# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_tBuPOCOPNiWp_Noel
_database_code_depnum_ccdc_archive 'CCDC 1518635'
_audit_update_record             
;
2016-11-22 deposited with the CCDC.
2016-12-14 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            tBuPOCOPNiWp_Noel
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H44 Ni O5 P2 W'
_chemical_formula_iupac          ?
_chemical_formula_weight         789.15

_chemical_melting_point          ?

_space_group_crystal_system      triclinic
_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                   8.0617(8)
_cell_length_b                   11.4269(11)
_cell_length_c                   18.1147(15)
_cell_angle_alpha                103.562(3)
_cell_angle_beta                 95.996(3)
_cell_angle_gamma                94.204(3)
_cell_volume                     1605.0(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    6469
_cell_measurement_theta_min      2.4059
_cell_measurement_theta_max      22.4723
_cell_measurement_temperature    200.(2)

_exptl_crystal_description       plate
_exptl_crystal_colour            'translucent light orange'
_exptl_crystal_size_max          0.600
_exptl_crystal_size_mid          0.500
_exptl_crystal_size_min          0.200
_exptl_crystal_density_diffrn    1.633
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             792

_exptl_absorpt_coefficient_mu    4.302
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/5 (Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.41
_exptl_absorpt_correction_T_max  0.48

_exptl_special_details           
;
;

_diffrn_ambient_temperature      200.(2)

_diffrn_source                   ?
_diffrn_source_type              ?

_diffrn_radiation_type           ?
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  ?

_diffrn_measurement_device_type  'Bruker SMART X2S benchtop'
_diffrn_measurement_method       ?

_diffrn_detector_area_resol_mean 8.3330

_diffrn_reflns_number            35657
_diffrn_reflns_av_R_equivalents  0.0763
_diffrn_reflns_av_unetI/netI     0.0644
_diffrn_reflns_theta_min         1.17
_diffrn_reflns_theta_max         27.10
_diffrn_reflns_theta_full        27.10
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measured_fraction_theta_full 0.984
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22

_refine_special_details          
;
;

_reflns_number_total             6986
_reflns_number_gt                5812
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0529
_refine_ls_R_factor_gt           0.0380
_refine_ls_wR_factor_gt          0.0958
_refine_ls_wR_factor_ref         0.1170
_refine_ls_goodness_of_fit_ref   0.796
_refine_ls_restrained_S_all      0.796
_refine_ls_number_reflns         6986
_refine_ls_number_parameters     364
_refine_ls_number_restraints     0
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1000P)²+0.1729P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.537
_refine_diff_density_min         -0.810
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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'
Ni Ni 0.3393 1.1124 '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'

