# Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry, 1999
# CCDC Number: 186/1541 
data_k13 
 
_audit_creation_method            SHELXL 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             '6.(BF4)37H2O7CH2Cl2' 
_chemical_formula_moiety          ? 
_chemical_formula_structural      ? 
_chemical_formula_analytical      ? 
_chemical_formula_sum             'C77 H64 B3 Cl2 Cu F12 N8 O P2 Ru' 
_chemical_formula_weight          1675.24 
_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'   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' 
 'B'  'B'   0.0013   0.0007 
 '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' 
 'F'  'F'   0.0171   0.0103 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Cu'  'Cu'   0.3201   1.2651 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Ru'  'Ru'  -1.2594   0.8363 
 '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' 
 'O'  'O'   0.0106   0.0060 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 
_symmetry_cell_setting            'triclinic'
_symmetry_space_group_name_H-M    'p - 1'
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, -y, -z' 
 
_cell_length_a                    11.676(6) 
_cell_length_b                    12.804(5) 
_cell_length_c                    27.340(12) 
_cell_angle_alpha                 102.48(4) 
_cell_angle_beta                  90.68(3) 
_cell_angle_gamma                 112.34(3) 
_cell_volume                      3671.2(29) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     25
_cell_measurement_theta_min       9
_cell_measurement_theta_max       14 
 
_exptl_crystal_description        'plate'
_exptl_crystal_colour             'red'
_exptl_crystal_size_max           .26
_exptl_crystal_size_mid           .25
_exptl_crystal_size_min           .24
_exptl_crystal_density_meas       'not measured'
_exptl_crystal_density_diffrn     1.515 
_exptl_crystal_density_method     ?
_exptl_crystal_F_000              1700 
_exptl_absorpt_coefficient_mu     0.695 
_exptl_absorpt_correction_type    'empirical via \y scans' 
_exptl_absorpt_correction_T_min   0.8401
_exptl_absorpt_correction_T_max   0.8510
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       293(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        'ENRAF-NONIUS CAD-4 '
_diffrn_measurement_method        '\w scans' 
_diffrn_standards_number          3
_diffrn_standards_interval_count  100 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         '<2%'
_diffrn_reflns_number             7224 
_diffrn_reflns_av_R_equivalents   0.0222 
_diffrn_reflns_av_sigmaI/netI     0.0371 
_diffrn_reflns_limit_h_min        0 
_diffrn_reflns_limit_h_max        10 
_diffrn_reflns_limit_k_min        -11 
_diffrn_reflns_limit_k_max        11 
_diffrn_reflns_limit_l_min        -26 
_diffrn_reflns_limit_l_max        26 
_diffrn_reflns_theta_min          1.53 
_diffrn_reflns_theta_max          20.00 
_reflns_number_total              6767 
_reflns_number_observed           5372 
_reflns_observed_criterion        >2sigma(I) 
 
_computing_data_collection        'NONIUS CAD4/PC' 
_computing_cell_refinement        'NONIUS CAD4/PC' 
_computing_data_reduction         'XCAD-4B (Harms, 1994)'      
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     'XPMA (Zsolnai, 1994)'
_computing_publication_material   'SHELXL-97 (Sheldrick, 1997)' 
 
_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^)+(0.0866P)^2^+10.2018P] 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          6766 
_refine_ls_number_parameters      991 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0662 
_refine_ls_R_factor_obs           0.0482 
_refine_ls_wR_factor_all          0.1387 
_refine_ls_wR_factor_obs          0.1265 
_refine_ls_goodness_of_fit_all    1.029 
_refine_ls_goodness_of_fit_obs    1.076 
_refine_ls_restrained_S_all       1.040 
_refine_ls_restrained_S_obs       1.076 
_refine_ls_shift/esd_max          -0.123 
_refine_ls_shift/esd_mean         0.003 
 
