# Supplementary Material (ESI) for ChemComm
# This journal is © The Royal Society of Chemistry 2000
# CCDC Number: 182/


data_rgc9810 
  
_audit_creation_method            SHELXL 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_formula_moiety          ? 
_chemical_formula_structural      ? 
_chemical_formula_analytical      ? 
_chemical_formula_sum             'C31 H62 Cl2 Hf N2 P2 Si2' 
_chemical_formula_weight          830.34 
_chemical_melting_point           ? 
_chemical_compound_source         ? 
  
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'C'  'C'    .0181    .0091 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'H'  'H'    .0000    .0000 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'N'  'N'    .0311    .0180 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Si'  'Si'    .2541    .3302 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'P'  'P'    .2955    .4335 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Cl'  'Cl'    .3639    .7018 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Hf'  'Hf'  -6.1794   4.9776 
 '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)/c 
  
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, y+1/2, -z+1/2' 
 '-x, -y, -z' 
 'x, -y-1/2, z-1/2' 
  
_cell_length_a                    10.3572(7) 
_cell_length_b                    20.8156(10) 
_cell_length_c                    17.8865(10) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  93.226(5) 
_cell_angle_gamma                 90.00 
_cell_volume                      3850.1(4) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     213(2) 
_cell_measurement_reflns_used     40 
_cell_measurement_theta_min       27.50 
_cell_measurement_theta_max       28.99 
  
_exptl_crystal_description        fragment 
_exptl_crystal_colour             colorless 
_exptl_crystal_size_max           0.48 
_exptl_crystal_size_mid           0.46 
_exptl_crystal_size_min           0.36 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.433 
_exptl_crystal_density_method     ? 
_exptl_crystal_F_000              1704 
_exptl_absorpt_coefficient_mu     7.829 
_exptl_absorpt_correction_type    empirical 
_exptl_absorpt_correction_T_min   .0275 
_exptl_absorpt_correction_T_max   .1169 
  
_exptl_special_details 
; 
 ? 
; 
  
_diffrn_ambient_temperature       213(2) 
_diffrn_radiation_wavelength      1.54178 
_diffrn_radiation_type            CuKa 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device        'Siemens P4' 
_diffrn_measurement_method        '2\q/\w scans' 
_diffrn_standards_number          0 
_diffrn_standards_interval_count  297 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             5204 
_diffrn_reflns_av_R_equivalents   0.0462 
_diffrn_reflns_av_sigmaI/netI     0.0314 
_diffrn_reflns_limit_h_min        -1 
_diffrn_reflns_limit_h_max        11 
_diffrn_reflns_limit_k_min        -1 
_diffrn_reflns_limit_k_max        22 
_diffrn_reflns_limit_l_min        -19 
_diffrn_reflns_limit_l_max        19 
_diffrn_reflns_theta_min          3.26 
_diffrn_reflns_theta_max          57.39 
_reflns_number_total              4864 
_reflns_number_observed           4306 
_reflns_observed_criterion        >2sigma(I) 
  
_computing_data_collection        'Siemens XSCANS' 
_computing_cell_refinement        'Siemens XSCANS' 
_computing_data_reduction         'Siemens SHELXTL' 
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)' 
_computing_molecular_graphics     'Siemens SHELXTL' 
_computing_publication_material   'Siemens SHELXTL' 
  
_refine_special_details 
; 
 Refinement on F^2^ for ALL reflections except for 1 with very negative F^2^ 
 or flagged by the user for potential systematic errors.  Weighted R-factors 
 wR and all goodnesses 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 observed criterion 
 of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 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 w=1/[s^2^(Fo^2^)+( 0.0735P)^2^+3.4829P] 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     ? 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          4863 
_refine_ls_number_parameters      361 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0495 
_refine_ls_R_factor_obs           0.0432 
_refine_ls_wR_factor_all          0.1148 
_refine_ls_wR_factor_obs          0.1100 
_refine_ls_goodness_of_fit_all    1.069 
_refine_ls_goodness_of_fit_obs    1.095 
_refine_ls_restrained_S_all       1.070 
_refine_ls_restrained_S_obs       1.095 
_refine_ls_shift/esd_max          0.009 
_refine_ls_shift/esd_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_thermal_displace_type 
 _atom_site_occupancy 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_group 
Hf Hf 0.04496(3) 0.129195(14) -0.23762(2) 0.04109(15) Uani 1 d . . 