_computing_data_collection       ?
_computing_cell_refinement       'SAINT V8.37A (Bruker AXS Inc.)'
_computing_data_reduction        'SAINT V8.37A (Bruker AXS Inc.)'
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
W W1 0.17286(3) 0.38717(2) 0.18194(2) 0.01990(9) Uani d . . . 1 . .
Ni Ni1 0.53031(8) 0.77663(6) 0.27841(4) 0.01779(16) Uani d . . . 1 . .
P P2 0.64507(17) 0.74457(12) 0.38626(8) 0.0176(3) Uani d . . . 1 . .
P P1 0.46093(17) 0.85541(13) 0.18162(8) 0.0196(3) Uani d . . . 1 . .
O O1 0.5994(5) 0.9741(4) 0.1932(2) 0.0264(9) Uani d . . . 1 . .
O O2 0.7763(5) 0.8659(4) 0.4258(2) 0.0245(9) Uani d . . . 1 . .
O O4 0.1554(7) 0.3697(5) 0.3497(3) 0.0498(14) Uani d . . . 1 . .
O O3 0.3645(6) 0.6404(4) 0.2521(3) 0.0455(13) Uani d . . . 1 . .
O O5 0.5062(6) 0.2661(4) 0.1856(3) 0.0482(13) Uani d . . . 1 . .
C C1 0.6844(7) 0.9172(5) 0.3085(3) 0.0191(11) Uani d . . . 1 . .
C C6 0.7875(7) 0.9452(5) 0.3780(3) 0.0200(11) Uani d . . . 1 . .
C C2 0.6986(7) 0.9995(5) 0.2635(3) 0.0221(12) Uani d . . . 1 . .
C C28 0.2953(7) 0.5381(5) 0.2244(3) 0.0258(13) Uani d . . . 1 . .
C C30 0.1640(8) 0.3735(6) 0.2867(4) 0.0300(14) Uani d . . . 1 . .
C C4 0.9057(8) 1.1275(6) 0.3559(4) 0.0298(14) Uani d . . . 1 . .
H H4 0.9812 1.1991 0.372 0.036 Uiso calc U . R 1 . .
C C5 0.8987(7) 1.0484(5) 0.4027(4) 0.0264(13) Uani d . . . 1 . .
H H5 0.9681 1.0643 0.4504 0.032 Uiso calc U . R 1 . .
C C3 0.8057(8) 1.1059(6) 0.2857(4) 0.0302(14) Uani d . . . 1 . .
H H3 0.8105 1.1616 0.2543 0.036 Uiso calc U . R 1 . .
C C7 0.2596(8) 0.9241(6) 0.1828(4) 0.0304(14) Uani d . . . 1 . .
C C19 0.7870(7) 0.6223(5) 0.3780(3) 0.0263(13) Uani d . . . 1 . .
C C29 0.3812(8) 0.3127(6) 0.1854(4) 0.0315(14) Uani d . . . 1 . .
C C15 0.4992(8) 0.7499(6) 0.4596(3) 0.0273(13) Uani d . . . 1 . .
C C24 0.0599(7) 0.3919(6) 0.0569(4) 0.0314(14) Uani d . . . 1 . .
H H24 0.125 0.4283 0.026 0.038 Uiso calc U . R 1 . .
C C11 0.4952(8) 0.7651(6) 0.0860(4) 0.0316(14) Uani d . . . 1 . .
C C26 -0.0609(8) 0.2523(6) 0.1110(4) 0.0309(14) Uani d . . . 1 . .
H H26 -0.0921 0.1781 0.1234 0.037 Uiso calc U . R 1 . .
C C25 0.0515(7) 0.2697(6) 0.0594(4) 0.0316(14) Uani d . . . 1 . .
H H25 0.1113 0.2095 0.0312 0.038 Uiso calc U . R 1 . .
C C20 0.9171(8) 0.6574(7) 0.3290(4) 0.0396(17) Uani d . . . 1 . .
H H20A 0.9854 0.7319 0.3575 0.059 Uiso calc U . R 1 . .
H H20B 0.8596 0.6705 0.2816 0.059 Uiso calc U . R 1 . .
H H20C 0.9895 0.5921 0.3164 0.059 Uiso calc U . R 1 . .
C C17 0.5873(10) 0.7904(7) 0.5413(4) 0.0439(18) Uani d . . . 1 . .
H H17A 0.5034 0.8053 0.577 0.066 Uiso calc U . R 1 . .
H H17B 0.6608 0.865 0.5471 0.066 Uiso calc U . R 1 . .