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 
Cu Cu 0.65283(8) 0.36140(7) 0.15544(3) 0.0284(3) Uani 1 d . . 
Ru Ru 0.72024(5) 0.77823(4) 0.37228(2) 0.0207(2) Uani 1 d . . 
N1 N 0.6662(5) 0.6624(4) 0.3011(2) 0.0206(13) Uani 1 d . . 
N2 N 0.8666(5) 0.8490(5) 0.3324(2) 0.0213(13) Uani 1 d . . 
N3 N 0.6584(5) 0.4685(5) 0.2252(2) 0.0266(14) Uani 1 d . . 
N4 N 0.8446(5) 0.4712(5) 0.1706(2) 0.0298(14) Uani 1 d . . 
N5 N 0.5742(5) 0.6917(5) 0.4087(2) 0.0210(13) Uani 1 d . . 
N6 N 0.7744(5) 0.6526(4) 0.3883(2) 0.0236(14) Uani 1 d . . 
N7 N 0.7838(5) 0.8931(5) 0.4415(2) 0.0256(14) Uani 1 d . . 
N8 N 0.6667(5) 0.9091(5) 0.3641(2) 0.0253(14) Uani 1 d . . 
P1 P 0.5381(2) 0.4091(2) 0.10428(7) 0.0325(5) Uani 1 d . . 
P2 P 0.6464(2) 0.1801(2) 0.14883(7) 0.0327(5) Uani 1 d . . 
O O 1.1282(5) 0.6302(5) 0.4924(2) 0.059(2) Uani 1 d . . 
C1 C 0.2182(6) 0.4656(6) 0.3105(3) 0.037(2) Uani 1 d . . 
H1A H 0.2335(6) 0.5400(6) 0.3325(3) 0.044 Uiso 1 d R . 
H1B H 0.1565(6) 0.4498(6) 0.2834(3) 0.044 Uiso 1 d R . 
H1C H 0.1889(6) 0.4064(6) 0.3291(3) 0.044 Uiso 1 d R . 
C2 C 0.3364(6) 0.4666(6) 0.2896(2) 0.028(2) Uani 1 d . . 
C3 C 0.4435(6) 0.5645(6) 0.3040(2) 0.023(2) Uani 1 d . . 
H3A H 0.4421(6) 0.6321(6) 0.3270(2) 0.027 Uiso 1 d R . 
C4 C 0.5556(6) 0.5660(5) 0.2851(2) 0.022(2) Uani 1 d . . 
C5 C 0.7644(6) 0.6649(5) 0.2739(2) 0.020(2) Uani 1 d . . 
C6 C 0.7618(6) 0.5652(6) 0.2388(2) 0.023(2) Uani 1 d . . 
C7 C 0.5547(6) 0.4682(6) 0.2479(2) 0.024(2) Uani 1 d . . 
C8 C 0.4449(6) 0.3680(6) 0.2350(2) 0.028(2) Uani 1 d . . 
H8A H 0.4449(6) 0.3006(6) 0.2113(2) 0.034 Uiso 1 d R . 
C9 C 0.3378(6) 0.3644(6) 0.2553(3) 0.029(2) Uani 1 d . . 
C10 C 0.2217(7) 0.2553(6) 0.2413(3) 0.041(2) Uani 1 d . . 
H10J H 0.2390(7) 0.1962(6) 0.2183(3) 0.050 Uiso 1 d R . 
H10K H 0.1939(7) 0.2291(6) 0.2710(3) 0.050 Uiso 1 d R . 
H10L H 0.1580(7) 0.2708(6) 0.2255(3) 0.050 Uiso 1 d R . 
C11 C 0.8668(6) 0.7821(6) 0.2865(3) 0.025(2) Uani 1 d . . 
C12 C 0.9481(6) 0.8251(6) 0.2523(3) 0.026(2) Uani 1 d . . 
H12A H 0.9427(6) 0.7781(6) 0.2191(3) 0.032 Uiso 1 d R . 
C13 C 1.0360(6) 0.9362(6) 0.2670(3) 0.027(2) Uani 1 d . . 
H13A H 1.0953(6) 0.9675(6) 0.2445(3) 0.033 Uiso 1 d R . 
C14 C 1.0389(6) 1.0034(6) 0.3147(3) 0.029(2) Uani 1 d . . 
H14A H 1.1019(6) 1.0806(6) 0.3255(3) 0.035 Uiso 1 d R . 
C15 C 0.9522(6) 0.9600(6) 0.3463(3) 0.024(2) Uani 1 d . . 
H15A H 0.9522(6) 1.0084(6) 0.3785(3) 0.029 Uiso 1 d R . 
C16 C 0.8722(6) 0.5502(6) 0.2153(3) 0.027(2) Uani 1 d . . 
C17 C 0.9911(6) 0.6010(6) 0.2402(3) 0.030(2) Uani 1 d . . 
H17A H 1.0083(6) 0.6528(6) 0.2730(3) 0.036 Uiso 1 d R . 
C18 C 1.0855(7) 0.5750(7) 0.2164(3) 0.039(2) Uani 1 d . . 
H18A H 1.1688(7) 0.6091(7) 0.2328(3) 0.047 Uiso 1 d R . 
C19 C 1.0587(8) 0.4997(7) 0.1691(3) 0.048(2) Uani 1 d . . 
H19A H 1.1232(8) 0.4832(7) 0.1519(3) 0.057 Uiso 1 d R . 
C20 C 0.9377(7) 0.4493(7) 0.1476(3) 0.038(2) Uani 1 d . . 
H20G H 0.9185(7) 0.3966(7) 0.1150(3) 0.046 Uiso 1 d R . 
C101 C 0.4776(6) 0.7227(6) 0.4201(2) 0.029(2) Uani 1 d . . 
H10C H 0.4785(6) 0.7935(6) 0.4135(2) 0.034 Uiso 1 d R . 
C102 C 0.3776(7) 0.6551(6) 0.4411(2) 0.034(2) Uani 1 d . . 
H10H H 0.3105(7) 0.6794(6) 0.4495(2) 0.041 Uiso 1 d R . 
C103 C 0.3756(7) 0.5532(7) 0.4499(3) 0.037(2) Uani 1 d . . 
H10F H 0.3053(7) 0.5036(7) 0.4632(3) 0.044 Uiso 1 d R . 
C104 C 0.4750(7) 0.5223(6) 0.4394(2) 0.032(2) Uani 1 d . . 
H10I H 0.4754(7) 0.4521(6) 0.4463(2) 0.038 Uiso 1 d R . 
C105 C 0.5743(6) 0.5926(6) 0.4187(2) 0.024(2) Uani 1 d . . 
C106 C 0.6877(6) 0.5713(6) 0.4082(2) 0.025(2) Uani 1 d . . 
C107 C 0.7113(7) 0.4787(6) 0.4175(2) 0.030(2) Uani 1 d . . 
H10D H 0.6488(7) 0.4203(6) 0.4305(2) 0.037 Uiso 1 d R . 
C108 C 0.8219(7) 0.4694(6) 0.4086(3) 0.035(2) Uani 1 d . . 
H10G H 0.8381(7) 0.4058(6) 0.4156(3) 0.042 Uiso 1 d R . 
C109 C 0.9104(7) 0.5526(7) 0.3893(3) 0.036(2) Uani 1 d . . 
H10E H 0.9889(7) 0.5474(7) 0.3826(3) 0.043 Uiso 1 d R . 
C110 C 0.8848(6) 0.6427(6) 0.3798(2) 0.028(2) Uani 1 d . . 
H11C H 0.9469(6) 0.7009(6) 0.3666(2) 0.034 Uiso 1 d R . 
C201 C 0.8359(6) 0.8735(7) 0.4812(3) 0.034(2) Uani 1 d . . 
H20B H 0.8532(6) 0.8046(7) 0.4765(3) 0.041 Uiso 1 d R . 
C202 C 0.8651(7) 0.9489(8) 0.5283(3) 0.043(2) Uani 1 d . . 
H20D H 0.9016(7) 0.9318(8) 0.5556(3) 0.051 Uiso 1 d R . 
C203 C 0.8417(7) 1.0485(8) 0.5361(3) 0.050(2) Uani 1 d . . 
H20C H 0.8628(7) 1.1017(8) 0.5686(3) 0.059 Uiso 1 d R . 
C204 C 0.7880(7) 1.0709(7) 0.4967(3) 0.043(2) Uani 1 d . . 
H20A H 0.7693(7) 1.1390(7) 0.5014(3) 0.051 Uiso 1 d R . 
C205 C 0.7609(6) 0.9920(6) 0.4493(2) 0.029(2) Uani 1 d . . 
C206 C 0.7019(6) 1.0041(6) 0.4045(3) 0.030(2) Uani 1 d . . 
C207 C 0.6856(7) 1.1037(7) 0.4017(3) 0.042(2) Uani 1 d . . 
H20H H 0.7113(7) 1.1694(7) 0.4301(3) 0.051 Uiso 1 d R . 
C208 C 0.6328(7) 1.1078(7) 0.3580(4) 0.049(2) Uani 1 d . . 
H20F H 0.6210(7) 1.1766(7) 0.3551(4) 0.059 Uiso 1 d R . 
C209 C 0.5954(7) 1.0107(7) 0.3173(3) 0.045(2) Uani 1 d . . 
H20E H 0.5573(7) 1.0125(7) 0.2863(3) 0.054 Uiso 1 d R . 
C210 C 0.6131(6) 0.9132(6) 0.3216(3) 0.033(2) Uani 1 d . . 
H21A H 0.5867(6) 0.8466(6) 0.2935(3) 0.040 Uiso 1 d R . 
C111 C 0.6077(7) 0.4140(6) 0.0458(3) 0.038(2) Uani 1 d . . 
C112 C 0.5483(8) 0.3436(7) -0.0016(3) 0.047(2) Uani 1 d . . 
H11E H 0.4604(8) 0.2980(7) -0.0051(3) 0.056 Uiso 1 d R . 
C113 C 0.6133(9) 0.3381(7) -0.0436(3) 0.051(2) Uani 1 d . . 
H11F H 0.5698(9) 0.2892(7) -0.0755(3) 0.061 Uiso 1 d R . 
C114 C 0.7396(8) 0.4022(7) -0.0401(3) 0.045(2) Uani 1 d . . 
H11D H 0.7841(8) 0.3979(7) -0.0693(3) 0.054 Uiso 1 d R . 
C115 C 0.8011(8) 0.4724(7) 0.0056(3) 0.050(2) Uani 1 d . . 
H11B H 0.8888(8) 0.5184(7) 0.0086(3) 0.060 Uiso 1 d R . 
C116 C 0.7335(8) 0.4763(7) 0.0486(3) 0.040(2) Uani 1 d . . 
H11A H 0.7776(8) 0.5242(7) 0.0805(3) 0.048 Uiso 1 d R . 
C121 C 0.3740(7) 0.3184(6) 0.0879(3) 0.037(2) Uani 1 d . . 
C122 C 0.2983(7) 0.3461(7) 0.0586(3) 0.047(2) Uani 1 d . . 
H12C H 0.3341(7) 0.4120(7) 0.0441(3) 0.056 Uiso 1 d R . 
C123 C 0.1711(8) 0.2807(8) 0.0496(3) 0.057(2) Uani 1 d . . 
H12E H 0.1201(8) 0.2998(8) 0.0281(3) 0.068 Uiso 1 d R . 
C124 C 0.1179(7) 0.1879(8) 0.0714(3) 0.054(2) Uani 1 d . . 
H12F H 0.0296(7) 0.1435(8) 0.0659(3) 0.064 Uiso 1 d R . 
C125 C 0.1921(7) 0.1593(7) 0.1011(3) 0.048(2) Uani 1 d . . 
H12D H 0.1549(7) 0.0960(7) 0.1170(3) 0.057 Uiso 1 d R . 
C126 C 0.3194(7) 0.2207(6) 0.1082(3) 0.036(2) Uani 1 d . . 
H12B H 0.3709(7) 0.1968(6) 0.1271(3) 0.043 Uiso 1 d R . 
C131 C 0.5342(6) 0.5517(6) 0.1315(3) 0.028(2) Uani 1 d . . 
C132 C 0.6307(7) 0.6544(7) 0.1298(3) 0.045(2) Uani 1 d . . 
H13C H 0.6989(7) 0.6519(7) 0.1110(3) 0.054 Uiso 1 d R . 
C133 C 0.6316(7) 0.7620(7) 0.1550(3) 0.051(2) Uani 1 d . . 
H13F H 0.6999(7) 0.8319(7) 0.1529(3) 0.061 Uiso 1 d R . 
C134 C 0.5361(7) 0.7696(7) 0.1825(3) 0.043(2) Uani 1 d . . 
H13D H 0.5366(7) 0.8436(7) 0.1996(3) 0.052 Uiso 1 d R . 
C135 C 0.4403(7) 0.6681(7) 0.1850(3) 0.043(2) Uani 1 d . . 
H13B H 0.3725(7) 0.6712(7) 0.2040(3) 0.052 Uiso 1 d R . 
C136 C 0.4398(7) 0.5616(6) 0.1605(3) 0.039(2) Uani 1 d . . 
H13E H 0.3722(7) 0.4920(6) 0.1635(3) 0.047 Uiso 1 d R . 
C211 C 0.5013(6) 0.0665(5) 0.1586(3) 0.029(2) Uani 1 d . . 
C212 C 0.4218(7) -0.0183(7) 0.1189(3) 0.045(2) Uani 1 d . . 
H21B H 0.4439(7) -0.0194(7) 0.0852(3) 0.054 Uiso 1 d R . 
C213 C 0.3127(7) -0.1004(7) 0.1268(3) 0.045(2) Uani 1 d . . 
H21E H 0.2593(7) -0.1588(7) 0.0988(3) 0.054 Uiso 1 d R . 
C214 C 0.2787(7) -0.0996(7) 0.1756(3) 0.048(2) Uani 1 d . . 
H21F H 0.2017(7) -0.1571(7) 0.1811(3) 0.058 Uiso 1 d R . 
C215 C 0.3556(7) -0.0165(7) 0.2155(3) 0.046(2) Uani 1 d . . 
H21C H 0.3333(7) -0.0159(7) 0.2493(3) 0.055 Uiso 1 d R . 
C216 C 0.4667(7) 0.0674(7) 0.2067(3) 0.040(2) Uani 1 d . . 
H21D H 0.5199(7) 0.1266(7) 0.2345(3) 0.048 Uiso 1 d R . 
C221 C 0.6895(6) 0.1198(6) 0.0890(3) 0.035(2) Uani 1 d . . 
C222 C 0.6914(7) 0.0074(6) 0.0737(3) 0.042(2) Uani 1 d . . 
H22E H 0.6567(7) -0.0479(6) 0.0938(3) 0.050 Uiso 1 d R . 
C223 C 0.7431(7) -0.0243(7) 0.0300(3) 0.046(2) Uani 1 d . . 
H22C H 0.7455(7) -0.1001(7) 0.0207(3) 0.056 Uiso 1 d R . 
C224 C 0.7908(7) 0.0536(7) 0.0005(3) 0.048(2) Uani 1 d . . 
H22D H 0.8265(7) 0.0316(7) -0.0295(3) 0.058 Uiso 1 d R . 
C225 C 0.7878(7) 0.1641(7) 0.0135(3) 0.044(2) Uani 1 d . . 
H22A H 0.8209(7) 0.2178(7) -0.0074(3) 0.052 Uiso 1 d R . 
C226 C 0.7360(7) 0.1952(6) 0.0573(3) 0.034(2) Uani 1 d . . 
H22B H 0.7325(7) 0.2706(6) 0.0659(3) 0.041 Uiso 1 d R . 
C231 C 0.7561(6) 0.1820(6) 0.1977(3) 0.026(2) Uani 1 d . . 
C232 C 0.7748(7) 0.2619(6) 0.2439(3) 0.039(2) Uani 1 d . . 
H23E H 0.7340(7) 0.3152(6) 0.2480(3) 0.047 Uiso 1 d R . 
C233 C 0.8515(7) 0.2656(7) 0.2842(3) 0.041(2) Uani 1 d . . 
H23D H 0.8663(7) 0.3224(7) 0.3155(3) 0.049 Uiso 1 d R . 
C234 C 0.9049(7) 0.1864(7) 0.2780(3) 0.040(2) Uani 1 d . . 
H23C H 0.9522(7) 0.1829(7) 0.3061(3) 0.048 Uiso 1 d R . 
C235 C 0.8917(7) 0.1099(7) 0.2311(3) 0.055(2) Uani 1 d . . 
H23B H 0.9364(7) 0.0598(7) 0.2264(3) 0.065 Uiso 1 d R . 
C236 C 0.8158(7) 0.1065(6) 0.1919(3) 0.045(2) Uani 1 d . . 
H23A H 0.8039(7) 0.0513(6) 0.1604(3) 0.054 Uiso 1 d R . 
B1 B 0.9601(9) 0.8140(12) 0.1087(4) 0.065(3) Uani 1 d . . 
F11 F 1.0172(6) 0.9181(6) 0.1449(2) 0.103(2) Uani 1 d . . 
F12 F 1.0381(5) 0.8067(8) 0.0733(2) 0.137(3) Uani 1 d . . 
F13 F 0.8549(5) 0.8107(6) 0.0864(2) 0.105(2) Uani 1 d . . 
F14 F 0.9325(5) 0.7244(4) 0.1331(2) 0.0624(13) Uani 1 d . . 
B2 B 0.9246(10) 0.7005(10) 0.5705(5) 0.054(3) Uani 1 d . . 
F21 F 0.9329(5) 0.6002(5) 0.5799(2) 0.080(2) Uani 1 d . . 
F22 F 0.8388(8) 0.7255(9) 0.5996(5) 0.073(4) Uani 0.75 d P . 
F23 F 1.0327(8) 0.7905(8) 0.5837(5) 0.099(4) Uani 0.75 d P . 
F24 F 0.8959(9) 0.6695(6) 0.5214(3) 0.069(2) Uani 0.75 d P . 
F222 F 0.9230(107) 0.7681(52) 0.6050(19) 0.306(55) Uani 0.25 d P . 
F223 F 1.0159(53) 0.7465(72) 0.5386(24) 0.463(76) Uani 0.25 d P . 
F224 F 0.8088(22) 0.6830(15) 0.5340(8) 0.058(5) Uani 0.25 d P . 
B3 B 0.7332(8) 1.1843(7) 0.6572(4) 0.037(2) Uani 1 d . . 
F31 F 0.8396(6) 1.2566(5) 0.6445(3) 0.127(3) Uani 1 d . . 
F32 F 0.6842(4) 1.2462(4) 0.6918(2) 0.0626(13) Uani 1 d . . 
F33 F 0.6507(4) 1.1206(4) 0.6149(2) 0.0622(13) Uani 1 d . . 
F34 F 0.7572(7) 1.1064(6) 0.6772(2) 0.112(2) Uani 1 d . . 
C300 C 0.6443(7) 0.8434(7) 0.6099(3) 0.052(2) Uani 1 d . . 
H10A H 0.6478(7) 0.9205(7) 0.6230(3) 0.063 Uiso 1 d R . 
H10B H 0.7273(7) 0.8491(7) 0.6042(3) 0.063 Uiso 1 d R . 
Cl1 Cl 0.5505(2) 0.7843(2) 0.55276(7) 0.0426(5) Uani 1 d . . 
Cl2 Cl 0.5897(2) 0.7614(2) 0.65538(8) 0.0537(6) Uani 1 d . . 
 
