# Supplementary Material (ESI) for Dalton Transactions
# This journal is (c) The Royal Society of Chemistry 2011


data_global
_journal_name_full               'Dalton Trans.'

_journal_coden_Cambridge         0222

_publ_contact_author_name        'Stuart, Alison'
_publ_contact_author_email       alison.stuart@le.ac.uk

_publ_section_title              
;
A Recyclable Perfluoroalkylated PCP Pincer Palladium Complex
;
loop_
_publ_author_name
A.Stuart
D.Duncan
E.G.Hope
K.Singh

# Attachment '- DD06067.cif'

data_06067
_database_code_depnum_ccdc_archive 'CCDC 788537'
#TrackingRef '- DD06067.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C32 H27 Cl Ni P2'
_chemical_formula_sum            'C32 H27 Cl Ni P2'
_chemical_formula_weight         567.64

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'
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'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

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

_cell_length_a                   10.146(4)
_cell_length_b                   15.988(7)
_cell_length_c                   16.899(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 105.768(8)
_cell_angle_gamma                90.00
_cell_volume                     2638.0(18)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    938
_cell_measurement_theta_min      2.444
_cell_measurement_theta_max      21.298

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.429
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1176
_exptl_absorpt_coefficient_mu    0.978
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.604
_exptl_absorpt_correction_T_max  0.928
_exptl_absorpt_process_details   
;
absorption correction based on 6638 reflections(SADABS);Rint 0.0730 before
correction and 0.0549 after.
;

