Supplementary Material (ESI) for Dalton Transactions
This journal is (c) The Royal Society of Chemistry 2001

data_global 
_journal_coden_Cambridge      186

_publ_requested_journal       'Dalton Transactions'

loop_
_publ_author_name
'Barigelletti, F.'
'Barthram, Anita M.'
'Couchman, Samantha M.'
'Encinas, Susana'
'Farran Morales, Angeles'
'George, Michael W.'
'Grills, David C.'
'Jeffrey, John C.'
'Ward, Mike'
'White, Claire M.'


_publ_contact_author_name     	'Dr Mike Ward'  
_publ_contact_author_address 
;
School of Chemistry
University of Bristol
Cantock's Close
Bristol
BS8  1TS
UK
;

_publ_contact_author_email       'MIKE.WARD@BRISTOL.AC.UK'

_publ_section_title		
;
Derivatives of the [Ru(bipy)(CN)4]2- chromophore with pendant
pyridyl-based binding sites: synthesis, pH dependent- luminescence, and
time-resolved infra-red spectroscopic studies
;

_publ_contact_author_fax          '0117 9287655'

_publ_contact_letter
;
This CIF file contains details of the two crystal structures in the paper 
'Derivatives of the [Ru(bipy)(CN)4]2- chromophore with pendant...' by S. Encinas 
et al, submitted to Dalton Transactions for publication.
;

data_srupen 
_database_code_CSD                  167519

_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
'C60 H80 F12 N7 O2.50 P2 Ru' 
_chemical_formula_weight          1330.32 

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' 
'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' 
'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            triclinic 
_symmetry_space_group_name_H-M    P-1 

loop_ 
_symmetry_equiv_pos_as_xyz 
'x, y, z' 
'-x, -y, -z' 

_cell_length_a                    11.728(4) 
_cell_length_b                    16.034(6) 
_cell_length_c                    18.486(6) 
_cell_angle_alpha                 76.14(3) 
_cell_angle_beta                  81.46(5) 
_cell_angle_gamma                 75.21(4) 
_cell_volume                      3249.3(19) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     173(2) 
_cell_measurement_reflns_used     ? 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 

_exptl_crystal_description        plate 
_exptl_crystal_colour             orange 
_exptl_crystal_size_max           0.5 
_exptl_crystal_size_mid           0.2 
_exptl_crystal_size_min           0.05 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.360 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              1382 
_exptl_absorpt_coefficient_mu     0.372 
_exptl_absorpt_correction_type    
'Empirical, pseudo-azimuthal scan (SADABS)' 
_exptl_absorpt_correction_T_min   0.82 
_exptl_absorpt_correction_T_max   0.98 
_exptl_absorpt_process_details    ? 

_exptl_special_details 
; 
? 
; 

_diffrn_ambient_temperature       123(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   'Siemens SMART Area Detector' 
_diffrn_measurement_method        '\w rotation with narrow frames (0.3 degrees)'
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             22259 
_diffrn_reflns_av_R_equivalents   0.1102 
_diffrn_reflns_av_sigmaI/netI     0.1458 
_diffrn_reflns_limit_h_min        -12 
_diffrn_reflns_limit_h_max        12 
_diffrn_reflns_limit_k_min        -17 
_diffrn_reflns_limit_k_max        17 
_diffrn_reflns_limit_l_min        -19 
_diffrn_reflns_limit_l_max        19 
_diffrn_reflns_theta_min          1.57 
_diffrn_reflns_theta_max          22.50 
_reflns_number_total              8486 
_reflns_number_gt                 4962 
_reflns_threshold_expression      >2sigma(I) 

_computing_data_collection        'SMART' 
_computing_cell_refinement        'SAINT' 
_computing_data_reduction         'XPREP' 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1997)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     'XP' 
_computing_publication_material   'XCIF'