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 
Cu 0.0344(6) 0.0265(5) 0.0273(5) 0.0042(4) 0.0011(4) 0.0163(4) 
Ru 0.0197(4) 0.0207(4) 0.0205(4) 0.0054(3) 0.0036(2) 0.0063(3) 
N1 0.027(4) 0.020(3) 0.019(3) 0.005(3) 0.003(3) 0.013(3) 
N2 0.023(3) 0.024(4) 0.014(3) 0.003(3) 0.001(2) 0.007(3) 
N3 0.020(4) 0.025(4) 0.031(3) 0.006(3) -0.001(3) 0.005(3) 
N4 0.029(4) 0.038(4) 0.027(4) 0.008(3) 0.005(3) 0.016(3) 
N5 0.019(3) 0.024(4) 0.017(3) 0.001(3) 0.007(2) 0.006(3) 
N6 0.027(4) 0.022(3) 0.018(3) 0.003(3) -0.001(3) 0.007(3) 
N7 0.023(3) 0.021(4) 0.028(4) 0.004(3) 0.008(3) 0.004(3) 
N8 0.023(3) 0.023(4) 0.027(4) 0.006(3) 0.007(3) 0.006(3) 
P1 0.0375(12) 0.0261(11) 0.0341(12) 0.0045(9) -0.0043(9) 0.0143(9) 
P2 0.0468(13) 0.0298(11) 0.0289(11) 0.0074(9) 0.0060(9) 0.0228(10) 
O 0.055(4) 0.068(4) 0.060(4) 0.022(3) 0.023(3) 0.027(3) 
C1 0.026(5) 0.036(5) 0.044(5) 0.010(4) 0.006(4) 0.007(4) 
C2 0.023(5) 0.031(5) 0.029(4) 0.010(4) 0.000(3) 0.008(4) 
C3 0.018(4) 0.024(4) 0.023(4) 0.003(3) -0.001(3) 0.007(4) 
C4 0.018(4) 0.022(4) 0.027(4) 0.008(3) -0.001(3) 0.006(4) 
C5 0.027(4) 0.023(4) 0.014(4) 0.002(3) 0.005(3) 0.017(4) 
C6 0.023(4) 0.033(5) 0.021(4) 0.013(4) 0.005(3) 0.016(4) 
C7 0.024(5) 0.022(4) 0.025(4) 0.003(3) 0.002(3) 0.010(4) 
C8 0.032(5) 0.020(4) 0.029(4) 0.002(3) 0.002(4) 0.008(4) 
C9 0.022(5) 0.024(4) 0.035(4) 0.009(4) 0.001(4) 0.002(3) 
C10 0.033(5) 0.030(5) 0.050(5) 0.003(4) -0.001(4) 0.004(4) 
C11 0.017(4) 0.029(4) 0.031(5) 0.012(4) 0.001(3) 0.010(4) 
C12 0.026(4) 0.022(4) 0.030(4) 0.006(3) 0.006(4) 0.010(4) 
C13 0.023(4) 0.036(5) 0.032(5) 0.018(4) 0.010(3) 0.016(4) 
C14 0.018(4) 0.029(4) 0.039(5) 0.014(4) -0.001(4) 0.004(3) 
C15 0.017(4) 0.022(4) 0.029(4) 0.007(3) 0.000(3) 0.002(3) 
C16 0.032(5) 0.029(4) 0.024(4) 0.013(4) 0.002(4) 0.011(4) 
C17 0.030(5) 0.031(4) 0.030(4) 0.011(3) 0.002(4) 0.013(4) 
C18 0.019(4) 0.055(5) 0.048(6) 0.014(4) 0.010(4) 0.018(4) 
C19 0.042(6) 0.068(6) 0.044(6) 0.011(5) 0.018(4) 0.035(5) 
C20 0.033(5) 0.047(5) 0.037(5) 0.004(4) 0.005(4) 0.022(4) 
C101 0.027(4) 0.034(4) 0.021(4) 0.006(3) 0.009(3) 0.008(4) 
C102 0.033(5) 0.038(5) 0.027(4) 0.000(4) 0.008(4) 0.013(4) 
C103 0.029(5) 0.040(5) 0.031(5) 0.008(4) 0.012(4) 0.003(4) 
C104 0.034(5) 0.028(4) 0.032(4) 0.012(4) 0.009(4) 0.008(4) 
C105 0.026(5) 0.021(4) 0.019(4) 0.003(3) 0.001(3) 0.004(3) 
C106 0.027(4) 0.022(4) 0.023(4) 0.002(3) 0.001(3) 0.008(4) 
C107 0.029(5) 0.026(5) 0.032(4) 0.009(3) 0.001(3) 0.006(4) 
C108 0.039(5) 0.029(5) 0.040(5) 0.016(4) 0.000(4) 0.012(4) 
C109 0.037(5) 0.046(5) 0.034(5) 0.007(4) -0.001(4) 0.027(4) 
C110 0.019(4) 0.039(5) 0.030(4) 0.009(4) 0.004(3) 0.013(4) 
C201 0.021(4) 0.048(5) 0.022(5) 0.009(4) 0.005(3) 0.001(4) 
C202 0.029(5) 0.056(6) 0.029(5) 0.004(4) 0.002(4) 0.003(4) 
C203 0.035(5) 0.056(6) 0.028(5) -0.006(4) 0.008(4) -0.006(4) 
C204 0.035(5) 0.034(5) 0.046(6) 0.000(4) 0.016(4) 0.004(4) 
C205 0.024(4) 0.026(5) 0.025(5) -0.005(4) 0.006(3) 0.001(3) 
C206 0.021(4) 0.017(4) 0.055(6) 0.017(4) 0.019(4) 0.006(3) 
C207 0.034(5) 0.033(5) 0.057(6) 0.010(4) 0.012(4) 0.009(4) 
C208 0.047(5) 0.032(5) 0.079(7) 0.018(5) 0.028(5) 0.026(4) 
C209 0.043(5) 0.050(6) 0.055(6) 0.030(5) 0.009(4) 0.022(4) 
C210 0.036(5) 0.029(5) 0.041(5) 0.011(4) 0.006(4) 0.016(4) 
C111 0.025(5) 0.029(4) 0.063(6) 0.011(4) -0.004(4) 0.013(4) 
C112 0.052(5) 0.039(5) 0.048(6) 0.009(4) -0.008(5) 0.018(4) 
C113 0.081(8) 0.058(6) 0.033(5) 0.016(4) 0.013(5) 0.044(6) 
C114 0.062(7) 0.047(5) 0.043(6) 0.024(5) 0.025(5) 0.032(5) 
C115 0.058(6) 0.044(5) 0.056(6) 0.021(5) 0.005(5) 0.025(5) 
C116 0.072(7) 0.045(5) 0.021(4) 0.014(4) 0.010(4) 0.037(5) 
C121 0.040(5) 0.030(5) 0.040(5) 0.000(4) -0.008(4) 0.018(4) 
C122 0.042(6) 0.035(5) 0.057(6) 0.007(4) -0.005(4) 0.011(4) 
C123 0.045(6) 0.049(6) 0.077(7) 0.011(5) -0.009(5) 0.022(5) 
C124 0.023(5) 0.057(6) 0.070(6) -0.002(5) -0.006(5) 0.014(5) 
C125 0.036(6) 0.039(5) 0.053(5) -0.001(4) 0.006(4) 0.005(4) 
C126 0.039(5) 0.034(5) 0.035(5) 0.007(4) 0.006(4) 0.015(4) 
C131 0.023(4) 0.025(5) 0.035(4) 0.005(3) -0.002(4) 0.011(4) 
C132 0.037(5) 0.035(5) 0.070(6) 0.013(4) 0.016(4) 0.020(4) 
C133 0.040(5) 0.027(5) 0.082(7) 0.010(5) 0.018(5) 0.010(4) 
C134 0.048(5) 0.032(5) 0.051(5) 0.005(4) 0.002(4) 0.021(5) 
C135 0.042(5) 0.048(6) 0.052(5) 0.022(4) 0.016(4) 0.026(5) 
C136 0.033(5) 0.027(5) 0.055(5) 0.014(4) 0.003(4) 0.007(4) 
C211 0.028(4) 0.016(4) 0.034(5) 0.001(4) -0.015(4) 0.004(3) 
C212 0.045(6) 0.052(5) 0.044(5) 0.014(5) 0.013(4) 0.024(5) 
C213 0.032(5) 0.043(5) 0.056(6) 0.006(4) 0.001(4) 0.014(4) 
C214 0.038(5) 0.047(5) 0.058(6) 0.013(5) 0.005(5) 0.014(4) 
C215 0.036(5) 0.053(6) 0.050(6) 0.017(5) 0.007(4) 0.015(5) 
C216 0.038(5) 0.042(5) 0.038(5) 0.011(4) -0.001(4) 0.013(4) 
C221 0.037(5) 0.036(5) 0.032(4) 0.008(4) 0.001(4) 0.015(4) 
C222 0.056(5) 0.034(5) 0.040(5) 0.010(4) 0.011(4) 0.021(4) 
C223 0.056(6) 0.040(5) 0.043(5) -0.002(4) 0.006(4) 0.026(4) 
C224 0.054(6) 0.056(6) 0.037(5) 0.013(5) 0.013(4) 0.024(5) 
C225 0.060(6) 0.046(6) 0.037(5) 0.016(4) 0.015(4) 0.030(4) 
C226 0.047(5) 0.028(4) 0.030(5) 0.009(4) 0.000(4) 0.016(4) 
C231 0.026(4) 0.019(4) 0.032(5) 0.005(4) 0.005(3) 0.008(3) 
C232 0.050(5) 0.042(5) 0.037(5) 0.014(4) 0.003(4) 0.027(4) 
C233 0.051(5) 0.035(5) 0.035(5) 0.003(4) 0.001(4) 0.019(4) 
C234 0.030(5) 0.048(5) 0.041(5) 0.013(4) -0.006(4) 0.013(4) 
C235 0.041(5) 0.055(6) 0.072(7) 0.007(5) -0.008(5) 0.029(4) 
C236 0.049(5) 0.031(5) 0.051(5) -0.003(4) -0.013(4) 0.019(4) 
B1 0.022(6) 0.110(11) 0.043(7) 0.013(7) 0.002(6) 0.007(6) 
F11 0.106(5) 0.093(5) 0.099(5) 0.049(4) 0.005(4) 0.013(4) 
F12 0.050(4) 0.284(10) 0.061(4) 0.050(5) 0.026(3) 0.043(5) 
F13 0.056(4) 0.160(6) 0.118(5) 0.101(5) 0.014(3) 0.027(4) 
F14 0.078(4) 0.074(3) 0.045(3) 0.018(3) 0.003(3) 0.038(3) 
B2 0.056(8) 0.031(7) 0.061(9) 0.018(6) 0.003(6) -0.001(6) 
F21 0.063(4) 0.068(4) 0.125(5) 0.031(3) 0.029(3) 0.039(3) 
F22 0.062(5) 0.059(6) 0.114(10) 0.025(6) 0.064(6) 0.036(4) 
F23 0.058(5) 0.056(6) 0.119(9) -0.032(5) 0.035(5) -0.021(5) 
F24 0.095(7) 0.075(5) 0.043(5) 0.006(4) -0.006(4) 0.044(5) 
F222 0.775(173) 0.130(50) 0.089(36) -0.044(36) -0.066(79) 0.300(86) 
F223 0.274(65) 0.542(109) 0.259(58) 0.323(73) -0.106(52) -0.300(77) 
F224 0.074(15) 0.039(12) 0.060(15) 0.015(10) -0.003(12) 0.019(11) 
B3 0.028(6) 0.028(5) 0.054(6) 0.006(5) 0.002(5) 0.010(5) 
F31 0.073(4) 0.098(5) 0.122(5) -0.034(4) 0.062(4) -0.031(4) 
F32 0.054(3) 0.048(3) 0.076(3) -0.007(3) 0.023(3) 0.021(2) 
F33 0.048(3) 0.080(3) 0.054(3) 0.003(3) -0.012(3) 0.027(3) 
F34 0.170(7) 0.112(5) 0.091(4) 0.005(4) -0.030(4) 0.107(5) 
C300 0.048(5) 0.052(5) 0.045(5) 0.019(4) -0.005(4) 0.003(4) 
Cl1 0.0430(12) 0.0396(12) 0.0414(12) 0.0119(9) 0.0025(9) 0.0110(9) 
Cl2 0.0564(14) 0.0636(14) 0.0465(13) 0.0216(11) 0.0067(10) 0.0247(11) 
 