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker Apex 2000 CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            20425
_diffrn_reflns_av_R_equivalents  0.0789
_diffrn_reflns_av_sigmaI/netI    0.0804
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.79
_diffrn_reflns_theta_max         26.00
_reflns_number_total             5182
_reflns_number_gt                3865
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0554P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5182
_refine_ls_number_parameters     325
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0865
_refine_ls_R_factor_gt           0.0591
_refine_ls_wR_factor_ref         0.1308
_refine_ls_wR_factor_gt          0.1210
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_restrained_S_all      1.048
_refine_ls_shift/su_max          0.001
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni1 Ni 0.99175(5) 0.29836(3) 0.02651(3) 0.02199(16) Uani 1 1 d . . .
Cl1 Cl 1.13651(11) 0.21828(6) 0.11478(7) 0.0327(3) Uani 1 1 d . . .
P1 P 1.03533(11) 0.25058(6) -0.08386(7) 0.0234(3) Uani 1 1 d . . .
P2 P 0.90658(11) 0.36455(6) 0.11358(6) 0.0232(3) Uani 1 1 d . . .
C1 C 0.8694(4) 0.3703(2) -0.0510(2) 0.0229(9) Uani 1 1 d . . .
C2 C 0.8228(4) 0.4465(2) -0.0253(3) 0.0259(9) Uani 1 1 d . . .
C3 C 0.7421(4) 0.5004(2) -0.0827(3) 0.0314(10) Uani 1 1 d . . .
H3 H 0.7116 0.5514 -0.0648 0.038 Uiso 1 1 calc R . .
C4 C 0.7057(5) 0.4813(3) -0.1649(3) 0.0358(11) Uani 1 1 d . . .
H4 H 0.6526 0.5197 -0.2036 0.043 Uiso 1 1 calc R . .
C5 C 0.7459(4) 0.4061(3) -0.1918(3) 0.0313(10) Uani 1 1 d . . .
H5 H 0.7177 0.3920 -0.2485 0.038 Uiso 1 1 calc R . .
C6 C 0.8274(4) 0.3516(2) -0.1357(3) 0.0249(9) Uani 1 1 d . . .
C7 C 0.8778(4) 0.2702(2) -0.1629(3) 0.0276(10) Uani 1 1 d . . .
H7A H 0.8951 0.2762 -0.2176 0.033 Uiso 1 1 calc R . .
H7B H 0.8109 0.2246 -0.1653 0.033 Uiso 1 1 calc R . .
C8 C 1.1693(4) 0.3092(2) -0.1111(2) 0.0240(9) Uani 1 1 d . . .
C9 C 1.1564(5) 0.3407(3) -0.1889(3) 0.0356(11) Uani 1 1 d . . .
H9 H 1.0728 0.3343 -0.2307 0.043 Uiso 1 1 calc R . .
C10 C 1.2663(6) 0.3817(3) -0.2057(3) 0.0502(14) Uani 1 1 d . . .
H10 H 1.2582 0.4028 -0.2593 0.060 Uiso 1 1 calc R . .
C11 C 1.3880(5) 0.3920(3) -0.1446(4) 0.0480(14) Uani 1 1 d . . .
H11 H 1.4629 0.4201 -0.1564 0.058 Uiso 1 1 calc R . .
C12 C 1.3997(5) 0.3618(3) -0.0675(3) 0.0402(12) Uani 1 1 d . . .
H12 H 1.4828 0.3689 -0.0255 0.048 Uiso 1 1 calc R . .
C13 C 1.2907(4) 0.3209(3) -0.0507(3) 0.0330(11) Uani 1 1 d . . .
H13 H 1.2992 0.3005 0.0033 0.040 Uiso 1 1 calc R . .
C14 C 1.0770(4) 0.1416(2) -0.0957(2) 0.0241(9) Uani 1 1 d . . .
C15 C 0.9802(5) 0.0826(3) -0.0922(3) 0.0395(12) Uani 1 1 d . . .
H15 H 0.8964 0.0995 -0.0822 0.047 Uiso 1 1 calc R . .
C16 C 1.0040(6) -0.0022(3) -0.1032(3) 0.0433(13) Uani 1 1 d . . .
H16 H 0.9359 -0.0426 -0.1020 0.052 Uiso 1 1 calc R . .
C17 C 1.1251(6) -0.0264(3) -0.1156(3) 0.0443(13) Uani 1 1 d . . .
H17 H 1.1414 -0.0840 -0.1232 0.053 Uiso 1 1 calc R . .
C18 C 1.2234(6) 0.0309(3) -0.1173(3) 0.0525(15) Uani 1 1 d . . .
H18 H 1.3085 0.0131 -0.1249 0.063 Uiso 1 1 calc R . .
C19 C 1.1992(5) 0.1159(3) -0.1078(3) 0.0410(12) Uani 1 1 d . . .
H19 H 1.2674 0.1559 -0.1098 0.049 Uiso 1 1 calc R . .
C20 C 0.8635(4) 0.4663(2) 0.0644(2) 0.0257(9) Uani 1 1 d . . .
H20A H 0.7870 0.4926 0.0811 0.031 Uiso 1 1 calc R . .
H20B H 0.9436 0.5043 0.0786 0.031 Uiso 1 1 calc R . .
C21 C 0.9881(4) 0.3822(2) 0.2215(2) 0.0246(9) Uani 1 1 d . . .