H H17C 0.6542 0.727 0.5525 0.066 Uiso calc U . R 1 . .
C C23 -0.0449(8) 0.4517(6) 0.1084(4) 0.0330(15) Uani d . . . 1 . .
H H23 -0.0616 0.5351 0.1188 0.04 Uiso calc U . R 1 . .
C C22 0.8767(9) 0.6155(7) 0.4551(4) 0.0409(17) Uani d . . . 1 . .
H H22A 0.7945 0.592 0.4865 0.061 Uiso calc U . R 1 . .
H H22B 0.9356 0.6948 0.4813 0.061 Uiso calc U . R 1 . .
H H22C 0.9578 0.5553 0.4469 0.061 Uiso calc U . R 1 . .
C C9 0.2826(9) 1.0240(7) 0.2592(4) 0.0462(19) Uani d . . . 1 . .
H H9A 0.1789 1.063 0.265 0.069 Uiso calc U . R 1 . .
H H9B 0.3746 1.0846 0.2585 0.069 Uiso calc U . R 1 . .
H H9C 0.3088 0.9873 0.3023 0.069 Uiso calc U . R 1 . .
C C16 0.3811(8) 0.8439(6) 0.4451(4) 0.0360(15) Uani d . . . 1 . .
H H16A 0.3163 0.8146 0.3943 0.054 Uiso calc U . R 1 . .
H H16B 0.4472 0.9205 0.4475 0.054 Uiso calc U . R 1 . .
H H16C 0.3044 0.8566 0.4842 0.054 Uiso calc U . R 1 . .
C C18 0.3965(9) 0.6268(6) 0.4468(4) 0.0398(16) Uani d . . . 1 . .
H H18A 0.4695 0.568 0.4602 0.06 Uiso calc U . R 1 . .
H H18B 0.3488 0.5989 0.3929 0.06 Uiso calc U . R 1 . .
H H18C 0.3058 0.6348 0.4791 0.06 Uiso calc U . R 1 . .
C C21 0.6891(9) 0.5008(6) 0.3363(4) 0.0441(18) Uani d . . . 1 . .
H H21A 0.7658 0.4375 0.3296 0.066 Uiso calc U . R 1 . .
H H21B 0.6368 0.5063 0.2861 0.066 Uiso calc U . R 1 . .
H H21C 0.602 0.4809 0.3666 0.066 Uiso calc U . R 1 . .
C C13 0.3490(9) 0.6687(6) 0.0536(4) 0.0387(16) Uani d . . . 1 . .
H H13A 0.3759 0.614 0.007 0.058 Uiso calc U . R 1 . .
H H13B 0.2486 0.7073 0.0414 0.058 Uiso calc U . R 1 . .
H H13C 0.3282 0.6224 0.0915 0.058 Uiso calc U . R 1 . .
C C27 -0.1189(7) 0.3649(7) 0.1408(4) 0.0369(16) Uani d . . . 1 . .
H H27 -0.1962 0.3795 0.1773 0.044 Uiso calc U . R 1 . .
C C12 0.5281(11) 0.8426(8) 0.0298(4) 0.055(2) Uani d . . . 1 . .
H H12A 0.5607 0.7918 -0.0169 0.082 Uiso calc U . R 1 . .
H H12B 0.6187 0.9067 0.0532 0.082 Uiso calc U . R 1 . .
H H12C 0.4261 0.8791 0.0169 0.082 Uiso calc U . R 1 . .
C C10 0.1173(8) 0.8309(7) 0.1860(5) 0.051(2) Uani d . . . 1 . .
H H10A 0.0196 0.8723 0.2015 0.077 Uiso calc U . R 1 . .
H H10B 0.1532 0.785 0.2231 0.077 Uiso calc U . R 1 . .
H H10C 0.0873 0.7755 0.1353 0.077 Uiso calc U . R 1 . .
C C14 0.6534(9) 0.7021(8) 0.1024(5) 0.054(2) Uani d . . . 1 . .
H H14A 0.6319 0.6507 0.1374 0.081 Uiso calc U . R 1 . .
H H14B 0.7474 0.7634 0.1258 0.081 Uiso calc U . R 1 . .
H H14C 0.6813 0.6522 0.0543 0.081 Uiso calc U . R 1 . .
C C8 0.2205(10) 0.9836(7) 0.1170(4) 0.050(2) Uani d . . . 1 . .
H H8A 0.1915 0.921 0.0691 0.075 Uiso calc U . R 1 . .
H H8B 0.3189 1.0363 0.1129 0.075 Uiso calc U . R 1 . .
H H8C 0.1258 1.0318 0.1265 0.075 Uiso calc U . R 1 . .