_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 
Cu N3 2.078(6) . ? 
Cu N4 2.120(6) . ? 
Cu P1 2.251(2) . ? 
Cu P2 2.262(2) . ? 
Ru N8 2.050(5) . ? 
Ru N5 2.051(5) . ? 
Ru N2 2.055(5) . ? 
Ru N7 2.057(5) . ? 
Ru N6 2.062(5) . ? 
Ru N1 2.098(5) . ? 
N1 C5 1.367(8) . ? 
N1 C4 1.387(8) . ? 
N2 C15 1.357(8) . ? 
N2 C11 1.358(8) . ? 
N3 C6 1.336(8) . ? 
N3 C7 1.366(8) . ? 
N4 C20 1.351(9) . ? 
N4 C16 1.354(9) . ? 
N5 C101 1.349(8) . ? 
N5 C105 1.355(8) . ? 
N6 C110 1.360(8) . ? 
N6 C106 1.364(8) . ? 
N7 C201 1.354(9) . ? 
N7 C205 1.364(9) . ? 
N8 C210 1.335(9) . ? 
N8 C206 1.377(9) . ? 
P1 C111 1.804(8) . ? 
P1 C121 1.812(8) . ? 
P1 C131 1.835(7) . ? 
P2 C221 1.815(7) . ? 
P2 C231 1.828(7) . ? 
P2 C211 1.833(7) . ? 
C1 C2 1.497(9) . ? 
C2 C3 1.368(9) . ? 
C2 C9 1.441(10) . ? 
C3 C4 1.407(9) . ? 
C4 C7 1.430(9) . ? 
C5 C6 1.411(9) . ? 
C5 C11 1.484(9) . ? 
C6 C16 1.505(10) . ? 
C7 C8 1.399(9) . ? 
C8 C9 1.363(9) . ? 
C9 C10 1.501(10) . ? 
C11 C12 1.388(9) . ? 
C12 C13 1.368(9) . ? 
C13 C14 1.391(10) . ? 
C14 C15 1.373(9) . ? 
C16 C17 1.383(9) . ? 
C17 C18 1.397(10) . ? 
C18 C19 1.386(10) . ? 
C19 C20 1.371(10) . ? 
C101 C102 1.380(9) . ? 
C102 C103 1.368(10) . ? 
C103 C104 1.377(10) . ? 
C104 C105 1.384(9) . ? 
C105 C106 1.471(10) . ? 
C106 C107 1.387(9) . ? 
C107 C108 1.361(10) . ? 
C108 C109 1.378(10) . ? 
C109 C110 1.371(10) . ? 
C201 C202 1.380(10) . ? 
C202 C203 1.376(11) . ? 
C203 C204 1.376(11) . ? 
C204 C205 1.408(10) . ? 
C205 C206 1.462(10) . ? 
C206 C207 1.378(10) . ? 
C207 C208 1.357(11) . ? 
C208 C209 1.397(11) . ? 
C209 C210 1.370(10) . ? 
C111 C116 1.372(10) . ? 
C111 C112 1.404(11) . ? 
C112 C113 1.388(11) . ? 
C113 C114 1.379(11) . ? 
C114 C115 1.375(11) . ? 
C115 C116 1.424(11) . ? 
C121 C122 1.376(10) . ? 
C121 C126 1.410(10) . ? 
C122 C123 1.387(11) . ? 
C123 C124 1.382(12) . ? 
C124 C125 1.378(11) . ? 
C125 C126 1.380(10) . ? 
C131 C132 1.378(10) . ? 
C131 C136 1.394(10) . ? 
C132 C133 1.397(11) . ? 
C133 C134 1.375(11) . ? 
C134 C135 1.370(10) . ? 
C135 C136 1.382(10) . ? 
C211 C216 1.379(10) . ? 
C211 C212 1.385(10) . ? 
C212 C213 1.364(11) . ? 
C213 C214 1.394(11) . ? 
C214 C215 1.371(11) . ? 
C215 C216 1.400(10) . ? 
C221 C226 1.397(10) . ? 
C221 C222 1.419(10) . ? 
C222 C223 1.396(10) . ? 
C223 C224 1.375(11) . ? 
C224 C225 1.396(11) . ? 
C225 C226 1.398(10) . ? 
C231 C236 1.377(10) . ? 
C231 C232 1.400(10) . ? 
C232 C233 1.392(10) . ? 
C233 C234 1.362(10) . ? 
C234 C235 1.403(11) . ? 
C235 C236 1.364(11) . ? 
B1 F13 1.347(11) . ? 
B1 F12 1.351(12) . ? 
B1 F14 1.384(13) . ? 
B1 F11 1.392(13) . ? 
B2 F222 1.14(5) . ? 
B2 F24 1.315(13) . ? 
B2 F23 1.325(14) . ? 
B2 F223 1.42(5) . ? 
B2 F22 1.38(2) . ? 
B2 F21 1.400(12) . ? 
B2 F224 1.58(2) . ? 
F22 F222 0.92(12) . ? 
F22 F224 1.75(2) . ? 
F23 F223 1.22(7) . ? 
F23 F222 1.37(11) . ? 
F24 F224 1.14(2) . ? 
F24 F223 1.38(4) . ? 
B3 F31 1.339(10) . ? 
B3 F34 1.349(10) . ? 
B3 F32 1.373(10) . ? 
B3 F33 1.378(10) . ? 
C300 Cl1 1.742(8) . ? 
C300 Cl2 1.768(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 
N3 Cu N4 78.1(2) . . ? 
N3 Cu P1 102.9(2) . . ? 
N4 Cu P1 116.2(2) . . ? 
N3 Cu P2 121.0(2) . . ? 
N4 Cu P2 104.8(2) . . ? 
P1 Cu P2 124.87(9) . . ? 
N8 Ru N5 98.2(2) . . ? 
N8 Ru N2 86.6(2) . . ? 
N5 Ru N2 174.3(2) . . ? 
N8 Ru N7 78.3(2) . . ? 
N5 Ru N7 84.3(2) . . ? 
N2 Ru N7 99.9(2) . . ? 
N8 Ru N6 174.1(2) . . ? 
N5 Ru N6 78.9(2) . . ? 
N2 Ru N6 96.7(2) . . ? 
N7 Ru N6 96.3(2) . . ? 
N8 Ru N1 103.3(2) . . ? 
N5 Ru N1 98.3(2) . . ? 
N2 Ru N1 77.4(2) . . ? 
N7 Ru N1 176.7(2) . . ? 
N6 Ru N1 82.2(2) . . ? 
C5 N1 C4 116.4(5) . . ? 
C5 N1 Ru 113.1(4) . . ? 
C4 N1 Ru 127.7(4) . . ? 
C15 N2 C11 119.1(5) . . ? 
C15 N2 Ru 124.5(4) . . ? 
C11 N2 Ru 116.0(4) . . ? 
C6 N3 C7 117.2(5) . . ? 
C6 N3 Cu 115.2(4) . . ? 
C7 N3 Cu 123.7(4) . . ? 
C20 N4 C16 119.0(6) . . ? 
C20 N4 Cu 125.6(5) . . ? 
C16 N4 Cu 113.0(4) . . ? 
C101 N5 C105 119.3(5) . . ? 
C101 N5 Ru 125.0(4) . . ? 
C105 N5 Ru 115.6(4) . . ? 
C110 N6 C106 118.6(6) . . ? 
C110 N6 Ru 126.3(4) . . ? 
C106 N6 Ru 115.1(4) . . ? 
C201 N7 C205 117.5(6) . . ? 
C201 N7 Ru 125.1(5) . . ? 
C205 N7 Ru 117.0(4) . . ? 
C210 N8 C206 119.0(6) . . ? 
C210 N8 Ru 124.8(5) . . ? 
C206 N8 Ru 115.8(4) . . ? 
C111 P1 C121 106.6(3) . . ? 
C111 P1 C131 108.7(3) . . ? 
C121 P1 C131 101.7(3) . . ? 
C111 P1 Cu 107.9(2) . . ? 
C121 P1 Cu 119.5(3) . . ? 
C131 P1 Cu 111.9(2) . . ? 
C221 P2 C231 106.5(3) . . ? 
C221 P2 C211 105.5(3) . . ? 
C231 P2 C211 101.8(3) . . ? 
C221 P2 Cu 113.3(2) . . ? 
C231 P2 Cu 109.9(2) . . ? 
C211 P2 Cu 118.7(2) . . ? 
C3 C2 C9 120.3(6) . . ? 
C3 C2 C1 119.5(6) . . ? 
C9 C2 C1 120.2(6) . . ? 
C2 C3 C4 120.0(6) . . ? 
N1 C4 C3 120.9(6) . . ? 
N1 C4 C7 119.6(6) . . ? 
C3 C4 C7 119.5(6) . . ? 
N1 C5 C6 121.5(6) . . ? 
N1 C5 C11 111.4(5) . . ? 
C6 C5 C11 127.1(6) . . ? 
N3 C6 C5 122.1(6) . . ? 
N3 C6 C16 111.9(6) . . ? 
C5 C6 C16 125.8(6) . . ? 
N3 C7 C8 118.9(6) . . ? 
N3 C7 C4 122.1(6) . . ? 
C8 C7 C4 119.0(6) . . ? 
C9 C8 C7 121.2(6) . . ? 
C8 C9 C2 119.6(6) . . ? 
C8 C9 C10 120.1(6) . . ? 
C2 C9 C10 120.4(6) . . ? 
N2 C11 C12 122.2(6) . . ? 
N2 C11 C5 114.6(5) . . ? 
C12 C11 C5 122.9(6) . . ? 
C13 C12 C11 118.3(6) . . ? 
C12 C13 C14 119.5(6) . . ? 
C15 C14 C13 120.4(6) . . ? 
N2 C15 C14 120.3(6) . . ? 
N4 C16 C17 121.6(6) . . ? 
N4 C16 C6 115.0(6) . . ? 
C17 C16 C6 122.8(6) . . ? 
C16 C17 C18 118.3(7) . . ? 
C19 C18 C17 120.0(7) . . ? 
C20 C19 C18 118.3(7) . . ? 
N4 C20 C19 122.5(7) . . ? 
N5 C101 C102 121.8(7) . . ? 
C103 C102 C101 119.0(7) . . ? 
C102 C103 C104 119.6(7) . . ? 
C103 C104 C105 119.8(7) . . ? 
N5 C105 C104 120.4(6) . . ? 
N5 C105 C106 115.0(6) . . ? 
C104 C105 C106 124.5(6) . . ? 
N6 C106 C107 120.0(6) . . ? 
N6 C106 C105 114.6(6) . . ? 
C107 C106 C105 125.4(6) . . ? 
C108 C107 C106 120.9(6) . . ? 
C107 C108 C109 119.2(7) . . ? 
C110 C109 C108 119.1(7) . . ? 
N6 C110 C109 122.3(6) . . ? 
N7 C201 C202 122.3(7) . . ? 
C203 C202 C201 120.1(8) . . ? 
C204 C203 C202 119.2(7) . . ? 
C203 C204 C205 118.7(8) . . ? 
N7 C205 C204 122.1(7) . . ? 
N7 C205 C206 113.5(6) . . ? 
C204 C205 C206 124.3(7) . . ? 
C207 C206 N8 121.6(7) . . ? 
C207 C206 C205 123.4(7) . . ? 
N8 C206 C205 115.0(6) . . ? 
C208 C207 C206 119.1(8) . . ? 
C207 C208 C209 119.3(7) . . ? 
C210 C209 C208 120.0(7) . . ? 
N8 C210 C209 121.0(7) . . ? 
C116 C111 C112 116.5(7) . . ? 
C116 C111 P1 117.6(6) . . ? 
C112 C111 P1 125.0(6) . . ? 
C113 C112 C111 121.8(8) . . ? 
C114 C113 C112 120.8(8) . . ? 
C115 C114 C113 119.1(8) . . ? 
C114 C115 C116 119.5(8) . . ? 
C111 C116 C115 122.3(8) . . ? 
C122 C121 C126 118.3(7) . . ? 
C122 C121 P1 122.0(6) . . ? 
C126 C121 P1 119.5(5) . . ? 
C121 C122 C123 121.2(8) . . ? 
C124 C123 C122 119.9(8) . . ? 
C125 C124 C123 119.7(7) . . ? 
C126 C125 C124 120.6(8) . . ? 
C125 C126 C121 120.1(7) . . ? 
C132 C131 C136 116.3(7) . . ? 
C132 C131 P1 122.4(6) . . ? 
C136 C131 P1 120.9(5) . . ? 
C131 C132 C133 121.5(7) . . ? 
C134 C133 C132 121.2(7) . . ? 
C135 C134 C133 118.0(7) . . ? 
C134 C135 C136 120.9(7) . . ? 
C135 C136 C131 122.1(7) . . ? 
C216 C211 C212 118.3(7) . . ? 
C216 C211 P2 119.5(5) . . ? 
C212 C211 P2 122.2(6) . . ? 
C213 C212 C211 121.4(8) . . ? 
C212 C213 C214 120.1(8) . . ? 
C215 C214 C213 119.8(8) . . ? 
C214 C215 C216 119.3(8) . . ? 
C211 C216 C215 121.1(7) . . ? 
C226 C221 C222 117.2(7) . . ? 
C226 C221 P2 116.5(5) . . ? 
C222 C221 P2 125.9(6) . . ? 
C223 C222 C221 121.1(7) . . ? 
C224 C223 C222 119.8(7) . . ? 
C223 C224 C225 120.8(7) . . ? 
C224 C225 C226 119.1(7) . . ? 
C225 C226 C221 121.8(7) . . ? 
C236 C231 C232 119.1(6) . . ? 
C236 C231 P2 123.6(5) . . ? 
C232 C231 P2 117.2(5) . . ? 
C233 C232 C231 121.3(7) . . ? 
C234 C233 C232 118.1(7) . . ? 
C233 C234 C235 120.8(7) . . ? 
C236 C235 C234 120.3(7) . . ? 
C235 C236 C231 120.1(7) . . ? 
F13 B1 F12 108.6(8) . . ? 
F13 B1 F14 110.1(8) . . ? 
F12 B1 F14 111.4(11) . . ? 
F13 B1 F11 110.0(11) . . ? 
F12 B1 F11 109.2(9) . . ? 
F14 B1 F11 107.5(8) . . ? 
F222 B2 F24 140.7(29) . . ? 
F222 B2 F23 66.9(57) . . ? 
F24 B2 F23 111.7(10) . . ? 
F222 B2 F223 113.6(57) . . ? 
F24 B2 F223 60.3(22) . . ? 
F23 B2 F223 52.7(26) . . ? 
F222 B2 F22 41.4(60) . . ? 
F24 B2 F22 117.0(10) . . ? 
F23 B2 F22 107.7(12) . . ? 
F223 B2 F22 142.1(46) . . ? 
F222 B2 F21 116.0(25) . . ? 
F24 B2 F21 101.5(10) . . ? 
F23 B2 F21 110.8(10) . . ? 
F223 B2 F21 109.3(45) . . ? 
F22 B2 F21 108.1(8) . . ? 
F222 B2 F224 103.3(47) . . ? 
F24 B2 F224 45.1(9) . . ? 
F23 B2 F224 129.6(12) . . ? 
F223 B2 F224 95.8(24) . . ? 
F22 B2 F224 71.9(11) . . ? 
F21 B2 F224 117.1(10) . . ? 
F222 F22 B2 55.4(34) . . ? 
F222 F22 F224 103.7(40) . . ? 
B2 F22 F224 59.6(10) . . ? 
F223 F23 B2 67.6(19) . . ? 
F223 F23 F222 111.9(44) . . ? 
B2 F23 F222 50.1(24) . . ? 
F224 F24 B2 80.1(12) . . ? 
F224 F24 F223 124.7(50) . . ? 
B2 F24 F223 63.5(25) . . ? 
F22 F222 B2 83.2(54) . . ? 
F22 F222 F23 144.5(54) . . ? 
B2 F222 F23 63.0(44) . . ? 
F23 F223 B2 59.8(29) . . ? 
F23 F223 F24 114.5(49) . . ? 
B2 F223 F24 56.2(17) . . ? 
F24 F224 B2 54.8(11) . . ? 
F24 F224 F22 103.3(14) . . ? 
B2 F224 F22 48.5(8) . . ? 
F31 B3 F34 108.8(8) . . ? 
F31 B3 F32 109.9(7) . . ? 
F34 B3 F32 109.7(7) . . ? 
F31 B3 F33 110.5(8) . . ? 
F34 B3 F33 105.9(7) . . ? 
F32 B3 F33 111.9(7) . . ? 
Cl1 C300 Cl2 113.3(4) . . ? 
 
