 svn.r3010 for OlexSys, GUI svn.r4874)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C19 H12 Cl O6 P W'
_chemical_formula_sum            'C19 H12 Cl O6 P W'
_chemical_formula_weight         586.56
_chemical_melting_point          ?
_chemical_oxdiff_formula         C11H20N1O1W1Cl1
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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   12.4704(7)
_cell_length_b                   11.0754(5)
_cell_length_c                   14.5549(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.502(5)
_cell_angle_gamma                90.00
_cell_volume                     2010.16(17)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2927
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      27.2630
_cell_measurement_theta_min      3.3350
_exptl_absorpt_coefficient_mu    5.991
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.73364
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.938
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1120
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0329
_diffrn_reflns_av_unetI/netI     0.0470
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            9588
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         3.27
_diffrn_ambient_temperature      291.15
_diffrn_detector_area_resol_mean 16.2312
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -21.00    5.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.2104  -99.0000   90.0000 26

#__ type_ start__ end____ width___ exp.time_
  2 omega  -25.00   20.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.2104  -99.0000  150.0000 45

#__ type_ start__ end____ width___ exp.time_
  3 omega   58.00   96.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       19.7885 -178.0000  120.0000 38

#__ type_ start__ end____ width___ exp.time_
  4 omega   57.00   85.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       19.7885  178.0000  -30.0000 28