C22 C 1.0328(5) 0.4604(3) 0.2525(3) 0.0351(11) Uani 1 1 d . . .
H22 H 1.0231 0.5067 0.2162 0.042 Uiso 1 1 calc R . .
C23 C 1.0914(5) 0.4721(3) 0.3355(3) 0.0440(12) Uani 1 1 d . . .
H23 H 1.1215 0.5263 0.3557 0.053 Uiso 1 1 calc R . .
C24 C 1.1064(5) 0.4060(3) 0.3891(3) 0.0403(12) Uani 1 1 d . . .
H24 H 1.1462 0.4142 0.4463 0.048 Uiso 1 1 calc R . .
C25 C 1.0633(5) 0.3277(3) 0.3592(3) 0.0408(12) Uani 1 1 d . . .
H25 H 1.0730 0.2817 0.3959 0.049 Uiso 1 1 calc R . .
C26 C 1.0064(5) 0.3157(3) 0.2766(3) 0.0342(11) Uani 1 1 d . . .
H26 H 0.9790 0.2611 0.2567 0.041 Uiso 1 1 calc R . .
C27 C 0.7446(4) 0.3196(2) 0.1174(2) 0.0243(9) Uani 1 1 d . . .
C28 C 0.6622(5) 0.3575(3) 0.1605(3) 0.0344(11) Uani 1 1 d . . .
H28 H 0.6905 0.4087 0.1885 0.041 Uiso 1 1 calc R . .
C29 C 0.5397(5) 0.3215(3) 0.1633(3) 0.0403(12) Uani 1 1 d . . .
H29 H 0.4831 0.3488 0.1918 0.048 Uiso 1 1 calc R . .
C30 C 0.4995(5) 0.2457(3) 0.1246(3) 0.0382(12) Uani 1 1 d . . .
H30 H 0.4160 0.2205 0.1272 0.046 Uiso 1 1 calc R . .
C31 C 0.5805(5) 0.2073(3) 0.0826(3) 0.0374(11) Uani 1 1 d . . .
H31 H 0.5527 0.1554 0.0560 0.045 Uiso 1 1 calc R . .
C32 C 0.7027(4) 0.2435(3) 0.0785(3) 0.0290(10) Uani 1 1 d . . .
H32 H 0.7580 0.2163 0.0491 0.035 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ni1 0.0236(3) 0.0165(3) 0.0270(3) 0.0003(2) 0.0089(2) 0.0011(2)
Cl1 0.0350(6) 0.0270(6) 0.0359(6) 0.0073(5) 0.0093(5) 0.0079(4)
P1 0.0255(6) 0.0175(5) 0.0282(6) -0.0006(4) 0.0090(5) 0.0011(4)
P2 0.0254(6) 0.0178(5) 0.0273(6) -0.0001(4) 0.0088(5) 0.0004(4)
C1 0.019(2) 0.018(2) 0.032(2) 0.0014(17) 0.0078(18) -0.0030(16)
C2 0.028(2) 0.022(2) 0.032(2) 0.0019(18) 0.014(2) -0.0013(17)
C3 0.037(3) 0.019(2) 0.040(3) 0.0026(19) 0.014(2) 0.0076(18)
C4 0.040(3) 0.028(2) 0.041(3) 0.009(2) 0.014(2) 0.012(2)
C5 0.030(3) 0.035(3) 0.028(2) 0.000(2) 0.006(2) 0.0009(19)
C6 0.027(2) 0.019(2) 0.031(2) -0.0004(18) 0.0110(19) 0.0006(17)
C7 0.030(3) 0.021(2) 0.031(2) -0.0050(18) 0.006(2) 0.0015(17)
C8 0.028(2) 0.016(2) 0.032(2) -0.0037(17) 0.0145(19) 0.0042(16)
C9 0.046(3) 0.029(2) 0.034(3) -0.006(2) 0.015(2) -0.007(2)
C10 0.077(4) 0.043(3) 0.042(3) 0.000(2) 0.035(3) -0.009(3)
C11 0.049(3) 0.034(3) 0.075(4) -0.004(3) 0.040(3) -0.005(2)
C12 0.030(3) 0.030(3) 0.060(3) 0.001(2) 0.012(2) 0.004(2)
C13 0.027(3) 0.026(2) 0.044(3) 0.007(2) 0.006(2) 0.0045(18)
C14 0.028(2) 0.020(2) 0.024(2) 0.0008(17) 0.0068(18) 0.0037(17)
C15 0.037(3) 0.025(2) 0.061(3) -0.005(2) 0.020(3) -0.001(2)
C16 0.059(4) 0.021(2) 0.052(3) 0.000(2) 0.018(3) -0.006(2)
C17 0.070(4) 0.017(2) 0.049(3) -0.004(2) 0.022(3) 0.007(2)
C18 0.054(4) 0.037(3) 0.076(4) -0.002(3) 0.033(3) 0.017(3)
C19 0.042(3) 0.026(2) 0.061(3) 0.000(2) 0.024(3) 0.000(2)
C20 0.028(2) 0.017(2) 0.035(2) 0.0018(17) 0.014(2) 0.0015(17)
C21 0.024(2) 0.024(2) 0.027(2) -0.0041(17) 0.0082(18) 0.0000(17)
C22 0.043(3) 0.025(2) 0.036(3) -0.002(2) 0.009(2) -0.005(2)
C23 0.049(3) 0.038(3) 0.042(3) -0.012(2) 0.007(2) -0.009(2)
C24 0.035(3) 0.054(3) 0.031(3) -0.005(2) 0.008(2) -0.002(2)
C25 0.042(3) 0.050(3) 0.030(3) 0.005(2) 0.009(2) -0.004(2)
C26 0.042(3) 0.028(2) 0.031(2) 0.0011(19) 0.008(2) -0.001(2)
C27 0.024(2) 0.023(2) 0.027(2) 0.0055(17) 0.0083(18) 0.0016(17)
C28 0.036(3) 0.029(2) 0.042(3) 0.001(2) 0.017(2) 0.005(2)
C29 0.037(3) 0.042(3) 0.048(3) 0.020(2) 0.022(2) 0.015(2)
C30 0.028(3) 0.049(3) 0.037(3) 0.018(2) 0.008(2) -0.001(2)
C31 0.036(3) 0.035(3) 0.038(3) 0.002(2) 0.005(2) -0.011(2)
C32 0.028(2) 0.028(2) 0.031(2) 0.0035(19) 0.009(2) 0.0002(19)