_refine_diff_density_max    0.901 
_refine_diff_density_min   -0.785 
_refine_diff_density_rms    0.084 
#===END

 
data_k19 
 
_audit_creation_method            SHELXL 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             '4.(BF4)37H2O72CH2Cl2' 
_chemical_formula_moiety          ? 
_chemical_formula_structural      ? 
_chemical_formula_analytical      ? 
_chemical_formula_sum             'C72 H56 B3 Cl4 Cu F12 N8 O2 P2 Ru' 
_chemical_formula_weight          1694.03 
_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'   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' 
 'B'  'B'   0.0013   0.0007 
 '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' 
 'F'  'F'   0.0171   0.0103 
 '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' 
 'Cu'  'Cu'   0.3201   1.2651 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Ru'  'Ru'  -1.2594   0.8363 
 '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' 
 
_symmetry_cell_setting            'monoclinic' 
_symmetry_space_group_name_H-M    'P 2 1 /c'
 
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                    12.905(3) 
_cell_length_b                    13.264(3) 
_cell_length_c                    45.357(9) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  94.51(3) 
_cell_angle_gamma                 90.00 
_cell_volume                      7739.8(29) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     25
_cell_measurement_theta_min       8
_cell_measurement_theta_max       14 
 
_exptl_crystal_description        'plate'
_exptl_crystal_colour             'red'
_exptl_crystal_size_max           0.26
_exptl_crystal_size_mid           0.15
_exptl_crystal_size_min           0.18
_exptl_crystal_density_meas       'not measured'
_exptl_crystal_density_diffrn     1.454 
_exptl_crystal_density_method     ? 
_exptl_crystal_F_000              3416 
_exptl_absorpt_coefficient_mu     0.727 
_exptl_absorpt_correction_type    'empirical via \y scans'
_exptl_absorpt_correction_T_min   0.8334
_exptl_absorpt_correction_T_max   0.8987
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       293(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   'ENRAF-NONIUS CAD-4 '
_diffrn_measurement_method        '\w scans' 
_diffrn_standards_number          3
_diffrn_standards_interval_count  100 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             14852 
_diffrn_reflns_av_R_equivalents   0.1652 
_diffrn_reflns_av_sigmaI/netI     0.1658 
_diffrn_reflns_limit_h_min        0 
_diffrn_reflns_limit_h_max        12 
_diffrn_reflns_limit_k_min        -12 
_diffrn_reflns_limit_k_max        12 
_diffrn_reflns_limit_l_min        -43 
_diffrn_reflns_limit_l_max        43 
_diffrn_reflns_theta_min          1.60 
_diffrn_reflns_theta_max          20.03 
_reflns_number_total              7242 
_reflns_number_observed           3553 
_reflns_observed_criterion        >2sigma(I) 
 
_computing_data_collection        'NONIUS CAD4/PC' 
_computing_cell_refinement        'NONIUS CAD4/PC' 
_computing_data_reduction         'XCAD-4B (Harms, 1994)'      
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     'XPMA (Zsolnai, 1994)'
_computing_publication_material   'SHELXL-97 (Sheldrick, 1997)' 
 
_refine_special_details 
; 
 Refinement on F^2^ for ALL reflections except for 55 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^)+(0.1297P)^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     mixed
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          7187 
_refine_ls_number_parameters      946 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.1808 
_refine_ls_R_factor_obs           0.0745 
_refine_ls_wR_factor_all          0.2408 
_refine_ls_wR_factor_obs          0.1826 
_refine_ls_goodness_of_fit_all    1.045 
_refine_ls_goodness_of_fit_obs    1.216 
_refine_ls_restrained_S_all       1.254 
_refine_ls_restrained_S_obs       1.216 
_refine_ls_shift/esd_max          1.225 
_refine_ls_shift/esd_mean         0.056 
 
