# Supplementary Material (ESI) for Dalton Transactions # This journal is © The Royal Society of Chemistry 2000 # CCDC Number: 186/1977 data_shelxl _audit_creation_method SHELXL-97 _chemical_formula_sum 'C22 H30 Cl2 F8 N2 Ni2 P2' _chemical_formula_weight 724.74 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' 'F' 'F' 0.0171 0.0103 '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' '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 P21/a loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z' '-x, -y, -z' 'x-1/2, -y-1/2, z' _cell_length_a 13.519(3) _cell_length_b 14.205(7) _cell_length_c 15.858(3) _cell_angle_alpha 90.00 _cell_angle_beta 101.188(17) _cell_angle_gamma 90.00 _cell_volume 2987.4(17) _cell_formula_units_Z 4 _cell_measurement_temperature 150(2) _cell_measurement_reflns_used 20 _cell_measurement_theta_min 16.92 _cell_measurement_theta_max 18.96 _exptl_crystal_description 'lathe' _exptl_crystal_colour 'orange' _exptl_crystal_size_max 0.60 _exptl_crystal_size_mid 0.25 _exptl_crystal_size_min 0.20 _exptl_crystal_density_diffrn 1.611 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1472 _exptl_absorpt_coefficient_mu 1.612 _exptl_absorpt_correction_type psi-scan _exptl_absorpt_correction_T_min 0.752 _exptl_absorpt_correction_T_max 0.998 _exptl_absorpt_process_details '(North, Philips and Mathews, 1968)' _exptl_special_details ; ? ; _publ_requested_journal 'JCS DALTON' _diffrn_ambient_temperature 150(2) _diffrn_radiation_wavelength 0.71069 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type Rigaku-AFC6S _diffrn_measurement_method \w--2\q _diffrn_standards_number 3 _diffrn_standards_interval_count 150 _diffrn_standards_decay_% 2.388 _diffrn_reflns_number 5492 _diffrn_reflns_av_R_equivalents 0.042 _diffrn_reflns_av_sigmaI/netI 0.066 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_limit_l_max 18 _diffrn_reflns_theta_min 1.94 _diffrn_reflns_theta_max 24.99 _reflns_number_total 5249 _reflns_number_gt 3203 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'MSC/AFC Diffractometer Control' _computing_cell_refinement 'MSC/AFC Diffractometer Control' _computing_data_reduction 'teXsan (MSC, 1992-1997)' _computing_structure_solution 'SIR-92' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'ORTEP II (Johnson, 1976)' _computing_publication_material 'SHELXL 97 (Sheldrick, 1997)' _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^)+(0.0559P)^2^+1.3025P] 