Cl1 Cl -0.1186(2) 0.05243(9) -0.27024(11) 0.0641(5) Uani 1 d . . 
Cl2 Cl 0.0066(2) 0.19228(9) -0.12950(10) 0.0633(5) Uani 1 d . . 
P1 P 0.14223(14) 0.19331(7) -0.36049(9) 0.0397(4) Uani 1 d . . 
P2 P 0.30612(15) 0.09394(8) -0.24536(9) 0.0413(4) Uani 1 d . . 
Si1 Si -0.1395(2) 0.24100(10) -0.35105(13) 0.0594(5) Uani 1 d . . 
Si2 Si 0.2007(2) 0.02381(9) -0.10679(10) 0.0480(4) Uani 1 d . . 
N1 N -0.0004(5) 0.1983(2) -0.3255(3) 0.0451(12) Uani 1 d . . 
N2 N 0.2007(5) 0.0723(2) -0.1855(3) 0.0441(12) Uani 1 d . . 
C1 C 0.2129(6) 0.1393(3) -0.3032(4) 0.047(2) Uani 1 d . . 
C2 C -0.1133(8) 0.3020(4) -0.4241(4) 0.065(2) Uani 1 d . . 
H2A H -0.0456(8) 0.3314(4) -0.4064(4) 0.078 Uiso 1 calc R . 
H2B H -0.1927(8) 0.3258(4) -0.4349(4) 0.078 Uiso 1 calc R . 
H2C H -0.0879(8) 0.2808(4) -0.4693(4) 0.078 Uiso 1 calc R . 
C3 C -0.1939(10) 0.2847(5) -0.2669(5) 0.106(4) Uani 1 d . . 
H3A H -0.1265(10) 0.3139(5) -0.2486(5) 0.127 Uiso 1 calc R . 
H3B H -0.2117(10) 0.2539(5) -0.2281(5) 0.127 Uiso 1 calc R . 
H3C H -0.2719(10) 0.3088(5) -0.2806(5) 0.127 Uiso 1 calc R . 
C4 C -0.2675(9) 0.1859(5) -0.3852(9) 0.153(7) Uani 1 d . . 
H4A H -0.2818(9) 0.1538(5) -0.3472(9) 0.184 Uiso 1 calc R . 
H4B H -0.2419(9) 0.1649(5) -0.4304(9) 0.184 Uiso 1 calc R . 
H4C H -0.3467(9) 0.2099(5) -0.3961(9) 0.184 Uiso 1 calc R . 
C5 C 0.2405(8) 0.0704(4) -0.0200(4) 0.069(2) Uani 1 d . . 
H5A H 0.3264(8) 0.0886(4) -0.0220(4) 0.083 Uiso 1 calc R . 
H5B H 0.2379(8) 0.0422(4) 0.0231(4) 0.083 Uiso 1 calc R . 
H5C H 0.1779(8) 0.1047(4) -0.0157(4) 0.083 Uiso 1 calc R . 
C6 C 0.0367(7) -0.0105(4) -0.1017(4) 0.065(2) Uani 1 d . . 
H6A H 0.0149(7) -0.0349(4) -0.1468(4) 0.078 Uiso 1 calc R . 
H6B H -0.0253(7) 0.0240(4) -0.0971(4) 0.078 Uiso 1 calc R . 
H6C H 0.0346(7) -0.0384(4) -0.0584(4) 0.078 Uiso 1 calc R . 
C7 C 0.3186(7) -0.0436(3) -0.1089(4) 0.061(2) Uani 1 d . . 
H7A H 0.4053(7) -0.0264(3) -0.1116(4) 0.073 Uiso 1 calc R . 
H7B H 0.2981(7) -0.0703(3) -0.1524(4) 0.073 Uiso 1 calc R . 
H7C H 0.3140(7) -0.0691(3) -0.0638(4) 0.073 Uiso 1 calc R . 
C11 C 0.2233(6) 0.2716(3) -0.3622(3) 0.0417(14) Uani 1 d . . 
H11 H 0.1950(6) 0.2928(3) -0.4099(3) 0.050 Uiso 1 calc R . 
C12 C 0.1839(6) 0.3154(3) -0.2987(4) 0.049(2) Uani 1 d . . 
H12A H 0.0900(6) 0.3217(3) -0.3028(4) 0.059 Uiso 1 calc R . 
H12B H 0.2062(6) 0.2946(3) -0.2505(4) 0.059 Uiso 1 calc R . 