_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^)+(0.1443P)^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          8486 
_refine_ls_number_parameters      792 
_refine_ls_number_restraints      141 
_refine_ls_R_factor_all           0.1601 
_refine_ls_R_factor_gt            0.0957 
_refine_ls_wR_factor_ref          0.2724 
_refine_ls_wR_factor_gt           0.2363 
_refine_ls_goodness_of_fit_ref    1.089 
_refine_ls_restrained_S_all       1.088 
_refine_ls_shift/su_max           0.002 
_refine_ls_shift/su_mean          0.000 

loop_ 
_atom_site_label 
_atom_site_type_symbol 
_atom_site_fract_x 
_atom_site_fract_y 
_atom_site_fract_z 
_atom_site_U_iso_or_equiv 
_atom_site_adp_type 
_atom_site_occupancy 
_atom_site_symmetry_multiplicity 
_atom_site_calc_flag 
_atom_site_refinement_flags 
_atom_site_disorder_assembly 
_atom_site_disorder_group 
Ru1 Ru 0.79802(8) 0.75237(5) 0.23166(5) 0.0320(3) Uani 1 1 d . . . 
N111 N 0.8112(8) 0.8492(6) 0.2836(4) 0.038(2) Uani 1 1 d . . . 
C112 C 0.7312(10) 0.9284(7) 0.2656(6) 0.037(3) Uani 1 1 d . . . 
C113 C 0.7348(11) 0.9987(7) 0.2965(6) 0.047(3) Uani 1 1 d . . . 
H11A H 0.6790 1.0532 0.2838 0.057 Uiso 1 1 calc R . . 
C114 C 0.8173(13) 0.9914(8) 0.3451(7) 0.060(4) Uani 1 1 d . . . 
C115 C 0.8941(12) 0.9101(8) 0.3632(7) 0.057(4) Uani 1 1 d . . . 
H11B H 0.9501 0.9012 0.3981 0.069 Uiso 1 1 calc R . . 
C116 C 0.8906(11) 0.8415(8) 0.3309(6) 0.049(3) Uani 1 1 d . . . 
H11C H 0.9467 0.7870 0.3428 0.059 Uiso 1 1 calc R . . 
C117 C 0.8230(15) 1.0670(9) 0.3792(7) 0.071(4) Uani 1 1 d U . . 
C118 C 0.7512(19) 1.1507(10) 0.3487(11) 0.150(10) Uani 1 1 d DU . . 
H11D H 0.7572 1.1592 0.2941 0.225 Uiso 1 1 calc R . . 
H11E H 0.7784 1.1975 0.3621 0.225 Uiso 1 1 calc R . . 
H11F H 0.6685 1.1531 0.3688 0.225 Uiso 1 1 calc R . . 
C119 C 0.8259(19) 1.0420(10) 0.4617(8) 0.143(9) Uani 1 1 d DU . . 
H11G H 0.8768 0.9828 0.4755 0.214 Uiso 1 1 calc R . . 
H11H H 0.7455 1.0420 0.4857 0.214 Uiso 1 1 calc R . . 
H11I H 0.8573 1.0844 0.4786 0.214 Uiso 1 1 calc R . . 
C120 C 0.964(2) 1.0859(14) 0.3526(12) 0.166(10) Uani 1 1 d DU . . 
H12A H 1.0230 1.0320 0.3704 0.250 Uiso 1 1 calc R . . 
H12B H 0.9729 1.1336 0.3744 0.250 Uiso 1 1 calc R . . 
H12C H 0.9756 1.1027 0.2979 0.250 Uiso 1 1 calc R . . 