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_number_reflns 5249 _refine_ls_number_parameters 343 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0963 _refine_ls_R_factor_gt 0.0379 _refine_ls_wR_factor_ref 0.1145 _refine_ls_wR_factor_gt 0.0915 _refine_ls_goodness_of_fit_ref 0.999 _refine_ls_restrained_S_all 0.999 _refine_ls_shift/su_max 0.011 _refine_ls_shift/su_mean 0.001 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 0.74021(4) 0.40188(4) 0.22088(3) 0.01798(15) Uani 1 1 d . . . Ni2 Ni 0.74149(4) 0.60364(4) 0.24415(4) 0.02289(16) Uani 1 1 d . . . Cl1 Cl 0.67018(9) 0.33839(9) 0.32224(7) 0.0255(3) Uani 1 1 d . . . Cl2 Cl 0.89209(9) 0.64504(10) 0.31369(8) 0.0341(3) Uani 1 1 d . . . P1 P 0.88268(9) 0.33699(9) 0.27846(7) 0.0197(3) Uani 1 1 d . . . P2 P 0.68019(10) 0.64278(10) 0.35592(9) 0.0304(3) Uani 1 1 d . . . F1 F 0.5336(2) 0.7068(2) 0.1527(2) 0.0425(8) Uani 1 1 d . . . F2 F 0.3708(2) 0.6194(2) 0.0541(2) 0.0459(9) Uani 1 1 d . . . F3 F 0.3732(2) 0.4302(2) 0.03156(18) 0.0354(7) Uani 1 1 d . . . F4 F 0.5397(2) 0.33244(19) 0.10990(18) 0.0311(7) Uani 1 1 d . . . F5 F 0.8303(2) 0.3346(2) 0.05268(18) 0.0364(7) Uani 1 1 d . . . F6 F 0.8973(3) 0.4499(3) -0.05938(19) 0.0546(10) Uani 1 1 d . . . F7 F 0.8993(3) 0.6398(3) -0.0342(2) 0.0588(11) Uani 1 1 d . . . F8 F 0.8236(3) 0.7072(2) 0.1024(2) 0.0473(9) Uani 1 1 d . . . N1 N 0.6141(3) 0.4658(3) 0.1692(2) 0.0214(9) Uani 1 1 d . . . N2 N 0.7965(3) 0.5596(3) 0.1459(2) 0.0229(9) Uani 1 1 d . . . C1 C 0.6168(3) 0.5606(3) 0.1833(3) 0.0221(10) Uani 1 1 d . . . C2 C 0.5332(4) 0.6131(4) 0.1434(3) 0.0288(11) Uani 1 1 d . . . C3 C 0.4508(4) 0.5699(4) 0.0942(3) 0.0282(12) Uani 1 1 d . . . C4 C 0.4511(4) 0.4734(4) 0.0833(3) 0.0284(12) Uani 1 1 d . . . C5 C 0.5350(3) 0.4249(3) 0.1217(3) 0.0228(11) Uani 1 1 d . . . C6 C 0.7978(3) 0.4638(3) 0.1370(3) 0.0216(10) Uani 1 1 d . . . C7 C 0.8310(4) 0.4283(4) 0.0667(3) 0.0273(12) Uani 1 1 d . . . C8 C 0.8659(4) 0.4856(4) 0.0093(3) 0.0348(14) Uani 1 1 d . . . C9 C 0.8667(4) 0.5815(5) 0.0214(3) 0.0370(15) Uani 1 1 d . . . C10 C 0.8302(4) 0.6151(4) 0.0902(3) 0.0326(13) Uani 1 1 d . . . C11 C 0.9211(4) 0.3717(4) 0.3905(3) 0.0285(12) Uani 1 1 d . . . H11A H 0.9370 0.4398 0.3927 0.034 Uiso 1 1 calc R . . H11B H 0.8634 0.3623 0.4197 0.034 Uiso 1 1 calc R . . C12 C 1.0130(4) 0.3180(5) 0.4411(3) 0.0409(15) Uani 1 1 d . . . H12A H 1.0284 0.3411 0.5005 0.061 Uiso 1 1 calc R . . H12B