C13 C 0.2503(7) 0.3800(3) -0.3009(4) 0.057(2) Uani 1 d . . 
H13A H 0.2278(7) 0.4054(3) -0.2573(4) 0.068 Uiso 1 calc R . 
H13B H 0.2191(7) 0.4032(3) -0.3460(4) 0.068 Uiso 1 calc R . 
C14 C 0.3977(7) 0.3732(3) -0.3007(4) 0.059(2) Uani 1 d . . 
H14A H 0.4369(7) 0.4157(3) -0.3061(4) 0.071 Uiso 1 calc R . 
H14B H 0.4305(7) 0.3550(3) -0.2528(4) 0.071 Uiso 1 calc R . 
C15 C 0.4362(6) 0.3300(3) -0.3642(4) 0.056(2) Uani 1 d . . 
H15A H 0.5302(6) 0.3239(3) -0.3608(4) 0.067 Uiso 1 calc R . 
H15B H 0.4127(6) 0.3508(3) -0.4122(4) 0.067 Uiso 1 calc R . 
C16 C 0.3696(6) 0.2645(3) -0.3615(4) 0.049(2) Uani 1 d . . 
H16A H 0.3925(6) 0.2388(3) -0.4048(4) 0.059 Uiso 1 calc R . 
H16B H 0.4005(6) 0.2417(3) -0.3160(4) 0.059 Uiso 1 calc R . 
C21 C 0.1155(6) 0.1700(3) -0.4579(3) 0.0455(15) Uani 1 d . . 
H21 H 0.0580(6) 0.2030(3) -0.4818(3) 0.055 Uiso 1 calc R . 
C22 C 0.2359(7) 0.1670(4) -0.5037(4) 0.061(2) Uani 1 d . . 
H22A H 0.2975(7) 0.1362(4) -0.4804(4) 0.073 Uiso 1 calc R . 
H22B H 0.2776(7) 0.2093(4) -0.5031(4) 0.073 Uiso 1 calc R . 
C23 C 0.2031(8) 0.1469(4) -0.5850(4) 0.068(2) Uani 1 d . . 
H23A H 0.1519(8) 0.1809(4) -0.6104(4) 0.081 Uiso 1 calc R . 
H23B H 0.2833(8) 0.1420(4) -0.6109(4) 0.081 Uiso 1 calc R . 
C24 C 0.1279(10) 0.0845(4) -0.5899(5) 0.084(3) Uani 1 d . . 
H24A H 0.1029(10) 0.0752(4) -0.6424(5) 0.101 Uiso 1 calc R . 
H24B H 0.1831(10) 0.0494(4) -0.5705(5) 0.101 Uiso 1 calc R . 
C25 C 0.0104(8) 0.0882(4) -0.5464(5) 0.074(2) Uani 1 d . . 
H25A H -0.0337(8) 0.0465(4) -0.5485(5) 0.089 Uiso 1 calc R . 
H25B H -0.0489(8) 0.1202(4) -0.5693(5) 0.089 Uiso 1 calc R . 
C26 C 0.0425(7) 0.1062(4) -0.4648(4) 0.060(2) Uani 1 d . . 
H26A H 0.0954(7) 0.0722(4) -0.4407(4) 0.072 Uiso 1 calc R . 
H26B H -0.0378(7) 0.1095(4) -0.4386(4) 0.072 Uiso 1 calc R . 
C31 C 0.3754(6) 0.0237(3) -0.2891(4) 0.0457(15) Uani 1 d . . 
H31 H 0.4247(6) -0.0006(3) -0.2494(4) 0.055 Uiso 1 calc R . 
C32 C 0.4696(7) 0.0425(4) -0.3479(4) 0.063(2) Uani 1 d . . 
H32A H 0.4241(7) 0.0683(4) -0.3869(4) 0.076 Uiso 1 calc R . 
H32B H 0.5390(7) 0.0688(4) -0.3245(4) 0.076 Uiso 1 calc R . 
C33 C 0.5281(9) -0.0164(4) -0.3836(5) 0.076(2) Uani 1 d . . 
H33A H 0.5827(9) -0.0027(4) -0.4236(5) 0.091 Uiso 1 calc R . 
H33B H 0.5828(9) -0.0393(4) -0.3459(5) 0.091 Uiso 1 calc R . 
C34 C 0.4252(10) -0.0608(4) -0.4153(5) 0.085(3) Uani 1 d . . 
