# 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. 
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data_shelx
_database_code_depnum_ccdc_archive 'CCDC 1052997'
_audit_update_record             
;
2015-03-09 deposited with the CCDC.
2015-04-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C26 H20 Fe N O5 P W'
_chemical_formula_sum            'C26 H20 Fe N O5 P W'
_chemical_formula_weight         697.10

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'
Fe Fe 0.3463 0.8444 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   14.3798(5)
_cell_length_b                   11.4305(4)
_cell_length_c                   15.0127(5)
_cell_angle_alpha                90
_cell_angle_beta                 102.75
_cell_angle_gamma                90
_cell_volume                     2406.79(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9901
_cell_measurement_theta_min      2.30
_cell_measurement_theta_max      28.62

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.924
_exptl_crystal_F_000             1352
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.369
_exptl_crystal_size_mid          0.299
_exptl_crystal_size_min          0.284
_exptl_absorpt_coefficient_mu    5.483
_shelx_estimated_absorpt_T_min   0.237
_shelx_estimated_absorpt_T_max   0.305
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.2427
_exptl_absorpt_correction_T_max  0.3959
_exptl_absorpt_process_details   'SADABS-2014/4 (Sheldrick 2014)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            21180
_diffrn_reflns_av_unetI/netI     0.0116
_diffrn_reflns_av_R_equivalents  0.0129
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.452
_diffrn_reflns_theta_max         28.821
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.934
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.934
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.934
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             5880
_reflns_number_gt                5670
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT-2014 (Sheldrick 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0163P)²+1.7433P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5880
_refine_ls_number_parameters     316
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0153
_refine_ls_R_factor_gt           0.0145
_refine_ls_wR_factor_ref         0.0357
_refine_ls_wR_factor_gt          0.0355
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_restrained_S_all      1.065
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
C1 C 0.12629(15) 0.48377(19) 0.02363(14) 0.0341(4) Uani 1 1 d . . . . .
C2 C 0.08262(13) 0.38149(18) 0.19031(12) 0.0285(4) Uani 1 1 d . . . . .
C3 C 0.27541(15) 0.44758(17) 0.28551(14) 0.0319(4) Uani 1 1 d . . . . .
C4 C 0.30641(15) 0.53878(16) 0.11341(16) 0.0336(4) Uani 1 1 d . . . . .
C5 C 0.14730(14) 0.61379(18) 0.17686(14) 0.0322(4) Uani 1 1 d . . . . .
C6 C 0.28789(13) 0.16295(17) 0.23089(12) 0.0284(4) Uani 1 1 d . . . . .
H6A H 0.3112 0.0854 0.2160 0.034 Uiso 1 1 calc R U . . .
H6B H 0.3406 0.2021 0.2742 0.034 Uiso 1 1 calc R U . . .
C7 C 0.20612(16) 0.1460(2) 0.27597(16) 0.0472(6) Uani 1 1 d . . . . .
H7 H 0.1909 0.2074 0.3129 0.057 Uiso 1 1 calc R U . . .
C8 C 0.1546(2) 0.0514(3) 0.2672(2) 0.0787(12) Uani 1 1 d . . . . .
H8A H 0.1683 -0.0113 0.2307 0.094 Uiso 1 1 calc R U . . .
H8B H 0.1033 0.0451 0.2974 0.094 Uiso 1 1 calc R U . . .
C9 C 0.17204(12) 0.16190(16) 0.04743(12) 0.0244(3) Uani 1 1 d . . . . .
C10 C 0.08872(13) 0.20424(18) -0.00604(13) 0.0307(4) Uani 1 1 d . . . . .
H10 H 0.0644 0.2808 -0.0016 0.037 Uiso 1 1 calc R U . . .
C11 C 0.10012(14) 0.02011(18) -0.05357(13) 0.0304(4) Uani 1 1 d . . . . .
C12 C 0.17991(13) 0.04190(16) 0.01832(13) 0.0269(4) Uani 1 1 d . . . . .