_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
Ni1 C1 1.923(4) . ?
Ni1 P1 2.1693(14) . ?
Ni1 P2 2.1732(13) . ?
Ni1 Cl1 2.1979(13) . ?
P1 C8 1.810(4) . ?
P1 C7 1.810(4) . ?
P1 C14 1.817(4) . ?
P2 C21 1.808(4) . ?
P2 C27 1.812(4) . ?
P2 C20 1.825(4) . ?
C1 C6 1.408(5) . ?
C1 C2 1.417(5) . ?
C2 C3 1.387(6) . ?
C2 C20 1.493(6) . ?
C3 C4 1.372(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.385(6) . ?
C4 H4 0.9500 . ?
C5 C6 1.384(6) . ?
C5 H5 0.9500 . ?
C6 C7 1.515(5) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.381(6) . ?
C8 C13 1.382(6) . ?
C9 C10 1.387(6) . ?
C9 H9 0.9500 . ?
C10 C11 1.387(7) . ?
C10 H10 0.9500 . ?
C11 C12 1.364(7) . ?
C11 H11 0.9500 . ?
C12 C13 1.379(6) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C14 C19 1.374(6) . ?
C14 C15 1.375(6) . ?
C15 C16 1.398(6) . ?
C15 H15 0.9500 . ?
C16 C17 1.358(7) . ?
C16 H16 0.9500 . ?
C17 C18 1.360(7) . ?
C17 H17 0.9500 . ?
C18 C19 1.397(6) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.384(5) . ?
C21 C26 1.392(6) . ?
C22 C23 1.379(6) . ?
C22 H22 0.9500 . ?
C23 C24 1.373(6) . ?
C23 H23 0.9500 . ?
C24 C25 1.376(6) . ?
C24 H24 0.9500 . ?
C25 C26 1.371(6) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 C28 1.388(5) . ?
C27 C32 1.393(5) . ?
C28 C29 1.382(6) . ?
C28 H28 0.9500 . ?
C29 C30 1.385(7) . ?
C29 H29 0.9500 . ?
C30 C31 1.368(6) . ?
C30 H30 0.9500 . ?
C31 C32 1.387(6) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?