H34A H 0.4662(10) -0.0993(4) -0.4349(5) 0.102 Uiso 1 calc R . 
H34B H 0.3775(10) -0.0395(4) -0.4571(5) 0.102 Uiso 1 calc R . 
C35 C 0.3310(8) -0.0809(4) -0.3577(4) 0.066(2) Uani 1 d . . 
H35A H 0.3764(8) -0.1061(4) -0.3181(4) 0.079 Uiso 1 calc R . 
H35B H 0.2628(8) -0.1078(4) -0.3815(4) 0.079 Uiso 1 calc R . 
C36 C 0.2708(7) -0.0212(3) -0.3235(4) 0.058(2) Uani 1 d . . 
H36A H 0.2131(7) -0.0344(3) -0.2848(4) 0.069 Uiso 1 calc R . 
H36B H 0.2191(7) 0.0019(3) -0.3625(4) 0.069 Uiso 1 calc R . 
C41 C 0.4437(6) 0.1371(3) -0.1999(4) 0.048(2) Uani 1 d . . 
H41 H 0.4919(6) 0.1558(3) -0.2409(4) 0.058 Uiso 1 calc R . 
C42 C 0.3975(6) 0.1942(3) -0.1540(4) 0.051(2) Uani 1 d . . 
H42A H 0.3399(6) 0.2213(3) -0.1858(4) 0.061 Uiso 1 calc R . 
H42B H 0.3484(6) 0.1782(3) -0.1126(4) 0.061 Uiso 1 calc R . 
C43 C 0.5103(7) 0.2338(4) -0.1230(4) 0.062(2) Uani 1 d . . 
H43A H 0.5528(7) 0.2540(4) -0.1646(4) 0.075 Uiso 1 calc R . 
H43B H 0.4781(7) 0.2680(4) -0.0914(4) 0.075 Uiso 1 calc R . 
C44 C 0.6078(8) 0.1944(4) -0.0778(5) 0.077(2) Uani 1 d . . 
H44A H 0.5692(8) 0.1791(4) -0.0323(5) 0.093 Uiso 1 calc R . 
H44B H 0.6824(8) 0.2213(4) -0.0627(5) 0.093 Uiso 1 calc R . 
C45 C 0.6526(8) 0.1377(4) -0.1217(5) 0.070(2) Uani 1 d . . 
H45A H 0.7105(8) 0.1113(4) -0.0891(5) 0.084 Uiso 1 calc R . 
H45B H 0.7022(8) 0.1532(4) -0.1631(5) 0.084 Uiso 1 calc R . 
C46 C 0.5418(6) 0.0964(4) -0.1530(4) 0.057(2) Uani 1 d . . 
H46A H 0.4987(6) 0.0762(4) -0.1117(4) 0.069 Uiso 1 calc R . 
H46B H 0.5756(6) 0.0623(4) -0.1842(4) 0.069 Uiso 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 
Hf 0.0329(2) 0.0433(2) 0.0477(2) -0.00168(13) 0.00679(14) -0.00207(13) 
Cl1 0.0534(10) 0.0559(10) 0.0821(12) 0.0000(9) -0.0023(9) -0.0161(8) 
Cl2 0.0597(10) 0.0730(11) 0.0583(10) -0.0138(9) 0.0127(8) 0.0040(9) 
P1 0.0337(8) 0.0414(8) 0.0439(9) -0.0004(7) 0.0024(7) -0.0011(7) 
P2 0.0346(8) 0.0431(9) 0.0463(9) 0.0018(7) 0.0045(7) 0.0007(7) 
Si1 0.0363(10) 0.0618(12) 0.0806(14) 0.0145(10) 0.0071(9) 0.0084(9) 
Si2 0.0466(10) 0.0512(10) 0.0467(10) 0.0027(8) 0.0078(8) -0.0051(8) 
N1 0.038(3) 0.042(3) 0.055(3) 0.004(2) 0.004(2) -0.002(2) 
N2 0.041(3) 0.048(3) 0.044(3) -0.003(2) 0.006(2) -0.002(2) 
C1 0.028(3) 0.049(4) 0.065(4) -0.003(3) 0.012(3) -0.007(3) 
C2 0.064(5) 0.065(5) 0.064(5) 0.010(4) -0.005(4) 0.013(4) 