C13 C 0.24505(16) -0.04941(17) 0.04510(16) 0.0373(5) Uani 1 1 d . . . . .
H13 H 0.2988 -0.0389 0.0941 0.045 Uiso 1 1 calc R U . . .
C14 C 0.23003(18) -0.15528(19) -0.00070(18) 0.0450(5) Uani 1 1 d . . . . .
H14 H 0.2744 -0.2171 0.0170 0.054 Uiso 1 1 calc R U . . .
C15 C 0.15082(17) -0.1730(2) -0.07266(17) 0.0434(5) Uani 1 1 d . . . . .
H15 H 0.1426 -0.2464 -0.1031 0.052 Uiso 1 1 calc R U . . .
C16 C 0.08503(16) -0.0863(2) -0.09985(15) 0.0387(5) Uani 1 1 d . . . . .
H16 H 0.0311 -0.0981 -0.1484 0.046 Uiso 1 1 calc R U . . .
C17 C 0.36250(12) 0.23311(15) 0.08029(12) 0.0225(3) Uani 1 1 d . . . . .
C18 C 0.38768(13) 0.30424(17) 0.01068(12) 0.0263(4) Uani 1 1 d . . . . .
H18 H 0.3562 0.3739 -0.0141 0.032 Uiso 1 1 calc R U . . .
C19 C 0.46796(14) 0.25253(19) -0.01489(13) 0.0332(4) Uani 1 1 d . . . . .
H19 H 0.4993 0.2818 -0.0598 0.040 Uiso 1 1 calc R U . . .
C20 C 0.49324(14) 0.15040(18) 0.03768(15) 0.0352(4) Uani 1 1 d . . . . .
H20 H 0.5444 0.0992 0.0344 0.042 Uiso 1 1 calc R U . . .
C21 C 0.42907(13) 0.13759(16) 0.09621(15) 0.0307(4) Uani 1 1 d . . . . .
H21 H 0.4299 0.0761 0.1389 0.037 Uiso 1 1 calc R U . . .
C22 C 0.51403(17) 0.4099(3) 0.22459(19) 0.0595(8) Uani 1 1 d . . . . .
H22 H 0.4630 0.4449 0.2457 0.071 Uiso 1 1 calc R U . . .
C23 C 0.55580(17) 0.4540(2) 0.1564(2) 0.0477(6) Uani 1 1 d . . . . .
H23 H 0.5382 0.5240 0.1227 0.057 Uiso 1 1 calc R U . . .
C24 C 0.62848(14) 0.3770(2) 0.14612(15) 0.0379(5) Uani 1 1 d . . . . .
H24 H 0.6689 0.3863 0.1044 0.045 Uiso 1 1 calc R U . . .
C25 C 0.63179(15) 0.2839(2) 0.20750(17) 0.0455(5) Uani 1 1 d . . . . .
H25 H 0.6742 0.2191 0.2145 0.055 Uiso 1 1 calc R U . . .
C26 C 0.56042(19) 0.3042(3) 0.25717(16) 0.0633(9) Uani 1 1 d . . . . .
H26 H 0.5463 0.2558 0.3039 0.076 Uiso 1 1 calc R U . . .
Fe1 Fe 0.49994(2) 0.29225(2) 0.12144(2) 0.02218(5) Uani 1 1 d . . . . .
N1 N 0.04587(12) 0.12092(16) -0.06631(12) 0.0356(4) Uani 1 1 d . . . . .
H1 H -0.0080 0.1300 -0.1070 0.043 Uiso 1 1 calc R U . . .
O1 O 0.08537(13) 0.5099(2) -0.04800(11) 0.0560(5) Uani 1 1 d . . . . .
O2 O 0.01767(10) 0.34484(15) 0.21194(11) 0.0406(3) Uani 1 1 d . . . . .
O3 O 0.31929(14) 0.44638(16) 0.35857(11) 0.0506(5) Uani 1 1 d . . . . .