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 
Ru Ru -0.25919(9) -0.15039(9) -0.05680(3) 0.0527(5) Uani 1 d . . 
Cu Cu -0.49778(14) -0.47876(13) -0.15590(4) 0.0582(6) Uani 1 d . . 
P22 P -0.6062(3) -0.4424(3) -0.19556(10) 0.0634(13) Uani 1 d . . 
P21 P -0.3590(3) -0.5757(3) -0.16238(10) 0.0598(12) Uani 1 d . . 
N1 N -0.4464(9) -0.3465(9) -0.1321(3) 0.063(3) Uani 1 d . . 
N2 N -0.3357(9) -0.2289(8) -0.0905(3) 0.053(3) Uani 1 d . . 
N3 N -0.5754(9) -0.4919(10) -0.1171(3) 0.056(3) Uani 1 d . . 
N4 N -0.3212(9) -0.2664(9) -0.0332(3) 0.058(3) Uani 1 d . . 
N21 N -0.3812(12) -0.0525(12) -0.0559(3) 0.075(4) Uani 1 d . . 
N22 N -0.2097(11) -0.0321(9) -0.0809(3) 0.059(3) Uani 1 d . . 
N31 N -0.1247(11) -0.2299(10) -0.0567(4) 0.069(4) Uani 1 d . . 
N32 N -0.1780(11) -0.0907(10) -0.0201(3) 0.060(3) Uani 1 d . . 
C1 C -0.3839(11) -0.2726(13) -0.1405(4) 0.061(4) Uani 1 d . . 
H1A H -0.3746(11) -0.2625(13) -0.1610(4) 0.074 Uiso 1 d R . 
C2 C -0.3346(11) -0.2099(12) -0.1192(4) 0.056(4) Uani 1 d . . 
H2A H -0.2946(11) -0.1530(12) -0.1247(4) 0.067 Uiso 1 d R . 
C3 C -0.3941(11) -0.3090(11) -0.0820(3) 0.053(4) Uani 1 d . . 
C4 C -0.4604(11) -0.3595(10) -0.1030(3) 0.045(4) Uani 1 d . . 
C5 C -0.5494(11) -0.4213(11) -0.0975(3) 0.047(4) Uani 1 d . . 
C6 C -0.6105(13) -0.4023(12) -0.0747(4) 0.063(4) Uani 1 d . . 
H6A H -0.5963(13) -0.3479(12) -0.0611(4) 0.076 Uiso 1 d R . 
C7 C -0.6962(14) -0.4587(14) -0.0712(4) 0.080(5) Uani 1 d . . 
H7A H -0.7380(14) -0.4490(14) -0.0548(4) 0.096 Uiso 1 d R . 
C8 C -0.7229(13) -0.5318(15) -0.0916(5) 0.088(6) Uani 1 d . . 
H8A H -0.7803(13) -0.5754(15) -0.0884(5) 0.105 Uiso 1 d R . 
C9 C -0.6619(15) -0.5460(12) -0.1146(4) 0.077(5) Uani 1 d . . 
H9A H -0.6851(15) -0.5958(12) -0.1291(4) 0.093 Uiso 1 d R . 
C10 C -0.3750(11) -0.3360(12) -0.0503(3) 0.052(4) Uani 1 d . . 
C11 C -0.4011(12) -0.4288(12) -0.0381(4) 0.065(4) Uani 1 d . . 
H11A H -0.4325(12) -0.4800(12) -0.0508(4) 0.078 Uiso 1 d R . 
C12 C -0.3769(13) -0.4454(14) -0.0083(4) 0.078(5) Uani 1 d . . 
H12A H -0.3947(13) -0.5091(14) 0.0000(4) 0.093 Uiso 1 d R . 
C13 C -0.3339(14) -0.3715(14) 0.0090(4) 0.084(6) Uani 1 d . . 
H13A H -0.3233(14) -0.3832(14) 0.0299(4) 0.101 Uiso 1 d R . 
C14 C -0.3034(13) -0.2824(14) -0.0045(4) 0.081(5) Uani 1 d . . 
H14A H -0.2655(13) -0.2335(14) 0.0077(4) 0.097 Uiso 1 d R . 
C201 C -0.4728(18) -0.0706(16) -0.0428(4) 0.096(6) Uani 1 d . . 
H20A H -0.4766(18) -0.1343(16) -0.0329(4) 0.115 Uiso 1 d R . 
C202 C -0.5514(21) -0.0026(32) -0.0432(7) 0.166(15) Uani 1 d . . 
H20B H -0.6154(21) -0.0182(32) -0.0347(7) 0.200 Uiso 1 d R . 
C203 C -0.5384(35) 0.0847(35) -0.0591(8) 0.192(23) Uani 1 d . . 
H20C H -0.5892(35) 0.1374(35) -0.0585(8) 0.230 Uiso 1 d R . 
C204 C -0.4463(26) 0.1072(21) -0.0704(6) 0.132(10) Uani 1 d . . 
H20D H -0.4410(26) 0.1687(21) -0.0813(6) 0.158 Uiso 1 d R . 
C205 C -0.3690(17) 0.0352(16) -0.0688(4) 0.079(6) Uani 1 d . . 
C206 C -0.2695(16) 0.0499(16) -0.0824(4) 0.075(5) Uani 1 d . . 
C207 C -0.2388(24) 0.1396(17) -0.0951(6) 0.115(8) Uani 1 d . . 
H20E H -0.2813(24) 0.1990(17) -0.0971(6) 0.138 Uiso 1 d R . 
C208 C -0.1452(30) 0.1374(24) -0.1073(5) 0.138(12) Uani 1 d . . 
H20F H -0.1139(30) 0.2004(24) -0.1121(5) 0.165 Uiso 1 d R . 
C209 C -0.0849(18) 0.0542(22) -0.1070(5) 0.105(7) Uani 1 d . . 
H20G H -0.0268(18) 0.0523(22) -0.1190(5) 0.126 Uiso 1 d R . 
C210 C -0.1177(15) -0.0281(13) -0.0939(4) 0.075(5) Uani 1 d . . 
H21A H -0.0723(15) -0.0855(13) -0.0922(4) 0.090 Uiso 1 d R . 
C301 C -0.0975(16) -0.2909(15) -0.0776(5) 0.086(6) Uani 1 d . . 
H30A H -0.1447(16) -0.2971(15) -0.0950(5) 0.103 Uiso 1 d R . 
C302 C -0.0071(25) -0.3354(20) -0.0801(7) 0.137(10) Uani 1 d . . 
H30B H 0.0087(25) -0.3876(20) -0.0937(7) 0.164 Uiso 1 d R . 
C303 C 0.0625(22) -0.3140(20) -0.0573(10) 0.152(11) Uani 1 d . . 
H30C H 0.1333(22) -0.3346(20) -0.0586(10) 0.182 Uiso 1 d R . 
C304 C 0.0459(19) -0.2504(22) -0.0320(7) 0.138(9) Uani 1 d . . 
H30D H 0.0946(19) -0.2402(22) -0.0151(7) 0.166 Uiso 1 d R . 
C305 C -0.0537(15) -0.2106(14) -0.0336(5) 0.077(5) Uani 1 d . . 
C306 C -0.0881(17) -0.1394(14) -0.0119(4) 0.073(5) Uani 1 d . . 
C307 C -0.0324(18) -0.1221(17) 0.0147(6) 0.108(8) Uani 1 d . . 
H30E H 0.0289(18) -0.1594(17) 0.0213(6) 0.129 Uiso 1 d R . 
C308 C -0.0693(21) -0.0504(23) 0.0332(6) 0.119(9) Uani 1 d . . 
H30F H -0.0310(21) -0.0346(23) 0.0516(6) 0.143 Uiso 1 d R . 
C309 C -0.1581(18) -0.0014(17) 0.0250(4) 0.099(7) Uani 1 d . . 
H30G H -0.1826(18) 0.0511(17) 0.0372(4) 0.118 Uiso 1 d R . 
C310 C -0.2107(13) -0.0211(14) -0.0018(4) 0.076(5) Uani 1 d . . 
H31A H -0.2762(13) 0.0110(14) -0.0070(4) 0.092 Uiso 1 d R . 
C111 C -0.3827(15) -0.7117(13) -0.1640(4) 0.071(5) Uani 1 d . . 
C112 C -0.4734(18) -0.7462(13) -0.1541(4) 0.093(6) Uani 1 d . . 
H11B H -0.5250(18) -0.6970(13) -0.1501(4) 0.112 Uiso 1 d R . 
C113 C -0.4903(19) -0.8501(21) -0.1528(5) 0.112(7) Uani 1 d . . 
H11C H -0.5517(19) -0.8725(21) -0.1441(5) 0.134 Uiso 1 d R . 
C114 C -0.4142(27) -0.9159(17) -0.1638(6) 0.127(9) Uani 1 d . . 
H11D H -0.4280(27) -0.9864(17) -0.1615(6) 0.153 Uiso 1 d R . 
C115 C -0.3294(22) -0.8832(17) -0.1739(5) 0.108(8) Uani 1 d . . 
H11E H -0.2854(22) -0.9281(17) -0.1839(5) 0.129 Uiso 1 d R . 
C116 C -0.3129(15) -0.7811(15) -0.1734(4) 0.086(6) Uani 1 d . . 
H11F H -0.2483(15) -0.7508(15) -0.1778(4) 0.103 Uiso 1 d R . 
C121 C -0.3002(12) -0.5430(13) -0.1967(4) 0.066(5) Uani 1 d . . 
C122 C -0.3266(13) -0.5910(14) -0.2232(4) 0.079(5) Uani 1 d . . 
H12B H -0.3549(13) -0.6578(14) -0.2224(4) 0.095 Uiso 1 d R . 
C123 C -0.2915(18) -0.5539(21) -0.2491(5) 0.113(8) Uani 1 d . . 
H12C H -0.3100(18) -0.5881(21) -0.2674(5) 0.136 Uiso 1 d R . 
C124 C -0.2301(20) -0.4683(23) -0.2489(6) 0.116(9) Uani 1 d . . 
H12D H -0.2075(20) -0.4426(23) -0.2671(6) 0.139 Uiso 1 d R . 
C125 C -0.2056(14) -0.4209(16) -0.2237(6) 0.098(7) Uani 1 d . . 
H12E H -0.1686(14) -0.3586(16) -0.2252(6) 0.117 Uiso 1 d R . 
C126 C -0.2409(13) -0.4538(14) -0.1970(4) 0.074(5) Uani 1 d . . 
H12F H -0.2190(13) -0.4182(14) -0.1792(4) 0.089 Uiso 1 d R . 
C131 C -0.2524(14) -0.5729(11) -0.1337(3) 0.061(4) Uani 1 d . . 
C132 C -0.2794(14) -0.5715(11) -0.1050(5) 0.078(5) Uani 1 d . . 
H13B H -0.3503(14) -0.5681(11) -0.1001(5) 0.093 Uiso 1 d R . 
C133 C -0.2036(23) -0.5793(16) -0.0813(5) 0.105(7) Uani 1 d . . 
H13C H -0.2199(23) -0.5727(16) -0.0611(5) 0.126 Uiso 1 d R . 
C134 C -0.1045(23) -0.5877(17) -0.0861(6) 0.117(9) Uani 1 d . . 
H13D H -0.0572(23) -0.6028(17) -0.0693(6) 0.141 Uiso 1 d R . 
C135 C -0.0727(16) -0.5922(15) -0.1157(7) 0.111(8) Uani 1 d . . 
H13E H 0.0010(16) -0.5956(15) -0.1173(7) 0.134 Uiso 1 d R . 
C136 C -0.1473(15) -0.5823(12) -0.1385(4) 0.074(5) Uani 1 d . . 
H13F H -0.1252(15) -0.5815(12) -0.1582(4) 0.088 Uiso 1 d R . 
C211 C -0.6073(12) -0.5331(17) -0.2256(4) 0.080(5) Uani 1 d . . 
C212 C -0.5922(15) -0.5100(18) -0.2539(5) 0.111(7) Uani 1 d . . 
H21B H -0.5872(15) -0.4412(18) -0.2601(5) 0.133 Uiso 1 d R . 
C213 C -0.5880(20) -0.5858(31) -0.2749(7) 0.161(13) Uani 1 d . . 
H21C H -0.5862(20) -0.5738(31) -0.2958(7) 0.193 Uiso 1 d R . 
C214 C -0.5870(20) -0.6828(27) -0.2677(8) 0.137(13) Uani 1 d . . 
H21D H -0.5759(20) -0.7323(27) -0.2826(8) 0.165 Uiso 1 d R . 
C215 C -0.6014(16) -0.7134(21) -0.2387(7) 0.139(10) Uani 1 d . . 
H21E H -0.6043(16) -0.7845(21) -0.2350(7) 0.167 Uiso 1 d R . 
C216 C -0.6100(15) -0.6350(19) -0.2175(6) 0.115(7) Uani 1 d . . 
H21F H -0.6122(15) -0.6536(19) -0.1971(6) 0.138 Uiso 1 d R . 
C221 C -0.5709(17) -0.3225(15) -0.2107(4) 0.089(6) Uani 1 d . . 
C222 C -0.4666(16) -0.3081(16) -0.2180(4) 0.092(6) Uani 1 d . . 
H22A H -0.4157(16) -0.3595(16) -0.2131(4) 0.110 Uiso 1 d R . 
C223 C -0.4324(21) -0.2177(24) -0.2261(7) 0.152(12) Uani 1 d . . 
H22B H -0.3659(21) -0.2103(24) -0.2340(7) 0.183 Uiso 1 d R . 
C224 C -0.4923(26) -0.1406(28) -0.2311(7) 0.168(13) Uani 1 d . . 
H22C H -0.4654(26) -0.0734(28) -0.2322(7) 0.202 Uiso 1 d R . 
C225 C -0.5964(26) -0.1456(19) -0.2250(6) 0.148(10) Uani 1 d . . 
H22D H -0.6453(26) -0.0922(19) -0.2295(6) 0.178 Uiso 1 d R . 
C226 C -0.6381(17) -0.2418(18) -0.2156(5) 0.115(7) Uani 1 d . . 
H22E H -0.7111(17) -0.2504(18) -0.2137(5) 0.138 Uiso 1 d R . 
C231 C -0.7435(12) -0.4280(12) -0.1874(4) 0.059(4) Uani 1 d . . 
C232 C -0.7679(14) -0.3684(11) -0.1648(4) 0.070(5) Uani 1 d . . 
H23A H -0.7150(14) -0.3294(11) -0.1540(4) 0.084 Uiso 1 d R . 
C233 C -0.8656(16) -0.3562(14) -0.1569(4) 0.084(5) Uani 1 d . . 
H23B H -0.8808(16) -0.3135(14) -0.1407(4) 0.101 Uiso 1 d R . 
C234 C -0.9458(16) -0.4045(17) -0.1723(6) 0.102(7) Uani 1 d . . 
H23C H -1.0164(16) -0.4003(17) -0.1672(6) 0.123 Uiso 1 d R . 
C235 C -0.9222(13) -0.4638(17) -0.1942(5) 0.100(7) Uani 1 d . . 
H23D H -0.9764(13) -0.4920(17) -0.2074(5) 0.120 Uiso 1 d R . 
C236 C -0.8231(15) -0.4786(14) -0.2033(4) 0.090(6) Uani 1 d . . 
H23E H -0.8100(15) -0.5308(14) -0.2172(4) 0.109 Uiso 1 d R . 
B1 B -0.2064(27) -0.2053(21) 0.0873(9) 0.111(9) Uani 1 d . . 
F11 F -0.1313(13) -0.2606(12) 0.0995(5) 0.232(10) Uani 1 d . . 
F12 F -0.2866(14) -0.2194(11) 0.1054(4) 0.185(7) Uani 1 d . . 
F13 F -0.2428(14) -0.2318(13) 0.0624(4) 0.201(9) Uani 1 d . . 
F14 F -0.1804(12) -0.1068(11) 0.0918(3) 0.166(6) Uani 1 d . . 
C900 C -0.2388(34) 0.0858(23) 0.1257(8) 0.243(20) Uani 1 d . . 
Cl1 Cl -0.3748(13) 0.1127(9) 0.1338(4) 0.379(11) Uani 1 d . . 
Cl2 Cl -0.2340(13) 0.1623(8) 0.0951(3) 0.298(7) Uani 1 d . . 
O O 0.0720(8) -0.5617(10) -0.0136(4) 0.157(8) Uani 1 d . . 
F34 F -0.1986(12) -1.1063(10) -0.1638(4) 0.171(7) Uani 1 d . . 
F33 F -0.1340(11) -1.2524(12) -0.1466(3) 0.168(6) Uani 1 d . . 
F32 F -0.1101(14) -1.2090(11) -0.1919(4) 0.177(6) Uani 1 d . . 
F31 F -0.0279(16) -1.1285(16) -0.1551(5) 0.237(10) Uani 1 d . . 
F23 F -0.2779(13) -0.6662(13) 0.0106(5) 0.221(10) Uani 1 d . . 
Cl4 Cl -0.4919(13) -0.3058(16) -0.3134(4) 0.373(10) Uani 1 d . . 
Cl3 Cl -0.6947(14) -0.3086(21) -0.3132(4) 0.492(17) Uani 1 d . . 
B3 B -0.1224(29) -1.1750(24) -0.1644(8) 0.119(9) Uani 1 d . . 
C950 C -0.6016(38) -0.2546(105) -0.3283(11) 0.789(123) Uani 1 d . . 
F21 F -0.2637(17) -0.7883(17) -0.0182(4) 0.235(10) Uani 1 d . . 
F22 F -0.3990(19) -0.6975(16) -0.0170(8) 0.378(25) Uani 1 d . . 
B2 B -0.3211(23) -0.7304(23) -0.0051(9) 0.112(11) Uani 1 d . . 
F24 F -0.3562(27) -0.8027(26) 0.0107(9) 0.419(26) Uani 1 d . . 
O2 O -0.5133(21) -0.6508(19) -0.0680(6) 0.255(11) Uani 1 d . . 
 