H 1.0713 0.3282 0.4140 0.061 Uiso 1 1 calc R . . H12C H 0.9976 0.2506 0.4411 0.061 Uiso 1 1 calc R . . C13 C 0.9968(3) 0.3532(3) 0.2327(3) 0.0237(10) Uani 1 1 d . . . H13A H 1.0484 0.3073 0.2600 0.028 Uiso 1 1 calc R . . H13B H 0.9801 0.3384 0.1706 0.028 Uiso 1 1 calc R . . C14 C 1.0421(4) 0.4514(4) 0.2439(3) 0.0341(13) Uani 1 1 d . . . H14A H 1.1022 0.4540 0.2180 0.051 Uiso 1 1 calc R . . H14B H 1.0609 0.4662 0.3053 0.051 Uiso 1 1 calc R . . H14C H 0.9924 0.4974 0.2157 0.051 Uiso 1 1 calc R . . C15 C 0.8677(4) 0.2088(3) 0.2804(3) 0.0313(12) Uani 1 1 d . . . H15A H 0.9353 0.1793 0.2911 0.038 Uiso 1 1 calc R . . H15B H 0.8346 0.1919 0.3288 0.038 Uiso 1 1 calc R . . C16 C 0.8060(4) 0.1686(4) 0.1977(4) 0.0393(14) Uani 1 1 d . . . H16A H 0.8009 0.1001 0.2031 0.059 Uiso 1 1 calc R . . H16B H 0.8390 0.1835 0.1495 0.059 Uiso 1 1 calc R . . H16C H 0.7382 0.1962 0.1873 0.059 Uiso 1 1 calc R . . C17 C 0.7157(5) 0.7638(4) 0.3893(4) 0.0488(16) Uani 1 1 d . . . H17A H 0.6810 0.7821 0.4363 0.059 Uiso 1 1 calc R . . H17B H 0.7892 0.7664 0.4118 0.059 Uiso 1 1 calc R . . C18 C 0.6885(5) 0.8340(4) 0.3156(5) 0.069(2) Uani 1 1 d . . . H18A H 0.7089 0.8974 0.3364 0.104 Uiso 1 1 calc R . . H18B H 0.6156 0.8327 0.2939 0.104 Uiso 1 1 calc R . . H18C H 0.7237 0.8169 0.2692 0.104 Uiso 1 1 calc R . . C19 C 0.7336(4) 0.5671(4) 0.4463(3) 0.0355(13) Uani 1 1 d . . . H19A H 0.7097 0.5020 0.4327 0.043 Uiso 1 1 calc R . . H19B H 0.8079 0.5669 0.4523 0.043 Uiso 1 1 calc R . . C20 C 0.7080(4) 0.5950(5) 0.5331(4) 0.0495(16) Uani 1 1 d . . . H20A H 0.7395 0.5504 0.5774 0.074 Uiso 1 1 calc R . . H20B H 0.6347 0.5938 0.5287 0.074 Uiso 1 1 calc R . . H20C H 0.7333 0.6585 0.5485 0.074 Uiso 1 1 calc R . . C21 C 0.5442(4) 0.6405(4) 0.3536(4) 0.0419(14) Uani 1 1 d . . . H21A H 0.5311 0.6741 0.4050 0.050 Uiso 1 1 calc R . . H21B H 0.5101 0.6762 0.3025 0.050 Uiso 1 1 calc R . . C22 C 0.4953(4) 0.5420(4) 0.3511(4) 0.0459(15) Uani 1 1 d . . . H22A H 0.4229 0.5487 0.3500 0.069 Uiso 1 1 calc R . . H22B H 0.5265 0.5064 0.4023 0.069 Uiso 1 1 calc R . . H22C H 0.5054 0.5084 0.2995 0.069 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 0.0145(3) 0.0200(3) 0.0187(3) 0.0008(2) 0..0014(2) -0.0005(3) Ni2 0.0164(3) 0.0212(3) 0.0288(4) -0.0021(3) -0.0011(2) -0.0016(3) Cl1 0.0212(6) 0.0296(7) 0.0262(6) 0.0031(5) 0.0054(5) -0.0049(5) Cl2 0.0217(6) 0.0398(8) 0.0379(7) -0.0096(6) -0.0012(5) -0.0092(6) P1 0.0166(6) 0.0218(7) 