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 Ni1 P1 82.50(13) . . ?
C1 Ni1 P2 82.43(13) . . ?
P1 Ni1 P2 164.81(5) . . ?
C1 Ni1 Cl1 178.39(12) . . ?
P1 Ni1 Cl1 97.11(5) . . ?
P2 Ni1 Cl1 98.01(5) . . ?
C8 P1 C7 107.2(2) . . ?
C8 P1 C14 104.77(18) . . ?
C7 P1 C14 105.68(18) . . ?
C8 P1 Ni1 112.26(13) . . ?
C7 P1 Ni1 103.20(14) . . ?
C14 P1 Ni1 122.70(13) . . ?
C21 P2 C27 101.35(19) . . ?
C21 P2 C20 107.90(19) . . ?
C27 P2 C20 105.25(19) . . ?
C21 P2 Ni1 126.99(14) . . ?
C27 P2 Ni1 111.26(14) . . ?
C20 P2 Ni1 102.46(13) . . ?
C6 C1 C2 117.4(4) . . ?
C6 C1 Ni1 121.7(3) . . ?
C2 C1 Ni1 120.8(3) . . ?
C3 C2 C1 120.1(4) . . ?
C3 C2 C20 121.8(4) . . ?
C1 C2 C20 118.1(4) . . ?
C4 C3 C2 121.0(4) . . ?
C4 C3 H3 119.5 . . ?
C2 C3 H3 119.5 . . ?
C3 C4 C5 120.2(4) . . ?
C3 C4 H4 119.9 . . ?
C5 C4 H4 119.9 . . ?
C6 C5 C4 119.8(4) . . ?
C6 C5 H5 120.1 . . ?
C4 C5 H5 120.1 . . ?
C5 C6 C1 121.4(4) . . ?
C5 C6 C7 121.3(4) . . ?
C1 C6 C7 117.2(3) . . ?
C6 C7 P1 103.2(3) . . ?
C6 C7 H7A 111.1 . . ?
P1 C7 H7A 111.1 . . ?
C6 C7 H7B 111.1 . . ?
P1 C7 H7B 111.1 . . ?
H7A C7 H7B 109.1 . . ?
C9 C8 C13 119.3(4) . . ?
C9 C8 P1 123.2(3) . . ?
C13 C8 P1 117.6(3) . . ?
C8 C9 C10 119.5(5) . . ?
C8 C9 H9 120.2 . . ?
C10 C9 H9 120.2 . . ?
C11 C10 C9 120.4(5) . . ?
C11 C10 H10 119.8 . . ?
C9 C10 H10 119.8 . . ?
C12 C11 C10 119.9(5) . . ?
C12 C11 H11 120.1 . . ?
C10 C11 H11 120.1 . . ?
C11 C12 C13 119.8(5) . . ?
C11 C12 H12 120.1 . . ?
C13 C12 H12 120.1 . . ?
C12 C13 C8 121.0(4) . . ?
C12 C13 H13 119.5 . . ?
C8 C13 H13 119.5 . . ?
C19 C14 C15 119.0(4) . . ?
C19 C14 P1 123.4(3) . . ?
C15 C14 P1 117.6(3) . . ?
C14 C15 C16 120.5(4) . . ?
C14 C15 H15 119.7 . . ?
C16 C15 H15 119.7 . . ?
C17 C16 C15 119.6(5) . . ?
C17 C16 H16 120.2 . . ?
C15 C16 H16 120.2 . . ?
C16 C17 C18 120.7(4) . . ?
C16 C17 H17 119.7 . . ?
C18 C17 H17 119.7 . . ?
C17 C18 C19 120.0(5) . . ?
C17 C18 H18 120.0 . . ?
C19 C18 H18 120.0 . . ?
C14 C19 C18 120.1(4) . . ?
C14 C19 H19 119.9 . . ?
C18 C19 H19 119.9 . . ?
C2 C20 P2 103.8(3) . . ?
C2 C20 H20A 111.0 . . ?
P2 C20 H20A 111.0 . . ?
C2 C20 H20B 111.0 . . ?
P2 C20 H20B 111.0 . . ?
H20A C20 H20B 109.0 . . ?
C22 C21 C26 117.7(4) . . ?
C22 C21 P2 122.5(3) . . ?