O4 O 0.36260(12) 0.59174(15) 0.08740(15) 0.0544(5) Uani 1 1 d . . . . .
O5 O 0.11591(13) 0.70372(15) 0.18598(12) 0.0489(4) Uani 1 1 d . . . . .
P1 P 0.25616(3) 0.25110(4) 0.12529(3) 0.02052(8) Uani 1 1 d . . . . .
W1 W 0.19844(2) 0.45660(2) 0.15324(2) 0.02226(3) 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
C1 O1 1.146(3) . ?
C1 W1 2.017(2) . ?
C2 O2 1.134(2) . ?
C2 W1 2.0566(19) . ?
C3 O3 1.138(3) . ?
C3 W1 2.052(2) . ?
C4 O4 1.145(3) . ?
C4 W1 2.015(2) . ?
C5 O5 1.143(3) . ?
C5 W1 2.002(2) . ?
C6 C7 1.493(3) . ?
C6 P1 1.8487(18) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.300(4) . ?
C7 H7 0.9500 . ?
C8 H8A 0.9500 . ?
C8 H8B 0.9500 . ?
C9 C10 1.375(2) . ?
C9 C12 1.452(3) . ?
C9 P1 1.8014(18) . ?
C10 N1 1.364(3) . ?
C10 H10 0.9500 . ?
C11 N1 1.381(3) . ?
C11 C16 1.393(3) . ?
C11 C12 1.413(3) . ?
C12 C13 1.401(3) . ?
C13 C14 1.385(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.401(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.369(3) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C18 1.432(2) . ?
C17 C21 1.437(2) . ?
C17 P1 1.8147(18) . ?
C17 Fe1 2.0508(17) . ?
C18 C19 1.423(3) . ?
C18 Fe1 2.0506(17) . ?
C18 H18 0.9500 . ?
C19 C20 1.411(3) . ?
C19 Fe1 2.0473(19) . ?
C19 H19 0.9500 . ?
C20 C21 1.415(3) . ?
C20 Fe1 2.0410(19) . ?
C20 H20 0.9500 . ?
C21 Fe1 2.0340(18) . ?
C21 H21 0.9500 . ?
C22 C23 1.391(4) . ?
C22 C26 1.414(5) . ?
C22 Fe1 2.027(2) . ?
C22 H22 0.9500 . ?
C23 C24 1.401(3) . ?
C23 Fe1 2.038(2) . ?
C23 H23 0.9500 . ?
C24 C25 1.401(3) . ?
C24 Fe1 2.0467(19) . ?
C24 H24 0.9500 . ?
C25 C26 1.415(4) . ?
C25 Fe1 2.047(2) . ?
C25 H25 0.9500 . ?
C26 Fe1 2.036(2) . ?
C26 H26 0.9500 . ?
N1 H1 0.8800 . ?
P1 W1 2.5567(5) . ?

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
O1 C1 W1 173.7(2) . . ?
O2 C2 W1 176.95(18) . . ?
O3 C3 W1 177.62(19) . . ?
O4 C4 W1 174.62(18) . . ?
O5 C5 W1 176.68(19) . . ?
C7 C6 P1 112.92(13) . . ?
C7 C6 H6A 109.0 . . ?
P1 C6 H6A 109.0 . . ?
C7 C6 H6B 109.0 . . ?
P1 C6 H6B 109.0 . . ?
H6A C6 H6B 107.8 . . ?
C8 C7 C6 123.4(3) . . ?
C8 C7 H7 118.3 . . ?
C6 C7 H7 118.3 . . ?
C7 C8 H8A 120.0 . . ?
C7 C8 H8B 120.0 . . ?
H8A C8 H8B 120.0 . . ?
C10 C9 C12 105.82(16) . . ?
C10 C9 P1 123.61(15) . . ?
C12 C9 P1 130.12(14) . . ?
N1 C10 C9 110.47(17) . . ?