0.0202(6) 0.0012(5) 0.0017(4) 0.0018(5) P2 0.0242(7) 0.0271(7) 0.0392(8) -0.0112(6) 0.0044(6) 0.0002(6) F1 0.0327(18) 0.0225(16) 0.065(2) -0.0006(15) -0.0088(15) 0.0051(14) F2 0.0278(17) 0.044(2) 0.058(2) -0.0013(16) -0.0123(15) 0.0162(15) F3 0.0203(15) 0.0441(19) 0.0359(17) 0.0001(14) -0.0086(12) -0.0046(14) F4 0.0306(16) 0.0230(16) 0.0365(16) -0.0029(13) -0.0016(13) -0.0025(13) F5 0.0366(18) 0.0403(19) 0.0307(16) -0.0075(14) 0.0028(13) 0.0109(15) F6 0.044(2) 0.094(3) 0.0290(18) 0.0072(18) 0.0165(15) 0.010(2) F7 0.044(2) 0.084(3) 0.049(2) 0.034(2) 0.0092(16) -0.011(2) F8 0.047(2) 0.0323(19) 0.059(2) 0.0176(16) 0.0022(16) -0.0114(16) N1 0.014(2) 0.025(2) 0.024(2) 0.0021(17) 0.0013(15) -0.0035(17) N2 0.016(2) 0.026(2) 0.024(2) 0.0051(17) -0.0012(16) -0.0024(17) C1 0.022(3) 0.021(3) 0.023(2) 0.0031(19) 0.0041(19) 0.002(2) C2 0.024(3) 0.028(3) 0.033(3) -0.001(2) 0.003(2) 0.005(2) C3 0.018(3) 0.030(3) 0.033(3) 0.004(2) -0.003(2) 0.004(2) C4 0.021(3) 0.036(3) 0.027(3) -0.004(2) 0.001(2) -0.003(2) C5 0.019(2) 0.024(3) 0.025(3) 0.003(2) 0.0028(19) -0.002(2) C6 0.013(2) 0.028(3) 0.021(2) 0.004(2) -0.0021(18) 0.002(2) C7 0.019(2) 0.044(3) 0.016(2) 0.002(2) -0.0024(19) 0.006(2) C8 0.018(2) 0.067(5) 0.020(3) 0.008(3) 0.007(2) 0.004(3) C9 0.022(3) 0.060(4) 0.028(3) 0.022(3) 0.003(2) -0.008(3) C10 0.024(3) 0.038(3) 0.032(3) 0.015(2) -0.004(2) -0.011(2) C11 0.027(3) 0.035(3) 0.023(3) 0.001(2) 0.001(2) 0.000(2) C12 0.030(3) 0.069(4) 0.020(3) 0.003(3) -0.005(2) 0.004(3) C13 0.019(2) 0.027(3) 0.025(2) 0.005(2) 0.0025(18) 0.005(2) C14 0.022(3) 0.039(3) 0.041(3) -0.002(3) 0.006(2) -0.002(2) C15 0.033(3) 0.022(3) 0.038(3) 0.001(2) 0.004(2) 0.002(2) C16 0.045(4) 0.025(3) 0.047(3) -0.009(3) 0.008(3) -0.003(3) C17 0.043(4) 0.030(3) 0.073(4) -0.023(3) 0.008(3) -0.006(3) C18 0.047(4) 0.029(4) 0.126(7) -0.006(4) 0.004(4) -0.001(3) C19 0.033(3) 0.043(3) 0.029(3) -0.008(2) 0.003(2) -0.001(3) C20 0.039(3) 0.072(5) 0.039(3) -0.013(3) 0.012(3) -0.009(3) C21 0.031(3) 0.044(4) 0.051(4) -0.013(3) 0.007(3) 0.004(3) C22 0.027(3) 0.052(4) 0.062(4) -0.012(3) 0.015(3) -0.004(3) _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 C6 1.884(5) . ? Ni1 N1 1.965(4) . ? Ni1 P1 2.1704(14) . ? Ni1 Cl1 2.2100(13) . ? Ni1 Ni2 2.8892(17) . ? Ni2 C1 1.875(5) . ? Ni2 N2 1.955(4) . ? Ni2 P2 2.1697(16) . ? Ni2 Cl2 2.1991(14) . ? P1 C11 1.820(5) . ? P1 C15 1.833(5) . ? P1 C13 1.842(5) . ? P2 C19 1.825(5) . ? P2 C21 1.832(6) . ? P2 