C26 C21 P2 119.8(3) . . ?
C23 C22 C21 121.0(4) . . ?
C23 C22 H22 119.5 . . ?
C21 C22 H22 119.5 . . ?
C24 C23 C22 120.4(4) . . ?
C24 C23 H23 119.8 . . ?
C22 C23 H23 119.8 . . ?
C23 C24 C25 119.4(4) . . ?
C23 C24 H24 120.3 . . ?
C25 C24 H24 120.3 . . ?
C26 C25 C24 120.4(4) . . ?
C26 C25 H25 119.8 . . ?
C24 C25 H25 119.8 . . ?
C25 C26 C21 121.1(4) . . ?
C25 C26 H26 119.4 . . ?
C21 C26 H26 119.4 . . ?
C28 C27 C32 118.6(4) . . ?
C28 C27 P2 121.8(3) . . ?
C32 C27 P2 119.6(3) . . ?
C29 C28 C27 120.7(4) . . ?
C29 C28 H28 119.6 . . ?
C27 C28 H28 119.6 . . ?
C28 C29 C30 120.0(4) . . ?
C28 C29 H29 120.0 . . ?
C30 C29 H29 120.0 . . ?
C31 C30 C29 119.8(4) . . ?
C31 C30 H30 120.1 . . ?
C29 C30 H30 120.1 . . ?
C30 C31 C32 120.7(4) . . ?
C30 C31 H31 119.7 . . ?
C32 C31 H31 119.7 . . ?
C31 C32 C27 120.2(4) . . ?
C31 C32 H32 119.9 . . ?
C27 C32 H32 119.9 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 Ni1 P1 C8 87.34(18) . . . . ?
P2 Ni1 P1 C8 94.4(2) . . . . ?
Cl1 Ni1 P1 C8 -91.09(15) . . . . ?
C1 Ni1 P1 C7 -27.78(18) . . . . ?
P2 Ni1 P1 C7 -20.7(2) . . . . ?
Cl1 Ni1 P1 C7 153.80(14) . . . . ?
C1 Ni1 P1 C14 -146.5(2) . . . . ?
P2 Ni1 P1 C14 -139.4(2) . . . . ?
Cl1 Ni1 P1 C14 35.08(17) . . . . ?
C1 Ni1 P2 C21 -153.2(2) . . . . ?
P1 Ni1 P2 C21 -160.3(2) . . . . ?
Cl1 Ni1 P2 C21 25.19(17) . . . . ?
C1 Ni1 P2 C27 82.88(18) . . . . ?
P1 Ni1 P2 C27 75.8(2) . . . . ?
Cl1 Ni1 P2 C27 -98.69(14) . . . . ?
C1 Ni1 P2 C20 -29.15(18) . . . . ?
P1 Ni1 P2 C20 -36.2(2) . . . . ?
Cl1 Ni1 P2 C20 149.29(14) . . . . ?
P1 Ni1 C1 C6 17.8(3) . . . . ?
P2 Ni1 C1 C6 -160.3(3) . . . . ?
P1 Ni1 C1 C2 -159.3(3) . . . . ?
P2 Ni1 C1 C2 22.6(3) . . . . ?
C6 C1 C2 C3 -1.6(6) . . . . ?
Ni1 C1 C2 C3 175.6(3) . . . . ?
C6 C1 C2 C20 178.6(3) . . . . ?
Ni1 C1 C2 C20 -4.2(5) . . . . ?
C1 C2 C3 C4 0.1(6) . . . . ?
C20 C2 C3 C4 180.0(4) . . . . ?
C2 C3 C4 C5 1.9(7) . . . . ?
C3 C4 C5 C6 -2.4(7) . . . . ?
C4 C5 C6 C1 0.9(6) . . . . ?
C4 C5 C6 C7 -177.8(4) . . . . ?
C2 C1 C6 C5 1.1(6) . . . . ?
Ni1 C1 C6 C5 -176.1(3) . . . . ?
C2 C1 C6 C7 179.8(3) . . . . ?
Ni1 C1 C6 C7 2.6(5) . . . . ?
C5 C6 C7 P1 152.8(3) . . . . ?
C1 C6 C7 P1 -25.9(4) . . . . ?
C8 P1 C7 C6 -84.1(3) . . . . ?
C14 P1 C7 C6 164.5(3) . . . . ?