N1 C10 H10 124.8 . . ?
C9 C10 H10 124.8 . . ?
N1 C11 C16 129.64(19) . . ?
N1 C11 C12 107.30(17) . . ?
C16 C11 C12 123.06(19) . . ?
C13 C12 C11 117.81(18) . . ?
C13 C12 C9 135.18(18) . . ?
C11 C12 C9 107.00(16) . . ?
C14 C13 C12 119.2(2) . . ?
C14 C13 H13 120.4 . . ?
C12 C13 H13 120.4 . . ?
C13 C14 C15 121.4(2) . . ?
C13 C14 H14 119.3 . . ?
C15 C14 H14 119.3 . . ?
C16 C15 C14 121.0(2) . . ?
C16 C15 H15 119.5 . . ?
C14 C15 H15 119.5 . . ?
C15 C16 C11 117.5(2) . . ?
C15 C16 H16 121.2 . . ?
C11 C16 H16 121.2 . . ?
C18 C17 C21 106.64(16) . . ?
C18 C17 P1 125.23(13) . . ?
C21 C17 P1 127.54(14) . . ?
C18 C17 Fe1 69.55(10) . . ?
C21 C17 Fe1 68.78(10) . . ?
P1 C17 Fe1 133.29(10) . . ?
C19 C18 C17 108.17(17) . . ?
C19 C18 Fe1 69.55(11) . . ?
C17 C18 Fe1 69.57(10) . . ?
C19 C18 H18 125.9 . . ?
C17 C18 H18 125.9 . . ?
Fe1 C18 H18 126.5 . . ?
C20 C19 C18 108.47(17) . . ?
C20 C19 Fe1 69.57(12) . . ?
C18 C19 Fe1 69.80(10) . . ?
C20 C19 H19 125.8 . . ?
C18 C19 H19 125.8 . . ?
Fe1 C19 H19 126.4 . . ?
C19 C20 C21 108.07(17) . . ?
C19 C20 Fe1 70.05(11) . . ?
C21 C20 Fe1 69.41(11) . . ?
C19 C20 H20 126.0 . . ?
C21 C20 H20 126.0 . . ?
Fe1 C20 H20 126.2 . . ?
C20 C21 C17 108.65(17) . . ?
C20 C21 Fe1 69.95(11) . . ?
C17 C21 Fe1 70.03(10) . . ?
C20 C21 H21 125.7 . . ?
C17 C21 H21 125.7 . . ?
Fe1 C21 H21 125.9 . . ?
C23 C22 C26 108.5(2) . . ?
C23 C22 Fe1 70.41(13) . . ?
C26 C22 Fe1 69.98(15) . . ?
C23 C22 H22 125.8 . . ?
C26 C22 H22 125.8 . . ?
Fe1 C22 H22 125.4 . . ?
C22 C23 C24 107.8(2) . . ?
C22 C23 Fe1 69.56(14) . . ?
C24 C23 Fe1 70.27(12) . . ?
C22 C23 H23 126.1 . . ?
C24 C23 H23 126.1 . . ?
Fe1 C23 H23 125.7 . . ?
C25 C24 C23 108.8(2) . . ?
C25 C24 Fe1 70.02(12) . . ?
C23 C24 Fe1 69.61(12) . . ?
C25 C24 H24 125.6 . . ?
C23 C24 H24 125.6 . . ?
Fe1 C24 H24 126.4 . . ?
C24 C25 C26 107.4(2) . . ?
C24 C25 Fe1 69.96(12) . . ?
C26 C25 Fe1 69.30(13) . . ?
C24 C25 H25 126.3 . . ?
C26 C25 H25 126.3 . . ?
Fe1 C25 H25 126.0 . . ?
C22 C26 C25 107.4(2) . . ?
C22 C26 Fe1 69.30(13) . . ?
C25 C26 Fe1 70.16(13) . . ?
C22 C26 H26 126.3 . . ?
C25 C26 H26 126.3 . . ?