_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_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
W1 C28 . 1.873(6) ?
W1 C29 . 1.940(6) ?
W1 C30 . 1.949(7) ?
W1 C23 . 2.358(6) ?
W1 C24 . 2.365(6) ?
W1 C27 . 2.368(6) ?
W1 C25 . 2.375(6) ?
W1 C26 . 2.392(6) ?
Ni1 C1 . 1.891(5) ?
Ni1 O3 . 1.911(4) ?
Ni1 P1 . 2.1924(16) ?
Ni1 P2 . 2.1943(15) ?
P2 O2 . 1.648(4) ?
P2 C15 . 1.858(6) ?
P2 C19 . 1.859(6) ?
P1 O1 . 1.651(4) ?
P1 C7 . 1.854(6) ?
P1 C11 . 1.856(6) ?
O1 C2 . 1.387(7) ?
O2 C6 . 1.398(7) ?
O4 C30 . 1.162(8) ?
O3 C28 . 1.225(7) ?
O5 C29 . 1.173(7) ?
C1 C2 . 1.388(8) ?
C1 C6 . 1.389(8) ?
C6 C5 . 1.382(8) ?
C2 C3 . 1.389(8) ?
C4 C5 . 1.379(8) ?
C4 C3 . 1.391(9) ?
C4 H4 . 0.95 ?
C5 H5 . 0.95 ?
C3 H3 . 0.95 ?
C7 C8 . 1.523(10) ?
C7 C10 . 1.523(10) ?
C7 C9 . 1.558(10) ?
C19 C22 . 1.525(8) ?
C19 C21 . 1.531(9) ?
C19 C20 . 1.533(9) ?
C15 C17 . 1.523(9) ?
C15 C18 . 1.535(9) ?
C15 C16 . 1.536(9) ?
C24 C25 . 1.404(9) ?
C24 C23 . 1.413(9) ?
C24 H24 . 0.95 ?
C11 C13 . 1.520(9) ?
C11 C12 . 1.529(10) ?
C11 C14 . 1.546(9) ?
C26 C25 . 1.404(9) ?
C26 C27 . 1.408(9) ?
C26 H26 . 0.95 ?
C25 H25 . 0.95 ?
C20 H20A . 0.98 ?
C20 H20B . 0.98 ?
C20 H20C . 0.98 ?
C17 H17A . 0.98 ?
C17 H17B . 0.98 ?
C17 H17C . 0.98 ?
C23 C27 . 1.394(10) ?
C23 H23 . 0.95 ?
C22 H22A . 0.98 ?
C22 H22B . 0.98 ?
C22 H22C . 0.98 ?
C9 H9A . 0.98 ?
C9 H9B . 0.98 ?
C9 H9C . 0.98 ?
C16 H16A . 0.98 ?
C16 H16B . 0.98 ?
C16 H16C . 0.98 ?
C18 H18A . 0.98 ?
C18 H18B . 0.98 ?
C18 H18C . 0.98 ?
C21 H21A . 0.98 ?
C21 H21B . 0.98 ?
C21 H21C . 0.98 ?
C13 H13A . 0.98 ?
C13 H13B . 0.98 ?
C13 H13C . 0.98 ?
C27 H27 . 0.95 ?
C12 H12A . 0.98 ?
C12 H12B . 0.98 ?
C12 H12C . 0.98 ?
C10 H10A . 0.98 ?
C10 H10B . 0.98 ?
C10 H10C . 0.98 ?
C14 H14A . 0.98 ?
C14 H14B . 0.98 ?
C14 H14C . 0.98 ?
C8 H8A . 0.98 ?
C8 H8B . 0.98 ?
C8 H8C . 0.98 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C28 W1 C29 . . 88.8(3) ?
C28 W1 C30 . . 86.7(3) ?
C29 W1 C30 . . 87.0(3) ?
C28 W1 C23 . . 98.3(2) ?
C29 W1 C23 . . 148.3(3) ?
C30 W1 C23 . . 124.1(3) ?
C28 W1 C24 . . 106.0(2) ?
C29 W1 C24 . . 113.5(3) ?
C30 W1 C24 . . 155.5(2) ?
C23 W1 C24 . . 34.8(2) ?
C28 W1 C27 . . 122.8(3) ?
C29 W1 C27 . . 148.0(3) ?
C30 W1 C27 . . 98.6(2) ?
C23 W1 C27 . . 34.3(2) ?
C24 W1 C27 . . 57.0(2) ?
C28 W1 C25 . . 138.2(2) ?