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 
Ru 0.0529(8) 0.0510(8) 0.0544(8) -0.0017(7) 0.0062(6) -0.0067(7) 
Cu 0.0558(13) 0.0594(12) 0.0590(13) -0.0079(10) 0.0022(10) -0.0022(10) 
P22 0.049(3) 0.072(3) 0.069(3) -0.007(2) 0.006(2) -0.002(2) 
P21 0.058(3) 0.057(3) 0.063(3) -0.005(2) -0.001(2) 0.004(2) 
N1 0.062(9) 0.055(8) 0.072(11) -0.013(8) 0.010(7) -0.004(8) 
N2 0.058(9) 0.044(8) 0.059(10) 0.004(7) 0.015(7) -0.007(7) 
N3 0.046(8) 0.056(8) 0.067(9) -0.004(8) 0.012(7) -0.007(7) 
N4 0.064(9) 0.075(9) 0.034(9) 0.001(8) -0.003(7) -0.017(7) 
N21 0.078(12) 0.064(10) 0.081(11) -0.018(9) -0.012(9) 0.006(8) 
N22 0.066(10) 0.048(9) 0.060(9) -0.002(7) -0.017(8) -0.007(8) 
N31 0.065(10) 0.052(9) 0.090(12) 0.005(8) 0.012(10) 0.011(8) 
N32 0.047(9) 0.070(9) 0.064(10) 0.005(8) 0.007(8) -0.017(8) 
C1 0.049(10) 0.079(12) 0.056(11) 0.005(10) 0.005(9) -0.024(9) 
C2 0.048(10) 0.066(10) 0.055(12) 0.004(10) 0.018(9) -0.011(8) 
C3 0.044(9) 0.059(10) 0.057(12) -0.023(9) 0.005(9) -0.004(8) 
C4 0.054(10) 0.042(9) 0.041(10) -0.003(8) 0.012(8) -0.005(8) 
C5 0.050(10) 0.049(10) 0.045(10) -0.007(8) 0.016(9) -0.011(8) 
C6 0.062(12) 0.064(10) 0.064(12) -0.011(9) 0.007(10) -0.013(10) 
C7 0.063(13) 0.069(12) 0.110(16) -0.018(12) 0.022(11) -0.001(11) 
C8 0.055(12) 0.082(15) 0.130(19) 0.029(14) 0.026(13) -0.004(11) 
C9 0.073(14) 0.064(11) 0.094(16) 0.000(10) 0.004(12) -0.012(11) 
C10 0.064(10) 0.060(11) 0.035(10) -0.005(9) 0.016(8) -0.009(9) 
C11 0.071(12) 0.067(12) 0.059(13) 0.002(10) 0.020(10) -0.003(9) 
C12 0.076(13) 0.080(13) 0.077(15) 0.030(12) 0.006(11) -0.014(10) 
C13 0.112(16) 0.085(14) 0.054(12) 0.015(11) -0.004(11) -0.043(12) 
C14 0.088(14) 0.110(16) 0.041(13) 0.011(11) -0.014(10) -0.025(11) 
C201 0.075(15) 0.122(17) 0.092(15) -0.029(13) 0.015(12) -0.011(14) 
C202 0.059(16) 0.293(46) 0.146(31) -0.089(29) -0.002(17) 0.071(26) 
C203 0.186(41) 0.256(49) 0.123(34) -0.068(31) -0.059(29) 0.135(42) 
C204 0.176(28) 0.125(20) 0.095(19) 0.008(15) 0.008(19) 0.071(24) 
C205 0.107(18) 0.065(14) 0.059(13) -0.023(11) -0.037(12) 0.041(14) 
C206 0.084(15) 0.064(15) 0.072(13) -0.005(11) -0.014(11) 0.007(13) 
C207 0.163(25) 0.063(16) 0.110(19) 0.001(15) -0.037(17) -0.005(17) 
C208 0.199(33) 0.123(25) 0.087(18) 0.040(18) -0.015(20) -0.084(26) 
C209 0.116(19) 0.108(18) 0.085(16) 0.006(16) -0.024(14) -0.021(18) 
C210 0.089(16) 0.057(12) 0.080(13) 0.020(10) 0.007(11) -0.035(10) 
C301 0.066(15) 0.067(13) 0.126(20) 0.020(14) 0.010(13) 0.013(11) 
C302 0.122(25) 0.116(20) 0.171(29) -0.045(19) 0.004(21) 0.002(20) 
C303 0.100(22) 0.111(21) 0.249(41) 0.003(23) 0.041(25) 0.047(17) 
C304 0.082(20) 0.154(24) 0.175(28) -0.019(22) -0.013(17) 0.002(17) 
C305 0.050(13) 0.081(13) 0.099(16) 0.014(12) -0.011(12) 0.009(11) 
C306 0.075(14) 0.064(12) 0.079(14) -0.009(11) 0.004(12) -0.038(12) 
C307 0.112(19) 0.078(15) 0.125(22) 0.021(14) -0.039(18) -0.036(14) 
C308 0.100(20) 0.151(25) 0.100(19) 0.002(19) -0.029(16) -0.075(19) 
C309 0.085(16) 0.155(20) 0.055(14) -0.036(13) 0.004(12) -0.047(16) 
C310 0.065(12) 0.100(14) 0.066(14) -0.024(11) 0.021(11) -0.030(11) 
C111 0.074(13) 0.063(12) 0.075(13) -0.019(10) 0.003(10) 0.003(11) 
C112 0.113(19) 0.043(13) 0.117(17) 0.009(11) -0.030(14) -0.002(11) 
C113 0.130(20) 0.112(20) 0.093(16) 0.005(15) 0.008(14) -0.024(17) 
C114 0.213(33) 0.064(16) 0.100(20) 0.008(14) -0.013(20) -0.008(20) 
C115 0.167(25) 0.066(17) 0.090(18) 0.000(12) 0.008(16) 0.000(15) 
C116 0.113(16) 0.072(14) 0.070(13) -0.027(11) -0.008(11) -0.002(13) 
C121 0.050(11) 0.083(13) 0.065(13) -0.018(10) -0.004(9) 0.013(10) 
C122 0.069(12) 0.094(13) 0.073(14) -0.023(12) -0.007(11) 0.015(10) 
C123 0.097(18) 0.162(24) 0.084(19) 0.027(17) 0.025(14) 0.043(17) 
C124 0.117(21) 0.167(26) 0.066(17) 0.042(18) 0.024(15) 0.023(19) 
C125 0.066(13) 0.109(16) 0.122(19) 0.044(17) 0.025(15) 0.011(12) 
C126 0.069(12) 0.093(14) 0.063(13) 0.009(11) 0.022(10) -0.005(11) 
C131 0.076(14) 0.068(11) 0.036(11) 0.000(8) -0.012(9) -0.009(9) 
C132 0.084(13) 0.065(11) 0.080(15) 0.008(10) -0.019(13) 0.005(10) 
C133 0.141(21) 0.116(17) 0.055(15) -0.013(12) -0.017(16) 0.020(17) 
C134 0.135(24) 0.121(18) 0.082(19) -0.008(14) -0.076(18) 0.029(17) 
C135 0.073(15) 0.107(16) 0.146(24) -0.023(16) -0.040(17) 0.003(12) 
C136 0.064(13) 0.078(12) 0.077(14) 0.016(10) -0.005(12) -0.005(10) 
C211 0.053(11) 0.112(17) 0.074(15) -0.022(13) 0.000(10) -0.001(11) 
C212 0.111(17) 0.158(20) 0.063(15) -0.040(16) -0.001(12) -0.035(15) 
C213 0.115(21) 0.234(35) 0.137(27) -0.090(32) 0.034(18) -0.039(26) 
C214 0.097(19) 0.186(30) 0.130(28) -0.107(27) 0.017(17) -0.012(21) 
C215 0.085(17) 0.168(25) 0.163(28) -0.092(25) 0.000(18) -0.023(16) 
C216 0.086(15) 0.116(19) 0.141(22) -0.045(19) -0.008(14) 0.009(14) 
C221 0.084(15) 0.108(16) 0.073(13) 0.006(11) -0.003(11) 0.024(13) 
C222 0.074(15) 0.101(16) 0.099(16) 0.027(12) 0.002(12) -0.006(12) 
C223 0.113(22) 0.155(27) 0.186(29) 0.087(23) -0.003(19) 0.000(21) 
C224 0.134(26) 0.188(33) 0.185(30) 0.092(25) 0.023(23) -0.058(25) 
C225 0.189(30) 0.088(18) 0.165(25) 0.032(17) -0.003(22) 0.038(20) 
C226 0.083(16) 0.117(18) 0.143(22) 0.032(16) -0.001(14) 0.010(15) 
C231 0.051(11) 0.065(10) 0.061(11) -0.001(10) 0.016(9) 0.007(9) 
C232 0.078(14) 0.059(11) 0.075(13) -0.006(10) 0.018(10) 0.005(10) 
C233 0.057(13) 0.092(13) 0.106(15) 0.003(12) 0.023(12) 0.008(12) 
C234 0.053(14) 0.111(16) 0.149(22) -0.002(15) 0.041(15) 0.012(13) 
C235 0.031(12) 0.145(19) 0.124(18) -0.022(16) 0.009(11) 0.004(11) 
C236 0.062(13) 0.099(14) 0.109(16) -0.037(13) -0.004(12) 0.003(12) 
B1 0.121(26) 0.062(19) 0.151(31) 0.000(19) 0.013(24) -0.005(18) 
F11 0.177(15) 0.131(12) 0.364(28) -0.017(14) -0.122(17) 0.052(12) 
F12 0.202(16) 0.144(13) 0.216(19) 0.038(12) 0.066(14) 0.002(11) 
F13 0.241(19) 0.192(16) 0.156(16) -0.078(13) -0.062(14) 0.031(13) 
F14 0.207(15) 0.108(10) 0.188(16) -0.012(9) 0.050(12) -0.020(10) 
C900 0.379(52) 0.160(27) 0.210(36) 0.040(26) 0.144(37) 0.134(32) 
Cl1 0.407(20) 0.208(10) 0.561(29) -0.141(14) 0.272(21) -0.090(12) 
Cl2 0.544(23) 0.178(8) 0.180(10) -0.030(8) 0.075(12) -0.078(11) 
O 0.051(7) 0.145(12) 0.264(18) 0.165(13) -0.061(9) -0.028(7) 
F34 0.186(14) 0.130(10) 0.210(16) 0.061(10) 0.094(12) 0.067(11) 
F33 0.184(14) 0.173(13) 0.160(13) 0.075(11) 0.084(11) 0.070(11) 
F32 0.262(18) 0.163(13) 0.114(12) 0.014(10) 0.071(12) 0.025(12) 
F31 0.178(17) 0.257(22) 0.279(25) -0.106(19) 0.040(16) -0.014(16) 
F23 0.189(16) 0.161(14) 0.292(23) -0.107(16) -0.115(15) 0.045(12) 
Cl4 0.294(17) 0.556(28) 0.277(18) 0.113(18) 0.076(14) -0.041(18) 
Cl3 0.332(20) 0.854(46) 0.298(19) 0.182(25) 0.074(16) 0.252(26) 
B3 0.142(29) 0.096(23) 0.123(28) 0.007(20) 0.038(23) 0.013(21) 
C950 0.176(43) 2.000(364) 0.196(47) 0.143(104) 0.057(37) -0.403(108) 
F21 0.266(22) 0.251(21) 0.177(17) -0.086(16) -0.049(15) 0.115(20) 
F22 0.206(20) 0.180(20) 0.705(63) -0.184(29) -0.243(31) 0.070(17) 
B2 0.068(19) 0.089(20) 0.174(35) -0.052(23) -0.027(20) -0.001(16) 
F24 0.424(45) 0.298(30) 0.578(61) 0.178(36) 0.302(45) 0.004(31) 
O2 0.292(29) 0.234(23) 0.239(27) -0.006(20) 0.017(22) 0.050(20) 
 