C3 0.098(7) 0.136(9) 0.087(7) 0.031(6) 0.031(6) 0.072(7) 
C4 0.051(6) 0.085(7) 0.316(20) 0.041(10) -0.062(9) -0.010(5) 
C5 0.081(5) 0.081(5) 0.045(4) 0.000(4) 0.007(4) -0.015(4) 
C6 0.060(5) 0.075(5) 0.062(5) 0.013(4) 0.010(4) -0.015(4) 
C7 0.058(4) 0.060(4) 0.065(5) 0.007(4) 0.009(4) -0.002(4) 
C11 0.038(3) 0.043(3) 0.044(3) 0.000(3) 0.000(3) -0.003(3) 
C12 0.048(4) 0.052(4) 0.047(4) -0.003(3) 0.002(3) -0.002(3) 
C13 0.067(5) 0.052(4) 0.050(4) -0.005(3) -0.001(3) -0.004(4) 
C14 0.052(4) 0.057(4) 0.068(5) -0.009(4) -0.006(4) -0.019(3) 
C15 0.039(4) 0.057(4) 0.070(5) 0.009(4) -0.001(3) -0.013(3) 
C16 0.042(4) 0.048(4) 0.056(4) -0.003(3) 0.000(3) -0.004(3) 
C21 0.046(4) 0.048(4) 0.041(4) -0.003(3) -0.006(3) -0.004(3) 
C22 0.063(5) 0.060(4) 0.060(4) -0.005(4) 0.007(4) -0.001(4) 
C23 0.075(5) 0.075(5) 0.054(4) -0.012(4) 0.015(4) 0.000(4) 
C24 0.104(7) 0.080(6) 0.067(5) -0.024(5) -0.006(5) -0.001(5) 
C25 0.073(5) 0.073(5) 0.074(5) -0.012(4) -0.013(4) -0.020(4) 
C26 0.064(5) 0.064(4) 0.052(4) -0.005(4) -0.003(3) -0.019(4) 
C31 0.042(4) 0.050(4) 0.045(4) 0.003(3) 0.000(3) 0.008(3) 
C32 0.061(5) 0.065(5) 0.064(5) 0.019(4) 0.020(4) 0.020(4) 
C33 0.083(6) 0.080(6) 0.068(5) 0.012(4) 0.030(5) 0.030(5) 
C34 0.106(7) 0.087(6) 0.061(5) -0.013(5) 0.005(5) 0.042(6) 
C35 0.073(5) 0.051(4) 0.072(5) -0.013(4) -0.015(4) 0.015(4) 
C36 0.056(4) 0.056(4) 0.060(4) -0.005(3) -0.008(3) 0.009(3) 
C41 0.037(4) 0.053(4) 0.055(4) 0.003(3) 0.003(3) -0.004(3) 
C42 0.043(4) 0.052(4) 0.058(4) 0.001(3) 0.002(3) -0.001(3) 
C43 0.054(4) 0.056(4) 0.076(5) -0.008(4) -0.003(4) -0.003(4) 
C44 0.062(5) 0.077(6) 0.090(6) -0.006(5) -0.022(5) -0.015(4) 
C45 0.050(5) 0.075(5) 0.081(6) 0.010(4) -0.018(4) 0.002(4) 
C46 0.042(4) 0.067(5) 0.062(4) 0.009(4) -0.007(3) 0.001(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 
Hf C1 2.162(6) . ? 
Hf N1 2.164(5) . ? 
Hf N2 2.170(5) . ? 
Hf Cl1 2.377(2) . ? 
Hf Cl2 2.389(2) . ? 
P1 N1 1.639(5) . ? 
P1 C1 1.662(7) . ? 
P1 C21 1.815(6) . ? 
P1 C11 1.834(6) . ? 
P2 N2 1.635(5) . ? 
P2 C1 1.668(7) . ? 
P2 C31 1.825(6) . ? 
P2 C41 1.835(7) . ? 
Si1 N1 1.732(5) . ? 
Si1 C4 1.831(10) . ? 
Si1 C2 1.853(7) . ? 
Si1 C3 1.872(9) . ? 
Si2 N2 1.732(5) . ? 
Si2 C6 1.849(7) . ? 
Si2 C5 1.857(7) . ? 
Si2 C7 1.862(7) . ? 
C11 C16 1.522(9) . ? 
C11 C12 1.530(9) . ? 
C12 C13 1.513(9) . ? 
C13 C14 1.533(10) . ? 