C29 W1 C25 . . 97.0(2) ?
C30 W1 C25 . . 134.8(2) ?
C23 W1 C25 . . 57.8(2) ?
C24 W1 C25 . . 34.5(2) ?
C27 W1 C25 . . 57.1(2) ?
C28 W1 C26 . . 155.5(2) ?
C29 W1 C26 . . 113.6(2) ?
C30 W1 C26 . . 103.5(2) ?
C23 W1 C26 . . 57.5(2) ?
C24 W1 C26 . . 57.0(2) ?
C27 W1 C26 . . 34.4(2) ?
C25 W1 C26 . . 34.3(2) ?
C1 Ni1 O3 . . 176.2(2) ?
C1 Ni1 P1 . . 81.92(17) ?
O3 Ni1 P1 . . 98.32(15) ?
C1 Ni1 P2 . . 82.30(17) ?
O3 Ni1 P2 . . 97.35(15) ?
P1 Ni1 P2 . . 164.17(6) ?
O2 P2 C15 . . 101.2(2) ?
O2 P2 C19 . . 101.8(2) ?
C15 P2 C19 . . 115.6(3) ?
O2 P2 Ni1 . . 105.18(15) ?
C15 P2 Ni1 . . 113.8(2) ?
C19 P2 Ni1 . . 116.4(2) ?
O1 P1 C7 . . 102.4(3) ?
O1 P1 C11 . . 101.3(3) ?
C7 P1 C11 . . 114.1(3) ?
O1 P1 Ni1 . . 105.07(15) ?
C7 P1 Ni1 . . 115.3(2) ?
C11 P1 Ni1 . . 116.0(2) ?
C2 O1 P1 . . 112.2(3) ?
C6 O2 P2 . . 112.2(3) ?
C28 O3 Ni1 . . 161.2(5) ?
C2 C1 C6 . . 116.2(5) ?
C2 C1 Ni1 . . 122.1(4) ?
C6 C1 Ni1 . . 121.7(4) ?
C5 C6 C1 . . 123.4(5) ?
C5 C6 O2 . . 118.3(5) ?
C1 C6 O2 . . 118.3(5) ?
O1 C2 C1 . . 118.0(5) ?
O1 C2 C3 . . 118.7(5) ?
C1 C2 C3 . . 123.2(5) ?
O3 C28 W1 . . 175.4(5) ?
O4 C30 W1 . . 177.2(6) ?
C5 C4 C3 . . 122.1(6) ?
C5 C4 H4 . . 118.9 ?
C3 C4 H4 . . 118.9 ?
C4 C5 C6 . . 117.8(5) ?
C4 C5 H5 . . 121.1 ?
C6 C5 H5 . . 121.1 ?
C2 C3 C4 . . 117.3(6) ?
C2 C3 H3 . . 121.4 ?
C4 C3 H3 . . 121.4 ?
C8 C7 C10 . . 111.4(6) ?
C8 C7 C9 . . 108.4(6) ?
C10 C7 C9 . . 108.3(7) ?
C8 C7 P1 . . 113.7(5) ?
C10 C7 P1 . . 110.2(5) ?
C9 C7 P1 . . 104.5(4) ?
C22 C19 C21 . . 111.0(6) ?
C22 C19 C20 . . 109.0(5) ?
C21 C19 C20 . . 109.7(5) ?
C22 C19 P2 . . 113.0(5) ?
C21 C19 P2 . . 109.9(4) ?
C20 C19 P2 . . 104.1(4) ?
O5 C29 W1 . . 178.3(6) ?
C17 C15 C18 . . 110.6(6) ?
C17 C15 C16 . . 109.2(6) ?
C18 C15 C16 . . 109.1(5) ?
C17 C15 P2 . . 113.2(5) ?
C18 C15 P2 . . 110.3(4) ?
C16 C15 P2 . . 104.3(4) ?
C25 C24 C23 . . 108.5(6) ?
C25 C24 W1 . . 73.2(4) ?
C23 C24 W1 . . 72.3(3) ?
C25 C24 H24 . . 125.8 ?
C23 C24 H24 . . 125.8 ?
W1 C24 H24 . . 120.5 ?
C13 C11 C12 . . 111.3(6) ?
C13 C11 C14 . . 108.6(6) ?
C12 C11 C14 . . 109.2(6) ?
C13 C11 P1 . . 110.2(5) ?
C12 C11 P1 . . 113.2(5) ?
C14 C11 P1 . . 104.0(4) ?
C25 C26 C27 . . 107.4(6) ?
C25 C26 W1 . . 72.2(3) ?
C27 C26 W1 . . 71.9(3) ?
C25 C26 H26 . . 126.3 ?
C27 C26 H26 . . 126.3 ?
W1 C26 H26 . . 121.3 ?