_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 
Ru N32 2.056(14) . ? 
Ru N31 2.031(13) . ? 
Ru N22 2.044(13) . ? 
Ru N21 2.043(14) . ? 
Ru N2 2.040(12) . ? 
Ru N4 2.071(11) . ? 
Cu N3 2.101(12) . ? 
Cu N1 2.138(12) . ? 
Cu P22 2.243(5) . ? 
Cu P21 2.243(4) . ? 
P22 C211 1.82(2) . ? 
P22 C221 1.80(2) . ? 
P22 C231 1.848(15) . ? 
P21 C131 1.82(2) . ? 
P21 C121 1.84(2) . ? 
P21 C111 1.83(2) . ? 
N1 C1 1.34(2) . ? 
N1 C4 1.36(2) . ? 
N2 C2 1.33(2) . ? 
N2 C3 1.37(2) . ? 
N3 C9 1.34(2) . ? 
N3 C5 1.32(2) . ? 
N4 C14 1.32(2) . ? 
N4 C10 1.36(2) . ? 
N21 C205 1.32(2) . ? 
N21 C201 1.38(2) . ? 
N22 C206 1.33(2) . ? 
N22 C210 1.37(2) . ? 
N31 C301 1.31(2) . ? 
N31 C305 1.36(2) . ? 
N32 C310 1.33(2) . ? 
N32 C306 1.35(2) . ? 
C1 C2 1.39(2) . ? 
C3 C4 1.40(2) . ? 
C3 C10 1.48(2) . ? 
C4 C5 1.45(2) . ? 
C5 C6 1.37(2) . ? 
C6 C7 1.36(2) . ? 
C7 C8 1.37(2) . ? 
C8 C9 1.37(2) . ? 
C10 C11 1.40(2) . ? 
C11 C12 1.38(2) . ? 
C12 C13 1.35(2) . ? 
C13 C14 1.40(2) . ? 
C201 C202 1.36(3) . ? 
C202 C203 1.38(5) . ? 
C203 C204 1.36(4) . ? 
C204 C205 1.38(3) . ? 
C205 C206 1.48(2) . ? 
C206 C207 1.39(3) . ? 
C207 C208 1.37(3) . ? 
C208 C209 1.35(3) . ? 
C209 C210 1.33(3) . ? 
C301 C302 1.32(3) . ? 
C302 C303 1.34(4) . ? 
C303 C304 1.45(4) . ? 
C304 C305 1.39(3) . ? 
C305 C306 1.46(2) . ? 
C306 C307 1.38(3) . ? 
C307 C308 1.38(3) . ? 
C308 C309 1.34(3) . ? 
C309 C310 1.37(2) . ? 
C111 C112 1.36(2) . ? 
C111 C116 1.38(2) . ? 
C112 C113 1.40(3) . ? 
C113 C114 1.43(3) . ? 
C114 C115 1.29(3) . ? 
C115 C116 1.37(2) . ? 
C121 C122 1.38(2) . ? 
C121 C126 1.41(2) . ? 
C122 C123 1.38(3) . ? 
C123 C124 1.38(3) . ? 
C124 C125 1.32(3) . ? 
C125 C126 1.39(2) . ? 
C131 C132 1.37(2) . ? 
C131 C136 1.40(2) . ? 
C132 C133 1.40(3) . ? 
C133 C134 1.32(3) . ? 
C134 C135 1.43(3) . ? 
C135 C136 1.36(2) . ? 
C211 C212 1.35(2) . ? 
C211 C216 1.40(3) . ? 
C212 C213 1.39(3) . ? 
C213 C214 1.33(4) . ? 
C214 C215 1.40(4) . ? 
C215 C216 1.43(3) . ? 
C221 C222 1.42(2) . ? 
C221 C226 1.38(2) . ? 
C222 C223 1.34(3) . ? 
C223 C224 1.29(3) . ? 
C224 C225 1.39(3) . ? 
C225 C226 1.46(3) . ? 
C231 C236 1.38(2) . ? 
C231 C232 1.35(2) . ? 
C232 C233 1.35(2) . ? 
C233 C234 1.36(3) . ? 
C234 C235 1.32(3) . ? 
C235 C236 1.39(2) . ? 
B1 F13 1.24(4) . ? 
B1 F11 1.30(3) . ? 
B1 F12 1.38(3) . ? 
B1 F14 1.36(3) . ? 
C900 Cl2 1.72(3) . ? 
C900 Cl1 1.86(4) . ? 
F34 B3 1.34(3) . ? 
F33 B3 1.32(3) . ? 
F32 B3 1.35(3) . ? 
F31 B3 1.40(3) . ? 
F23 B2 1.22(3) . ? 
Cl4 C950 1.67(9) . ? 
Cl3 C950 1.60(5) . ? 
F21 B2 1.25(3) . ? 
F22 B2 1.19(3) . ? 
B2 F24 1.30(4) . ? 
 
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 
N32 Ru N31 79.5(6) . . ? 
N32 Ru N22 88.7(5) . . ? 
N31 Ru N22 95.5(6) . . ? 
N32 Ru N21 94.8(6) . . ? 
N31 Ru N21 171.7(6) . . ? 
N22 Ru N21 78.3(7) . . ? 
N32 Ru N2 171.9(5) . . ? 
N31 Ru N2 95.7(6) . . ? 
N22 Ru N2 98.3(5) . . ? 
N21 Ru N2 90.6(5) . . ? 
N32 Ru N4 93.4(5) . . ? 
N31 Ru N4 88.8(5) . . ? 
N22 Ru N4 175.5(5) . . ? 
N21 Ru N4 97.6(6) . . ? 
N2 Ru N4 79.9(5) . . ? 
N3 Cu N1 78.1(5) . . ? 
N3 Cu P22 112.4(4) . . ? 
N1 Cu P22 112.2(4) . . ? 
N3 Cu P21 120.0(3) . . ? 
N1 Cu P21 108.5(3) . . ? 
P22 Cu P21 118.2(2) . . ? 
C211 P22 C221 106.6(10) . . ? 
C211 P22 C231 105.5(8) . . ? 
C221 P22 C231 105.1(8) . . ? 
C211 P22 Cu 115.2(7) . . ? 
C221 P22 Cu 109.6(6) . . ? 
C231 P22 Cu 114.1(6) . . ? 
C131 P21 C121 105.2(8) . . ? 
C131 P21 C111 99.5(7) . . ? 
C121 P21 C111 106.1(8) . . ? 
C131 P21 Cu 117.4(6) . . ? 
C121 P21 Cu 111.3(5) . . ? 
C111 P21 Cu 115.9(7) . . ? 
C1 N1 C4 119.8(13) . . ? 
C1 N1 Cu 128.7(11) . . ? 
C4 N1 Cu 109.1(10) . . ? 
C2 N2 C3 118.1(13) . . ? 
C2 N2 Ru 126.6(10) . . ? 
C3 N2 Ru 115.3(10) . . ? 
C9 N3 C5 119.8(13) . . ? 
C9 N3 Cu 124.7(12) . . ? 
C5 N3 Cu 113.1(10) . . ? 
C14 N4 C10 119.6(13) . . ? 
C14 N4 Ru 125.8(11) . . ? 
C10 N4 Ru 114.1(10) . . ? 
C205 N21 C201 118.7(18) . . ? 
C205 N21 Ru 115.6(14) . . ? 
C201 N21 Ru 125.7(15) . . ? 
C206 N22 C210 117.8(15) . . ? 
C206 N22 Ru 116.7(13) . . ? 
C210 N22 Ru 125.4(12) . . ? 
C301 N31 C305 118.1(16) . . ? 
C301 N31 Ru 126.5(15) . . ? 
C305 N31 Ru 115.2(13) . . ? 
C310 N32 C306 117.8(16) . . ? 
C310 N32 Ru 127.3(13) . . ? 
C306 N32 Ru 114.2(12) . . ? 
C2 C1 N1 119.4(14) . . ? 
N2 C2 C1 121.9(14) . . ? 
C4 C3 N2 119.8(14) . . ? 
C4 C3 C10 126.1(14) . . ? 
N2 C3 C10 114.0(13) . . ? 
C3 C4 N1 118.7(13) . . ? 
C3 C4 C5 127.2(14) . . ? 
N1 C4 C5 114.0(13) . . ? 
N3 C5 C6 120.4(13) . . ? 
N3 C5 C4 116.8(13) . . ? 
C6 C5 C4 122.5(14) . . ? 
C7 C6 C5 120.8(15) . . ? 
C6 C7 C8 118.4(17) . . ? 
C7 C8 C9 119.1(17) . . ? 
N3 C9 C8 121.4(17) . . ? 
C11 C10 N4 119.8(13) . . ? 
C11 C10 C3 124.7(15) . . ? 
N4 C10 C3 115.3(13) . . ? 
C12 C11 C10 119.0(15) . . ? 
C13 C12 C11 120.4(16) . . ? 
C12 C13 C14 118.5(16) . . ? 
N4 C14 C13 122.2(16) . . ? 
C202 C201 N21 122.8(25) . . ? 
C201 C202 C203 116.2(35) . . ? 
C204 C203 C202 121.7(38) . . ? 
C203 C204 C205 118.5(32) . . ? 
N21 C205 C204 121.5(23) . . ? 
N21 C205 C206 116.0(17) . . ? 
C204 C205 C206 122.4(24) . . ? 
N22 C206 C207 122.3(20) . . ? 
N22 C206 C205 113.0(18) . . ? 
C207 C206 C205 124.7(22) . . ? 
C208 C207 C206 116.0(24) . . ? 
C209 C208 C207 122.7(25) . . ? 
C210 C209 C208 118.2(24) . . ? 
C209 C210 N22 122.9(19) . . ? 
N31 C301 C302 128.5(22) . . ? 
C303 C302 C301 112.5(26) . . ? 
C302 C303 C304 126.8(25) . . ? 
C305 C304 C303 111.9(23) . . ? 
N31 C305 C304 122.2(21) . . ? 
N31 C305 C306 114.9(18) . . ? 
C304 C305 C306 122.8(24) . . ? 
C307 C306 N32 122.6(19) . . ? 
C307 C306 C305 122.3(24) . . ? 
N32 C306 C305 115.1(19) . . ? 
C306 C307 C308 117.8(23) . . ? 
C307 C308 C309 119.6(23) . . ? 
C310 C309 C308 120.4(21) . . ? 
C309 C310 N32 121.8(19) . . ? 
C112 C111 C116 118.4(17) . . ? 
C112 C111 P21 117.5(14) . . ? 
C116 C111 P21 124.0(16) . . ? 
C111 C112 C113 119.0(21) . . ? 
C112 C113 C114 118.2(21) . . ? 
C115 C114 C113 122.8(23) . . ? 
C114 C115 C116 117.3(24) . . ? 
C115 C116 C111 124.1(20) . . ? 
C122 C121 C126 118.4(17) . . ? 
C122 C121 P21 122.7(15) . . ? 
C126 C121 P21 117.8(13) . . ? 
C121 C122 C123 120.1(19) . . ? 
C124 C123 C122 120.9(23) . . ? 
C125 C124 C123 119.4(23) . . ? 
C124 C125 C126 122.0(22) . . ? 
C125 C126 C121 119.1(18) . . ? 
C132 C131 C136 118.1(15) . . ? 
C132 C131 P21 116.5(14) . . ? 
C136 C131 P21 125.1(13) . . ? 
C131 C132 C133 120.9(18) . . ? 
C134 C133 C132 120.4(21) . . ? 
C133 C134 C135 120.8(20) . . ? 
C136 C135 C134 118.0(20) . . ? 
C135 C136 C131 121.7(19) . . ? 
C212 C211 C216 118.4(20) . . ? 
C212 C211 P22 124.7(19) . . ? 
C216 C211 P22 116.3(17) . . ? 
C213 C212 C211 120.4(25) . . ? 
C214 C213 C212 122.0(33) . . ? 
C213 C214 C215 120.9(29) . . ? 
C214 C215 C216 116.4(27) . . ? 
C211 C216 C215 121.4(25) . . ? 
C222 C221 C226 116.8(19) . . ? 
C222 C221 P22 118.5(16) . . ? 
C226 C221 P22 124.7(17) . . ? 
C223 C222 C221 121.4(21) . . ? 
C224 C223 C222 123.5(27) . . ? 
C223 C224 C225 120.1(27) . . ? 
C224 C225 C226 118.8(23) . . ? 
C221 C226 C225 118.8(20) . . ? 
C236 C231 C232 118.2(15) . . ? 
C236 C231 P22 122.0(13) . . ? 
C232 C231 P22 119.8(14) . . ? 
C233 C232 C231 123.4(17) . . ? 
C232 C233 C234 119.8(19) . . ? 
C235 C234 C233 117.1(18) . . ? 
C234 C235 C236 125.5(19) . . ? 
C231 C236 C235 116.1(17) . . ? 
F13 B1 F11 116.3(28) . . ? 
F13 B1 F12 104.8(27) . . ? 
F11 B1 F12 103.7(29) . . ? 
F13 B1 F14 118.8(30) . . ? 
F11 B1 F14 108.0(28) . . ? 
F12 B1 F14 103.2(26) . . ? 
Cl2 C900 Cl1 98.1(19) . . ? 
F33 B3 F34 113.3(25) . . ? 
F33 B3 F32 109.5(24) . . ? 
F34 B3 F32 112.7(30) . . ? 
F33 B3 F31 107.1(31) . . ? 
F34 B3 F31 108.5(25) . . ? 
F32 B3 F31 105.3(26) . . ? 
Cl3 C950 Cl4 106.7(61) . . ? 
F22 B2 F23 110.0(27) . . ? 
F22 B2 F24 101.7(32) . . ? 
F23 B2 F24 110.9(42) . . ? 
F22 B2 F21 121.6(39) . . ? 
F23 B2 F21 116.5(27) . . ? 
F24 B2 F21 93.1(26) . . ? 
 
_refine_diff_density_max    1.146
_refine_diff_density_min   -0.515 
_refine_diff_density_rms    0.104 
#===END