#__ type_ start__ end____ width___ exp.time_
  5 omega  -40.00   91.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       19.7885    0.0000  -90.0000 131
;
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0448543000
_diffrn_orient_matrix_UB_12      -0.0371308000
_diffrn_orient_matrix_UB_13      0.0103319000
_diffrn_orient_matrix_UB_21      -0.0269930000
_diffrn_orient_matrix_UB_22      -0.0502654000
_diffrn_orient_matrix_UB_23      -0.0196672000
_diffrn_orient_matrix_UB_31      0.0223028000
_diffrn_orient_matrix_UB_32      0.0139860000
_diffrn_orient_matrix_UB_33      -0.0433596000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                3299
_reflns_number_total             4099
_reflns_odcompleteness_completeness 99.70
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.405
_refine_diff_density_min         -0.761
_refine_diff_density_rms         0.121
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     254
_refine_ls_number_reflns         4099
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0482
_refine_ls_R_factor_gt           0.0332
_refine_ls_restrained_S_all      1.053
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0222P)²+0.7800P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0616
_refine_ls_wR_factor_ref         0.0679
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C18(H18)
2.b Aromatic/amide H refined with riding coordinates:
 C6(H6), C7(H7), C8(H8), C9(H9), C13(H13), C14(H14), C15(H15), C16(H16)
2.c Idealised Me refined as rotating group:
 C19(H19A,H19B,H19C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
W1 W 0.441480(16) 1.05486(2) 0.268307(13) 0.03649(8) Uani 1 d . . .
Cl1 Cl 0.39500(12) 0.72089(15) 0.32711(11) 0.0630(4) Uani 1 d . . .
P1 P 0.49951(11) 0.84345(13) 0.26897(9) 0.0377(3) Uani 1 d . . .
O1 O 0.6342(4) 1.1207(5) 0.1358(4) 0.0979(19) Uani 1 d . . .
O2 O 0.2908(4) 1.0000(5) 0.0964(3) 0.0911(16) Uani 1 d . . .
O3 O 0.3651(4) 1.3253(4) 0.2632(3) 0.0726(13) Uani 1 d . . .
O4 O 0.2502(3) 0.9960(5) 0.4026(3) 0.0760(14) Uani 1 d . . .
O5 O 0.5885(4) 1.1120(5) 0.4434(3) 0.0756(13) Uani 1 d . . .
O6 O 0.6281(3) 0.8275(4) 0.4174(2) 0.0623(11) Uani 1 d . . .
C1 C 0.5648(5) 1.0959(6) 0.1832(4) 0.0613(17) Uani 1 d . . .
C2 C 0.3454(5) 1.0189(6) 0.1574(4) 0.0574(16) Uani 1 d . . .
C3 C 0.3929(4) 1.2290(6) 0.2648(4) 0.0469(14) Uani 1 d . . .
C4 C 0.3194(5) 1.0154(6) 0.3541(4) 0.0527(15) Uani 1 d . . .
C5 C 0.5378(5) 1.0903(5) 0.3804(4) 0.0497(14) Uani 1 d . . .
C6 C 0.6465(5) 0.7199(6) 0.0393(4) 0.0546(15) Uani 1 d . . .
H6 H 0.7155 0.7156 0.0157 0.066 Uiso 1 calc . . R
C7 C 0.5621(6) 0.6712(6) -0.0097(4) 0.0662(18) Uani 1 d . . .
H7 H 0.5745 0.6378 -0.0672 0.079 Uiso 1 calc . . R
C8 C 0.4600(5) 0.6708(7) 0.0246(4) 0.069(2) Uani 1 d . . .
H8 H 0.4039 0.6356 -0.0084 0.083 Uiso 1 calc . . R
C9 C 0.4420(5) 0.7233(6) 0.1084(4) 0.0545(15) Uani 1 d . . .
H9 H 0.3729 0.7249 0.1318 0.065 Uiso 1 calc . . R
C10 C 0.5253(4) 0.7739(5) 0.1589(3) 0.0393(12) Uani 1 d . . .
C11 C 0.6300(4) 0.7758(5) 0.1243(3) 0.0381(12) Uani 1 d . . .
C12 C 0.7190(4) 0.8363(5) 0.1746(3) 0.0423(13) Uani 1 d . . .
C13 C 0.8065(5) 0.8815(6) 0.1283(4) 0.0546(15) Uani 1 d . . .
H13 H 0.8112 0.8710 0.0650 0.066 Uiso 1 calc . . R
C14 C 0.8875(5) 0.9427(6) 0.1750(6) 0.071(2) Uani 1 d . . .
H14 H 0.9468 0.9705 0.1431 0.086 Uiso 1 calc . . R
C15 C 0.8806(5) 0.9623(6) 0.2679(5) 0.0680(19) Uani 1 d . . .
H15 H 0.9342 1.0052 0.2984 0.082 Uiso 1 calc . . R
C16 C 0.7952(5) 0.9189(5) 0.3154(4) 0.0563(16) Uani 1 d . . .
H16 H 0.7900 0.9336 0.3781 0.068 Uiso 1 calc . . R
C17 C 0.7157(4) 0.8526(5) 0.2705(3) 0.0407(12) Uani 1 d . . .
C18 C 0.6257(4) 0.7942(5) 0.3244(3) 0.0419(13) Uani 1 d . . .
H18 H 0.6317 0.7062 0.3197 0.050 Uiso 1 calc . . R
C19 C 0.6421(5) 0.7309(6) 0.4782(4) 0.0674(19) Uani 1 d . . .
H19A H 0.7037 0.6848 0.4604 0.101 Uiso 1 calc . . GR
H19B H 0.5796 0.6803 0.4764 0.101 Uiso 1 calc . . GR
H19C H 0.6526 0.7613 0.5393 0.101 Uiso 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
W1 P1 2.4507(14) . ?
W1 C1 2.035(7) . ?
W1 C2 2.040(6) . ?
W1 C3 2.022(6) . ?
W1 C4 2.026(6) . ?
W1 C5 2.055(6) . ?
Cl1 P1 2.068(2) . ?
P1 C10 1.809(5) . ?
P1 C18 1.845(5) . ?
O1 C1 1.144(7) . ?
O2 C2 1.134(7) . ?
O3 C3 1.121(7) . ?
O4 C4 1.139(6) . ?
O5 C5 1.135(6) . ?
O6 C18 1.402(5) . ?
O6 C19 1.399(7) . ?
C6 H6 0.9300 . ?
C6 C7 1.377(8) . ?
C6 C11 1.400(7) . ?
C7 H7 0.9300 . ?
C7 C8 1.372(8) . ?
C8 H8 0.9300 . ?
C8 C9 1.371(7) . ?
C9 H9 0.9300 . ?
C9 C10 1.385(7) . ?
C10 C11 1.403(6) . ?
C11 C12 1.485(7) . ?
C12 C13 1.382(7) . ?
C12 C17 1.409(7) . ?
C13 H13 0.9300 . ?
C13 C14 1.389(9) . ?
C14 H14 0.9300 . ?
C14 C15 1.373(9) . ?
C15 H15 0.9300 . ?
C15 C16 1.363(9) . ?
C16 H16 0.9300 . ?
C16 C17 1.392(7) . ?
C17 C18 1.519(7) . ?
C18 H18 0.9800 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?