C17 1.835(6) . ? F1 C2 1.339(6) . ? F2 C3 1.342(5) . ? F3 C4 1.350(5) . ? F4 C5 1.330(5) . ? F5 C7 1.350(6) . ? F6 C8 1.342(6) . ? F7 C9 1.344(6) . ? F8 C10 1.328(6) . ? N1 C5 1.317(6) . ? N1 C1 1.364(6) . ? N2 C10 1.329(6) . ? N2 C6 1.369(6) . ? C1 C2 1.400(6) . ? C2 C3 1.374(7) . ? C3 C4 1.381(7) . ? C4 C5 1.365(6) . ? C6 C7 1.375(7) . ? C7 C8 1.372(7) . ? C8 C9 1.376(8) . ? C9 C10 1.368(8) . ? C11 C12 1.543(7) . ? C13 C14 1.521(7) . ? C15 C16 1.522(7) . ? C17 C18 1.525(9) . ? C19 C20 1.534(7) . ? C21 C22 1.545(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 C6 Ni1 N1 86.17(17) . . ? C6 Ni1 P1 92.35(14) . . ? N1 Ni1 P1 177.58(12) . . ? C6 Ni1 Cl1 176.27(16) . . ? N1 Ni1 Cl1 91.88(12) . . ? P1 Ni1 Cl1 89.49(5) . . ? C6 Ni1 Ni2 68.55(15) . . ? N1 Ni1 Ni2 65.05(12) . . ? P1 Ni1 Ni2 112.62(4) . . ? Cl1 Ni1 Ni2 107.74(4) . . ? C1 Ni2 N2 85.88(18) . . ? C1 Ni2 P2 93.25(15) . . ? N2 Ni2 P2 176.16(12) . . ? C1 Ni2 Cl2 176.15(15) . . ? N2 Ni2 Cl2 91.54(12) . . ? P2 Ni2 Cl2 89.14(6) . . ? C1 Ni2 Ni1 68.16(15) . . ? N2 Ni2 Ni1 64.82(12) . . ? P2 Ni2 Ni1 111.39(5) . . ? Cl2 Ni2 Ni1 108.14(4) . . ? C11 P1 C15 105.4(2) . . ? C11 P1 C13 104.4(2) . . ? C15 P1 C13 103.5(2) . . ? C11 P1 Ni1 110.96(17) . . ? C15 P1 Ni1 109.68(17) . . ? C13 P1 Ni1 121.61(16) . . ? C19 P2 C21 104.4(3) . . ? C19 P2 C17 106.5(3) . . ? C21 P2 C17 103.1(3) . . ? C19 P2 Ni2 109.59(18) . . ? C21 P2 Ni2 121.3(2) . . ? C17 P2 Ni2 110.8(2) . . ? C5 N1 C1 121.4(4) . . ? C5 N1 Ni1 125.3(3) . . ? C1 N1 Ni1 113.2(3) . . ? C10 N2 C6 120.5(5) . . ? C10 N2 Ni2 124.9(4) . . ? C6 N2 Ni2 114.5(3) . . ? N1 C1 C2 117.3(4) . . ? N1 C1 Ni2 113.5(3) . . ? C2 C1 Ni2 128.7(4) . . ? F1 C2 C3 119.5(4) . . ? F1 C2 C1 119.7(4) . . ? C3 C2 C1 120.8(5) . . ? F2 C3 C2 121.7(5) . . ? F2 C3 C4 118.8(4) . . ? C2 C3 C4 119.5(5) . . ? F3 C4 C5 121.6(5) . . ? F3 C4 C3 120.4(4) . . ? C5 C4 C3 117.9(4) . . ? N1 C5 F4 117.4(4) . . ? N1 C5 C4 123.0(5) . . ? F4 C5 C4 119.6(4) . . ? N2 C6 C7 117.4(4) . . ? N2 C6 Ni1 112.1(3) . . ? C7 C6 Ni1 130.2(4) . . ? F5 C7 C8 117.9(5) . . ? F5 C7 C6 120.1(5) . . ? C8 C7 C6 122.0(5) . . ? F6 C8 C7 121.3(6) . . ? F6 C8 C9 119.5(5) . . ? C7 C8 C9 119.2(5) . . ? F7 C9 C10 121.5(6) . . ? F7 C9 C8 120.8(5) . . ? C10 C9 C8 117.6(5) . . ? F8 C10 N2 116.5(5) . . ? F8 C10 C9 120.3(5) . . ? N2 C10 C9 123.1(5) . . ? C12 C11 P1 115.0(4) . . ? C14 C13 P1 114.7(3) . . ? C16 C15 P1 113.8(4) . . ? C18 C17 P2 112.4(4) . . ? C20 C19 P2 115.4(4) . . ? C22 C21 P2 116.1(4) . . ? 