Fe1 C26 H26 125.8 . . ?
C22 Fe1 C21 132.87(11) . . ?
C22 Fe1 C26 40.72(14) . . ?
C21 Fe1 C26 109.31(11) . . ?
C22 Fe1 C23 40.03(12) . . ?
C21 Fe1 C23 171.63(10) . . ?
C26 Fe1 C23 67.94(13) . . ?
C22 Fe1 C20 168.76(13) . . ?
C21 Fe1 C20 40.64(8) . . ?
C26 Fe1 C20 128.44(13) . . ?
C23 Fe1 C20 147.31(10) . . ?
C22 Fe1 C24 67.28(10) . . ?
C21 Fe1 C24 147.16(8) . . ?
C26 Fe1 C24 67.52(10) . . ?
C23 Fe1 C24 40.12(9) . . ?
C20 Fe1 C24 113.91(9) . . ?
C22 Fe1 C19 150.86(12) . . ?
C21 Fe1 C19 68.18(9) . . ?
C26 Fe1 C19 165.37(12) . . ?
C23 Fe1 C19 116.57(11) . . ?
C20 Fe1 C19 40.38(9) . . ?
C24 Fe1 C19 106.30(8) . . ?
C22 Fe1 C25 68.05(11) . . ?
C21 Fe1 C25 115.67(9) . . ?
C26 Fe1 C25 40.54(11) . . ?
C23 Fe1 C25 67.81(10) . . ?
C20 Fe1 C25 105.25(10) . . ?
C24 Fe1 C25 40.02(10) . . ?
C19 Fe1 C25 126.37(9) . . ?
C22 Fe1 C18 120.22(10) . . ?
C21 Fe1 C18 68.57(8) . . ?
C26 Fe1 C18 153.26(10) . . ?
C23 Fe1 C18 110.06(9) . . ?
C20 Fe1 C18 68.40(8) . . ?
C24 Fe1 C18 129.28(8) . . ?
C19 Fe1 C18 40.64(8) . . ?
C25 Fe1 C18 165.58(9) . . ?
C22 Fe1 C17 112.09(8) . . ?
C21 Fe1 C17 41.19(7) . . ?
C26 Fe1 C17 119.61(9) . . ?
C23 Fe1 C17 132.49(8) . . ?
C20 Fe1 C17 68.97(7) . . ?
C24 Fe1 C17 169.20(8) . . ?
C19 Fe1 C17 68.70(7) . . ?
C25 Fe1 C17 150.62(9) . . ?
C18 Fe1 C17 40.88(7) . . ?
C10 N1 C11 109.40(16) . . ?
C10 N1 H1 125.3 . . ?
C11 N1 H1 125.3 . . ?
C9 P1 C17 101.22(8) . . ?
C9 P1 C6 104.55(9) . . ?
C17 P1 C6 100.88(8) . . ?
C9 P1 W1 115.51(6) . . ?
C17 P1 W1 119.73(6) . . ?
C6 P1 W1 112.81(7) . . ?
C5 W1 C4 88.36(8) . . ?
C5 W1 C1 84.37(8) . . ?
C4 W1 C1 84.71(9) . . ?
C5 W1 C3 90.83(8) . . ?
C4 W1 C3 91.39(9) . . ?
C1 W1 C3 173.89(8) . . ?
C5 W1 C2 88.61(8) . . ?
C4 W1 C2 176.31(7) . . ?
C1 W1 C2 92.89(8) . . ?
C3 W1 C2 90.76(8) . . ?
C5 W1 P1 177.03(6) . . ?
C4 W1 P1 94.61(5) . . ?
C1 W1 P1 95.72(6) . . ?
C3 W1 P1 89.27(5) . . ?
C2 W1 P1 88.42(6) . . ?

_refine_diff_density_max         0.589
_refine_diff_density_min         -0.418
_refine_diff_density_rms         0.061


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: dichloromethane/dichloroethane/pentane'