C24 C25 C26 . . 107.9(6) ?
C24 C25 W1 . . 72.4(4) ?
C26 C25 W1 . . 73.5(3) ?
C24 C25 H25 . . 126.0 ?
C26 C25 H25 . . 126.0 ?
W1 C25 H25 . . 119.9 ?
C19 C20 H20A . . 109.5 ?
C19 C20 H20B . . 109.5 ?
H20A C20 H20B . . 109.5 ?
C19 C20 H20C . . 109.5 ?
H20A C20 H20C . . 109.5 ?
H20B C20 H20C . . 109.5 ?
C15 C17 H17A . . 109.5 ?
C15 C17 H17B . . 109.5 ?
H17A C17 H17B . . 109.5 ?
C15 C17 H17C . . 109.5 ?
H17A C17 H17C . . 109.5 ?
H17B C17 H17C . . 109.5 ?
C27 C23 C24 . . 107.0(6) ?
C27 C23 W1 . . 73.2(4) ?
C24 C23 W1 . . 72.8(4) ?
C27 C23 H23 . . 126.5 ?
C24 C23 H23 . . 126.5 ?
W1 C23 H23 . . 119.4 ?
C19 C22 H22A . . 109.5 ?
C19 C22 H22B . . 109.5 ?
H22A C22 H22B . . 109.5 ?
C19 C22 H22C . . 109.5 ?
H22A C22 H22C . . 109.5 ?
H22B C22 H22C . . 109.5 ?
C7 C9 H9A . . 109.5 ?
C7 C9 H9B . . 109.5 ?
H9A C9 H9B . . 109.5 ?
C7 C9 H9C . . 109.5 ?
H9A C9 H9C . . 109.5 ?
H9B C9 H9C . . 109.5 ?
C15 C16 H16A . . 109.5 ?
C15 C16 H16B . . 109.5 ?
H16A C16 H16B . . 109.5 ?
C15 C16 H16C . . 109.5 ?
H16A C16 H16C . . 109.5 ?
H16B C16 H16C . . 109.5 ?
C15 C18 H18A . . 109.5 ?
C15 C18 H18B . . 109.5 ?
H18A C18 H18B . . 109.5 ?
C15 C18 H18C . . 109.5 ?
H18A C18 H18C . . 109.5 ?
H18B C18 H18C . . 109.5 ?
C19 C21 H21A . . 109.5 ?
C19 C21 H21B . . 109.5 ?
H21A C21 H21B . . 109.5 ?
C19 C21 H21C . . 109.5 ?
H21A C21 H21C . . 109.5 ?
H21B C21 H21C . . 109.5 ?
C11 C13 H13A . . 109.5 ?
C11 C13 H13B . . 109.5 ?
H13A C13 H13B . . 109.5 ?
C11 C13 H13C . . 109.5 ?
H13A C13 H13C . . 109.5 ?
H13B C13 H13C . . 109.5 ?
C23 C27 C26 . . 109.2(6) ?
C23 C27 W1 . . 72.4(3) ?
C26 C27 W1 . . 73.7(3) ?
C23 C27 H27 . . 125.4 ?
C26 C27 H27 . . 125.4 ?
W1 C27 H27 . . 120.2 ?
C11 C12 H12A . . 109.5 ?
C11 C12 H12B . . 109.5 ?
H12A C12 H12B . . 109.5 ?
C11 C12 H12C . . 109.5 ?
H12A C12 H12C . . 109.5 ?
H12B C12 H12C . . 109.5 ?
C7 C10 H10A . . 109.5 ?
C7 C10 H10B . . 109.5 ?
H10A C10 H10B . . 109.5 ?
C7 C10 H10C . . 109.5 ?
H10A C10 H10C . . 109.5 ?
H10B C10 H10C . . 109.5 ?
C11 C14 H14A . . 109.5 ?
C11 C14 H14B . . 109.5 ?
H14A C14 H14B . . 109.5 ?
C11 C14 H14C . . 109.5 ?
H14A C14 H14C . . 109.5 ?
H14B C14 H14C . . 109.5 ?
C7 C8 H8A . . 109.5 ?
C7 C8 H8B . . 109.5 ?
H8A C8 H8B . . 109.5 ?
C7 C8 H8C . . 109.5 ?
H8A C8 H8C . . 109.5 ?
H8B C8 H8C . . 109.5 ?