Ni1 P1 C7 C6 34.6(3) . . . . ?
C7 P1 C8 C9 -17.0(4) . . . . ?
C14 P1 C8 C9 95.0(4) . . . . ?
Ni1 P1 C8 C9 -129.7(3) . . . . ?
C7 P1 C8 C13 164.3(3) . . . . ?
C14 P1 C8 C13 -83.7(3) . . . . ?
Ni1 P1 C8 C13 51.7(3) . . . . ?
C13 C8 C9 C10 1.5(6) . . . . ?
P1 C8 C9 C10 -177.1(3) . . . . ?
C8 C9 C10 C11 -0.8(7) . . . . ?
C9 C10 C11 C12 -0.1(7) . . . . ?
C10 C11 C12 C13 0.2(7) . . . . ?
C11 C12 C13 C8 0.6(7) . . . . ?
C9 C8 C13 C12 -1.5(6) . . . . ?
P1 C8 C13 C12 177.3(3) . . . . ?
C8 P1 C14 C19 10.5(4) . . . . ?
C7 P1 C14 C19 123.6(4) . . . . ?
Ni1 P1 C14 C19 -118.9(4) . . . . ?
C8 P1 C14 C15 -169.5(3) . . . . ?
C7 P1 C14 C15 -56.4(4) . . . . ?
Ni1 P1 C14 C15 61.1(4) . . . . ?
C19 C14 C15 C16 -1.8(7) . . . . ?
P1 C14 C15 C16 178.2(4) . . . . ?
C14 C15 C16 C17 1.5(7) . . . . ?
C15 C16 C17 C18 0.1(8) . . . . ?
C16 C17 C18 C19 -1.3(8) . . . . ?
C15 C14 C19 C18 0.7(7) . . . . ?
P1 C14 C19 C18 -179.3(4) . . . . ?
C17 C18 C19 C14 0.9(8) . . . . ?
C3 C2 C20 P2 158.8(3) . . . . ?
C1 C2 C20 P2 -21.4(4) . . . . ?
C21 P2 C20 C2 169.4(3) . . . . ?
C27 P2 C20 C2 -83.0(3) . . . . ?
Ni1 P2 C20 C2 33.4(3) . . . . ?
C27 P2 C21 C22 -122.7(4) . . . . ?
C20 P2 C21 C22 -12.4(4) . . . . ?
Ni1 P2 C21 C22 109.4(3) . . . . ?
C27 P2 C21 C26 56.6(4) . . . . ?
C20 P2 C21 C26 166.9(3) . . . . ?
Ni1 P2 C21 C26 -71.2(4) . . . . ?
C26 C21 C22 C23 -1.1(7) . . . . ?
P2 C21 C22 C23 178.2(4) . . . . ?
C21 C22 C23 C24 0.0(7) . . . . ?
C22 C23 C24 C25 0.4(7) . . . . ?
C23 C24 C25 C26 0.3(7) . . . . ?
C24 C25 C26 C21 -1.4(7) . . . . ?
C22 C21 C26 C25 1.8(7) . . . . ?
P2 C21 C26 C25 -177.6(4) . . . . ?
C21 P2 C27 C28 50.9(4) . . . . ?
C20 P2 C27 C28 -61.4(4) . . . . ?
Ni1 P2 C27 C28 -171.6(3) . . . . ?
C21 P2 C27 C32 -126.9(3) . . . . ?
C20 P2 C27 C32 120.8(3) . . . . ?
Ni1 P2 C27 C32 10.5(4) . . . . ?
C32 C27 C28 C29 -1.4(6) . . . . ?
P2 C27 C28 C29 -179.3(3) . . . . ?
C27 C28 C29 C30 1.7(7) . . . . ?
C28 C29 C30 C31 -1.0(7) . . . . ?
C29 C30 C31 C32 0.1(7) . . . . ?
C30 C31 C32 C27 0.1(7) . . . . ?
C28 C27 C32 C31 0.6(6) . . . . ?
P2 C27 C32 C31 178.5(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.881
_refine_diff_density_min         -0.548
_refine_diff_density_rms         0.094