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 C6 Ni1 Ni2 C1 97.0(2) . . . . ? N1 Ni1 Ni2 C1 1.1(2) . . . . ? P1 Ni1 Ni2 C1 -179.64(16) . . . . ? Cl1 Ni1 Ni2 C1 -82.57(16) . . . . ? C6 Ni1 Ni2 N2 1.11(19) . . . . ? N1 Ni1 Ni2 N2 -94.83(17) . . . . ? P1 Ni1 Ni2 N2 84.45(12) . . . . ? Cl1 Ni1 Ni2 N2 -178.47(12) . . . . ? C6 Ni1 Ni2 P2 -178.23(15) . . . . ? N1 Ni1 Ni2 P2 85.83(13) . . . . ? P1 Ni1 Ni2 P2 -94.89(6) . . . . ? Cl1 Ni1 Ni2 P2 2.19(6) . . . . ? C6 Ni1 Ni2 Cl2 -81.83(14) . . . . ? N1 Ni1 Ni2 Cl2 -177.78(13) . . . . ? P1 Ni1 Ni2 Cl2 1.51(6) . . . . ? Cl1 Ni1 Ni2 Cl2 98.58(6) . . . . ? C6 Ni1 P1 C11 120.2(2) . . . . ? N1 Ni1 P1 C11 68(3) . . . . ? Cl1 Ni1 P1 C11 -56.54(19) . . . . ? Ni2 Ni1 P1 C11 52.51(19) . . . . ? C6 Ni1 P1 C15 -123.8(2) . . . . ? N1 Ni1 P1 C15 -176(50) . . . . ? Cl1 Ni1 P1 C15 59.44(19) . . . . ? Ni2 Ni1 P1 C15 168.49(18) . . . . ? C6 Ni1 P1 C13 -3.0(2) . . . . ? N1 Ni1 P1 C13 -55(3) . . . . ? Cl1 Ni1 P1 C13 -179.75(19) . . . . ? Ni2 Ni1 P1 C13 -70.70(19) . . . . ? C1 Ni2 P2 C19 113.3(2) . . . . ? N2 Ni2 P2 C19 36.6(17) . . . . ? Cl2 Ni2 P2 C19 -63.6(2) . . . . ? Ni1 Ni2 P2 C19 45.5(2) . . . . ? C1 Ni2 P2 C21 -8.3(3) . . . . ? N2 Ni2 P2 C21 -85.1(17) . . . . ? Cl2 Ni2 P2 C21 174.7(2) . . . . ? Ni1 Ni2 P2 C21 -76.1(2) . . . . ? C1 Ni2 P2 C17 -129.4(3) . . . . ? N2 Ni2 P2 C17 153.8(17) . . . . ? Cl2 Ni2 P2 C17 53.6(2) . . . . ? Ni1 Ni2 P2 C17 162.8(2) . . . . ? C6 Ni1 N1 C5 107.2(4) . . . . ? P1 Ni1 N1 C5 159(3) . . . . ? Cl1 Ni1 N1 C5 -75.9(4) . . . . ? Ni2 Ni1 N1 C5 175.3(4) . . . . ? C6 Ni1 N1 C1 -69.6(3) . . . . ? P1 Ni1 N1 C1 -17(3) . . . . ? Cl1 Ni1 N1 C1 107.2(3) . . . . ? Ni2 Ni1 N1 C1 -1.5(3) . . . . ? C1 Ni2 N2 C10 110.2(4) . . . . ? P2 Ni2 N2 C10 -172.8(15) . . . . ? Cl2 Ni2 N2 C10 -72.7(4) . . . . ? Ni1 Ni2 N2 C10 178.0(4) . . . . ? C1 Ni2 N2 C6 -69.3(3) . . . . ? P2 Ni2 N2 C6 7.7(19) . . . . ? Cl2 Ni2 N2 C6 107.8(3) . . . . ? Ni1 Ni2 N2 C6 -1.6(3) . . . . ? C5 N1 C1 C2 -1.7(7) . . . . ? Ni1 N1 C1 C2 175.3(3) . . . . ? C5 N1 C1 Ni2 -174.7(3) . . . . ? Ni1 N1 C1 Ni2 2.3(4) . . . . ? N2 Ni2 C1 N1 63.0(3) . . . . ? P2 Ni2 C1 N1 -113.3(3) . . . . ? Cl2 Ni2 C1 N1 15(2) . . . . ? Ni1 Ni2 C1 N1 -1.5(3) . . . . ? N2 Ni2 C1 C2 -109.1(5) . . . . ? P2 Ni2 C1 C2 74.7(5) . . . . ? Cl2 Ni2 C1 C2 -157.1(19) . . . . ? Ni1 Ni2 C1 C2 -173.6(5) . . . . ? N1 C1 C2 F1 -177.6(4) . . . . ? Ni2 