C14 C15 1.520(10) . ? 
C15 C16 1.529(9) . ? 
C21 C26 1.528(9) . ? 
C21 C22 1.532(9) . ? 
C22 C23 1.533(10) . ? 
C23 C24 1.515(12) . ? 
C24 C25 1.483(12) . ? 
C25 C26 1.526(10) . ? 
C31 C32 1.525(9) . ? 
C31 C36 1.533(9) . ? 
C32 C33 1.523(10) . ? 
C33 C34 1.497(13) . ? 
C34 C35 1.517(12) . ? 
C35 C36 1.532(9) . ? 
C41 C46 1.536(10) . ? 
C41 C42 1.537(9) . ? 
C42 C43 1.510(10) . ? 
C43 C44 1.501(11) . ? 
C44 C45 1.505(11) . ? 
C45 C46 1.515(10) . ? 
  
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 Hf N1 71.9(2) . . ? 
C1 Hf N2 71.6(2) . . ? 
N1 Hf N2 143.3(2) . . ? 
C1 Hf Cl1 121.1(2) . . ? 
N1 Hf Cl1 98.41(14) . . ? 
N2 Hf Cl1 103.93(14) . . ? 
C1 Hf Cl2 124.1(2) . . ? 
N1 Hf Cl2 100.58(14) . . ? 
N2 Hf Cl2 96.08(14) . . ? 
Cl1 Hf Cl2 114.79(7) . . ? 
N1 P1 C1 100.5(3) . . ? 
N1 P1 C21 106.9(3) . . ? 
C1 P1 C21 116.7(3) . . ? 
N1 P1 C11 111.9(3) . . ? 
C1 P1 C11 115.1(3) . . ? 
C21 P1 C11 105.5(3) . . ? 
N2 P2 C1 100.3(3) . . ? 
N2 P2 C31 110.7(3) . . ? 
C1 P2 C31 114.6(3) . . ? 
N2 P2 C41 112.1(3) . . ? 
C1 P2 C41 113.9(3) . . ? 
C31 P2 C41 105.5(3) . . ? 
N1 Si1 C4 110.1(4) . . ? 
N1 Si1 C2 112.6(3) . . ? 
C4 Si1 C2 109.0(5) . . ? 
N1 Si1 C3 108.7(4) . . ? 
C4 Si1 C3 109.1(7) . . ? 
C2 Si1 C3 107.3(4) . . ? 
N2 Si2 C6 107.9(3) . . ? 
N2 Si2 C5 111.4(3) . . ? 
C6 Si2 C5 108.7(4) . . ? 
N2 Si2 C7 113.1(3) . . ? 
C6 Si2 C7 108.4(4) . . ? 
C5 Si2 C7 107.2(4) . . ? 
P1 N1 Si1 133.4(3) . . ? 
P1 N1 Hf 94.1(2) . . ? 
Si1 N1 Hf 132.5(3) . . ? 
P2 N2 Si2 136.4(3) . . ? 
P2 N2 Hf 94.3(2) . . ? 
Si2 N2 Hf 129.3(3) . . ? 
P1 C1 P2 169.9(4) . . ? 
P1 C1 Hf 93.5(3) . . ? 
P2 C1 Hf 93.6(3) . . ? 
C16 C11 C12 111.0(5) . . ? 
C16 C11 P1 111.8(4) . . ? 
C12 C11 P1 112.0(4) . . ? 
C13 C12 C11 111.7(5) . . ? 
C12 C13 C14 111.8(6) . . ? 
C15 C14 C13 110.9(6) . . ? 
C14 C15 C16 111.5(6) . . ? 
C11 C16 C15 111.4(5) . . ? 
C26 C21 C22 109.6(6) . . ? 
C26 C21 P1 111.0(4) . . ? 
C22 C21 P1 116.0(5) . . ? 
C21 C22 C23 112.0(6) . . ? 
C24 C23 C22 112.0(7) . . ? 
C25 C24 C23 111.1(7) . . ? 
C24 C25 C26 111.9(7) . . ? 
C25 C26 C21 111.8(6) . . ? 
C32 C31 C36 110.1(6) . . ? 
C32 C31 P2 111.9(5) . . ? 
C36 C31 P2 112.0(4) . . ? 
C33 C32 C31 111.6(6) . . ? 
C34 C33 C32 111.4(7) . . ? 
C33 C34 C35 112.6(7) . . ? 