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 W1 P1 89.48(18) . . ?
C1 W1 C2 90.2(3) . . ?
C1 W1 C5 90.1(2) . . ?
C2 W1 P1 89.32(18) . . ?
C2 W1 C5 179.7(2) . . ?
C3 W1 P1 178.77(15) . . ?
C3 W1 C1 90.0(2) . . ?
C3 W1 C2 89.6(2) . . ?
C3 W1 C4 89.7(2) . . ?
C3 W1 C5 90.6(2) . . ?
C4 W1 P1 90.87(18) . . ?
C4 W1 C1 179.3(3) . . ?
C4 W1 C2 90.4(2) . . ?
C4 W1 C5 89.4(2) . . ?
C5 W1 P1 90.50(17) . . ?
Cl1 P1 W1 116.21(7) . . ?
C10 P1 W1 117.26(18) . . ?
C10 P1 Cl1 101.56(18) . . ?
C10 P1 C18 96.0(2) . . ?
C18 P1 W1 122.36(18) . . ?
C18 P1 Cl1 99.49(18) . . ?
C19 O6 C18 114.2(4) . . ?
O1 C1 W1 178.9(6) . . ?
O2 C2 W1 178.9(6) . . ?
O3 C3 W1 179.4(6) . . ?
O4 C4 W1 178.5(6) . . ?
O5 C5 W1 177.8(5) . . ?
C7 C6 H6 119.6 . . ?
C7 C6 C11 120.8(5) . . ?
C11 C6 H6 119.6 . . ?
C6 C7 H7 119.3 . . ?
C8 C7 C6 121.4(5) . . ?
C8 C7 H7 119.3 . . ?
C7 C8 H8 120.6 . . ?
C9 C8 C7 118.8(6) . . ?
C9 C8 H8 120.6 . . ?
C8 C9 H9 119.5 . . ?
C8 C9 C10 121.1(5) . . ?
C10 C9 H9 119.5 . . ?
C9 C10 P1 120.3(4) . . ?
C9 C10 C11 120.7(5) . . ?
C11 C10 P1 119.0(4) . . ?
C6 C11 C10 117.1(5) . . ?
C6 C11 C12 121.3(5) . . ?
C10 C11 C12 121.6(4) . . ?
C13 C12 C11 120.8(5) . . ?
C13 C12 C17 117.9(5) . . ?
C17 C12 C11 121.2(4) . . ?
C12 C13 H13 119.6 . . ?
C12 C13 C14 120.8(6) . . ?
C14 C13 H13 119.6 . . ?
C13 C14 H14 119.7 . . ?
C15 C14 C13 120.6(6) . . ?
C15 C14 H14 119.7 . . ?
C14 C15 H15 120.0 . . ?
C16 C15 C14 119.9(6) . . ?
C16 C15 H15 120.0 . . ?
C15 C16 H16 119.8 . . ?
C15 C16 C17 120.3(6) . . ?
C17 C16 H16 119.8 . . ?
C12 C17 C18 119.1(4) . . ?
C16 C17 C12 120.3(5) . . ?
C16 C17 C18 120.6(5) . . ?
P1 C18 H18 109.2 . . ?
O6 C18 P1 110.8(3) . . ?
O6 C18 C17 112.1(4) . . ?
O6 C18 H18 109.2 . . ?
C17 C18 P1 106.2(3) . . ?
C17 C18 H18 109.2 . . ?
O6 C19 H19A 109.5 . . ?
O6 C19 H19B 109.5 . . ?
O6 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