C1 C2 F1 -5.8(7) . . . . ? N1 C1 C2 C3 1.9(7) . . . . ? Ni2 C1 C2 C3 173.7(4) . . . . ? F1 C2 C3 F2 0.8(8) . . . . ? C1 C2 C3 F2 -178.7(5) . . . . ? F1 C2 C3 C4 178.8(5) . . . . ? C1 C2 C3 C4 -0.7(8) . . . . ? F2 C3 C4 F3 1.5(8) . . . . ? C2 C3 C4 F3 -176.5(4) . . . . ? F2 C3 C4 C5 177.3(4) . . . . ? C2 C3 C4 C5 -0.7(8) . . . . ? C1 N1 C5 F4 178.7(4) . . . . ? Ni1 N1 C5 F4 2.1(6) . . . . ? C1 N1 C5 C4 0.3(7) . . . . ? Ni1 N1 C5 C4 -176.3(4) . . . . ? F3 C4 C5 N1 176.7(4) . . . . ? C3 C4 C5 N1 1.0(8) . . . . ? F3 C4 C5 F4 -1.7(7) . . . . ? C3 C4 C5 F4 -177.4(4) . . . . ? C10 N2 C6 C7 -2.7(7) . . . . ? Ni2 N2 C6 C7 176.9(3) . . . . ? C10 N2 C6 Ni1 -177.2(3) . . . . ? Ni2 N2 C6 Ni1 2.3(4) . . . . ? N1 Ni1 C6 N2 63.1(3) . . . . ? P1 Ni1 C6 N2 -115.0(3) . . . . ? Cl1 Ni1 C6 N2 5(2) . . . . ? Ni2 Ni1 C6 N2 -1.6(3) . . . . ? N1 Ni1 C6 C7 -110.5(4) . . . . ? P1 Ni1 C6 C7 71.4(4) . . . . ? Cl1 Ni1 C6 C7 -169.1(18) . . . . ? Ni2 Ni1 C6 C7 -175.2(5) . . . . ? N2 C6 C7 F5 -177.5(4) . . . . ? Ni1 C6 C7 F5 -4.1(7) . . . . ? N2 C6 C7 C8 2.8(7) . . . . ? Ni1 C6 C7 C8 176.2(4) . . . . ? F5 C7 C8 F6 0.8(7) . . . . ? C6 C7 C8 F6 -179.5(4) . . . . ? F5 C7 C8 C9 179.4(4) . . . . ? C6 C7 C8 C9 -0.8(8) .. . . . ? F6 C8 C9 F7 -0.6(8) . . . . ? C7 C8 C9 F7 -179.2(4) . . . . ? F6 C8 C9 C10 177.4(4) . . . . ? C7 C8 C9 C10 -1.3(8) . . . . ? C6 N2 C10 F8 178.2(4) . . . . ? Ni2 N2 C10 F8 -1.3(6) . . . . ? C6 N2 C10 C9 0.6(7) . . . . ? Ni2 N2 C10 C9 -178.9(4) . . . . ? F7 C9 C10 F8 1.8(8) . . . . ? C8 C9 C10 F8 -176.1(4) . . . . ? F7 C9 C10 N2 179.4(4) . . . . ? C8 C9 C10 N2 1.4(8) . . . . ? C15 P1 C11 C12 52.6(5) . . . . ? C13 P1 C11 C12 -56.1(4) . . . . ? Ni1 P1 C11 C12 171.2(3) . . . . ? C11 P1 C13 C14 -55.5(4) . . . . ? C15 P1 C13 C14 -165.5(4) . . . . ? Ni1 P1 C13 C14 70.7(4) . . . . ? C11 P1 C15 C16 162.3(4) . . . . ? C13 P1 C15 C16 -88.4(4) . . . . ? Ni1 P1 C15 C16 42.8(4) . . . . ? C19 P2 C17 C18 172.1(5) . . . . ? C21 P2 C17 C18 -78.3(5) . . . . ? Ni2 P2 C17 C18 53.0(5) . . . . ? C21 P2 C19 C20 -56.4(5) . . . . ? C17 P2 C19 C20 52.3(5) . . . . ? Ni2 P2 C19 C20 172.2(4) . . . . ? C19 P2 C21 C22 -53.3(5) . . . . ? C17 P2 C21 C22 -164.4(5) . . . . ? Ni2 P2 C21 C22 70.9(5) . . . . ? _diffrn_measured_fraction_theta_max 0.999 _diffrn_reflns_theta_full 24.99 _diffrn_measured_fraction_theta_full 0.999 _refine_diff_density_max 0.581 _refine_diff_density_min -0.581 _refine_diff_density_rms 0.102 #===END