C34 C35 C36 109.9(7) . . ? 
C35 C36 C31 111.1(6) . . ? 
C46 C41 C42 110.5(6) . . ? 
C46 C41 P2 116.5(5) . . ? 
C42 C41 P2 111.0(4) . . ? 
C43 C42 C41 111.1(6) . . ? 
C44 C43 C42 112.5(6) . . ? 
C43 C44 C45 111.4(7) . . ? 
C44 C45 C46 112.8(7) . . ? 
C45 C46 C41 110.7(6) . . ? 
  
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 P1 N1 Si1 -177.7(4) . . . . ? 
 C21 P1 N1 Si1 -55.4(5) . . . . ? 
 C11 P1 N1 Si1 59.7(5) . . . . ? 
 C1 P1 N1 Hf 0.3(3) . . . . ? 
 C21 P1 N1 Hf 122.6(3) . . . . ? 
 C11 P1 N1 Hf -122.4(3) . . . . ? 
 C4 Si1 N1 P1 111.3(7) . . . . ? 
 C2 Si1 N1 P1 -10.5(6) . . . . ? 
 C3 Si1 N1 P1 -129.2(5) . . . . ? 
 C4 Si1 N1 Hf -65.9(7) . . . . ? 
 C2 Si1 N1 Hf 172.2(4) . . . . ? 
 C3 Si1 N1 Hf 53.5(6) . . . . ? 
 C1 Hf N1 P1 -0.3(2) . . . . ? 
 N2 Hf N1 P1 6.9(4) . . . . ? 
 Cl1 Hf N1 P1 -120.3(2) . . . . ? 
 Cl2 Hf N1 P1 122.4(2) . . . . ? 
 C1 Hf N1 Si1 177.7(4) . . . . ? 
 N2 Hf N1 Si1 -175.1(3) . . . . ? 
 Cl1 Hf N1 Si1 57.7(4) . . . . ? 
 Cl2 Hf N1 Si1 -59.6(4) . . . . ? 
 C1 P2 N2 Si2 177.9(5) . . . . ? 
 C31 P2 N2 Si2 56.6(5) . . . . ? 
 C41 P2 N2 Si2 -60.9(5) . . . . ? 
 C1 P2 N2 Hf -3.1(3) . . . . ? 
 C31 P2 N2 Hf -124.4(3) . . . . ? 
 C41 P2 N2 Hf 118.1(3) . . . . ? 
 C6 Si2 N2 P2 -149.4(5) . . . . ? 
 C5 Si2 N2 P2 91.3(5) . . . . ? 
 C7 Si2 N2 P2 -29.5(6) . . . . ? 
 C6 Si2 N2 Hf 31.9(5) . . . . ? 
 C5 Si2 N2 Hf -87.4(4) . . . . ? 
 C7 Si2 N2 Hf 151.8(4) . . . . ? 
 C1 Hf N2 P2 2.5(2) . . . . ? 
 N1 Hf N2 P2 -4.7(4) . . . . ? 
 Cl1 Hf N2 P2 121.1(2) . . . . ? 
 Cl2 Hf N2 P2 -121.5(2) . . . . ? 
 C1 Hf N2 Si2 -178.4(4) . . . . ? 
 N1 Hf N2 Si2 174.4(3) . . . . ? 
 Cl1 Hf N2 Si2 -59.9(3) . . . . ? 
 Cl2 Hf N2 Si2 57.6(3) . . . . ? 
 N1 P1 C1 P2 -135.0(25) . . . . ? 
 C21 P1 C1 P2 109.9(26) . . . . ? 
 C11 P1 C1 P2 -14.6(27) . . . . ? 
 N1 P1 C1 Hf -0.3(3) . . . . ? 
 C21 P1 C1 Hf -115.5(3) . . . . ? 
 C11 P1 C1 Hf 120.1(3) . . . . ? 
 N2 P2 C1 P1 137.8(25) . . . . ? 
 C31 P2 C1 P1 -103.7(26) . . . . ? 
 C41 P2 C1 P1 17.9(27) . . . . ? 
 N2 P2 C1 Hf 3.1(3) . . . . ? 
 C31 P2 C1 Hf 121.6(3) . . . . ? 
 C41 P2 C1 Hf -116.7(3) . . . . ? 
 N1 Hf C1 P1 0.3(2) . . . . ? 
 N2 Hf C1 P1 -175.2(3) . . . . ? 
 Cl1 Hf C1 P1 89.2(3) . . . . ? 
 Cl2 Hf C1 P1 -90.4(3) . . . . ? 
 N1 Hf C1 P2 173.1(3) . . . . ? 
 N2 Hf C1 P2 -2.4(2) . . . . ? 
 Cl1 Hf C1 P2 -97.9(3) . . . . ? 
 Cl2 Hf C1 P2 82.4(3) . . . . ? 
 N1 P1 C11 C16 155.3(4) . . . . ? 
 C1 P1 C11 C16 41.4(6) . . . . ? 
 C21 P1 C11 C16 -88.8(5) . . . . ? 
 N1 P1 C11 C12 30.0(5) . . . . ? 
 C1 P1 C11 C12 -84.0(5) . . . . ? 
 C21 P1 C11 C12 145.9(5) . . . . ? 
 C16 C11 C12 C13 54.7(7) . . . . ? 
 P1 C11 C12 C13 -179.5(5) . . . . ? 
 C11 C12 C13 C14 -54.7(8) . . . . ? 
 C12 C13 C14 C15 54.7(8) . . . . ? 
 C13 C14 C15 C16 -55.0(8) . . . . ? 
 C12 C11 C16 C15 -55.0(7) . . . . ? 
 P1 C11 C16 C15 179.1(5) . . . . ? 
 C14 C15 C16 C11 55.8(8) . . . . ? 
 N1 P1 C21 C26 -58.3(5) . . . . ? 
 C1 P1 C21 C26 53.2(6) . . . . ? 
 C11 P1 C21 C26 -177.5(5) . . . . ? 
 N1 P1 C21 C22 175.8(5) . . . . ? 
 C1 P1 C21 C22 -72.7(6) . . . . ? 
 C11 P1 C21 C22 56.5(6) . . . . ? 
 C26 C21 C22 C23 53.4(8) . . . . ? 
 P1 C21 C22 C23 -180.0(5) . . . . ? 
 C21 C22 C23 C24 -54.0(9) . . . . ? 
 C22 C23 C24 C25 54.6(10) . . . . ? 
 C23 C24 C25 C26 -56.0(10) . . . . ? 
 C24 C25 C26 C21 57.1(10) . . . . ? 
 C22 C21 C26 C25 -54.7(8) . . . . ? 
 P1 C21 C26 C25 175.8(6) . . . . ? 
 N2 P2 C31 C32 177.4(5) . . . . ? 
 C1 P2 C31 C32 64.9(6) . . . . ? 
 C41 P2 C31 C32 -61.2(6) . . . . ? 
 N2 P2 C31 C36 53.1(5) . . . . ? 
 C1 P2 C31 C36 -59.3(5) . . . . ? 
 C41 P2 C31 C36 174.6(5) . . . . ? 
 C36 C31 C32 C33 -55.3(8) . . . . ? 
 P2 C31 C32 C33 179.4(6) . . . . ? 
 C31 C32 C33 C34 54.7(9) . . . . ? 
 C32 C33 C34 C35 -55.3(9) . . . . ? 
 C33 C34 C35 C36 56.1(9) . . . . ? 
 C34 C35 C36 C31 -56.5(8) . . . . ? 
 C32 C31 C36 C35 56.6(8) . . . . ? 
 P2 C31 C36 C35 -178.1(5) . . . . ? 
 N2 P2 C41 C46 73.7(6) . . . . ? 
 C1 P2 C41 C46 -173.3(5) . . . . ? 
 C31 P2 C41 C46 -46.8(6) . . . . ? 
 N2 P2 C41 C42 -53.8(5) . . . . ? 
 C1 P2 C41 C42 59.1(6) . . . . ? 
 C31 P2 C41 C42 -174.4(5) . . . . ? 
 C46 C41 C42 C43 55.0(7) . . . . ? 
 P2 C41 C42 C43 -174.2(5) . . . . ? 
 C41 C42 C43 C44 -55.1(9) . . . . ? 
 C42 C43 C44 C45 54.1(9) . . . . ? 
 C43 C44 C45 C46 -54.1(10) . . . . ? 
 C44 C45 C46 C41 54.8(9) . . . . ? 
 C42 C41 C46 C45 -54.6(8) . . . . ? 
 P2 C41 C46 C45 177.6(5) . . . . ? 
  
_refine_diff_density_max    1.652 
_refine_diff_density_min    -.928 
_refine_diff_density_rms     .102