N121 N 0.6593(8) 0.8537(6) 0.1926(4) 0.036(2) Uani 1 1 d . . . 
C122 C 0.6444(9) 0.9318(7) 0.2155(5) 0.033(3) Uani 1 1 d . . . 
C123 C 0.5574(10) 1.0044(7) 0.1907(6) 0.039(3) Uani 1 1 d . . . 
H12D H 0.5519 1.0578 0.2063 0.047 Uiso 1 1 calc R . . 
C124 C 0.4763(10) 1.0020(7) 0.1428(7) 0.046(3) Uani 1 1 d . . . 
C125 C 0.4903(10) 0.9216(7) 0.1222(6) 0.044(3) Uani 1 1 d . . . 
H12E H 0.4373 0.9156 0.0906 0.053 Uiso 1 1 calc R . . 
C126 C 0.5803(9) 0.8510(7) 0.1472(6) 0.038(3) Uani 1 1 d . . . 
H12F H 0.5873 0.7974 0.1318 0.046 Uiso 1 1 calc R . . 
C127 C 0.3817(11) 1.0837(8) 0.1123(8) 0.059(4) Uani 1 1 d . . . 
C128 C 0.3050(11) 1.0640(9) 0.0617(8) 0.069(4) Uani 1 1 d . . . 
H12G H 0.3547 1.0448 0.0185 0.104 Uiso 1 1 calc R . . 
H12H H 0.2449 1.1175 0.0443 0.104 Uiso 1 1 calc R . . 
H12I H 0.2659 1.0172 0.0896 0.104 Uiso 1 1 calc R . . 
C129 C 0.4421(12) 1.1573(8) 0.0692(8) 0.073(4) Uani 1 1 d . . . 
H12J H 0.4917 1.1387 0.0257 0.109 Uiso 1 1 calc R . . 
H12K H 0.4915 1.1695 0.1019 0.109 Uiso 1 1 calc R . . 
H12L H 0.3817 1.2107 0.0524 0.109 Uiso 1 1 calc R . . 
C130 C 0.3055(13) 1.1132(10) 0.1787(8) 0.088(5) Uani 1 1 d . . . 
H13A H 0.3551 1.1253 0.2114 0.132 Uiso 1 1 calc R . . 
H13B H 0.2660 1.0666 0.2065 0.132 Uiso 1 1 calc R . . 
H13C H 0.2458 1.1669 0.1614 0.132 Uiso 1 1 calc R . . 
N211 N 0.7790(7) 0.6720(5) 0.1657(4) 0.028(2) Uani 1 1 d . . . 
C212 C 0.8343(9) 0.6837(6) 0.0948(6) 0.030(3) Uani 1 1 d . . . 
C213 C 0.8206(9) 0.6384(6) 0.0429(6) 0.028(2) Uani 1 1 d . . . 
H21A H 0.8598 0.6495 -0.0060 0.034 Uiso 1 1 calc R . . 
C214 C 0.7498(9) 0.5764(6) 0.0615(6) 0.030(2) Uani 1 1 d . . . 
C215 C 0.6986(9) 0.5641(6) 0.1345(6) 0.035(3) Uani 1 1 d U . . 
H21B H 0.6513 0.5218 0.1507 0.042 Uiso 1 1 calc R . . 
C216 C 0.7132(9) 0.6100(6) 0.1837(6) 0.034(3) Uani 1 1 d . . . 
H21C H 0.6758 0.5984 0.2331 0.040 Uiso 1 1 calc R . . 
C217 C 0.7342(9) 0.5261(6) 0.0061(6) 0.036(3) Uani 1 1 d . . . 
C218 C 0.6793(10) 0.5916(7) -0.0633(6) 0.047(3) Uani 1 1 d . . . 
H21D H 0.6694 0.5585 -0.0992 0.071 Uiso 1 1 calc R . . 
H21E H 0.7319 0.6312 -0.0868 0.071 Uiso 1 1 calc R . . 
H21F H 0.6020 0.6264 -0.0475 0.071 Uiso 1 1 calc R . . 
C219 C 0.6511(9) 0.4633(7) 0.0382(7) 0.046(3) Uani 1 1 d . . . 
H21G H 0.6441 0.4322 0.0000 0.069 Uiso 1 1 calc R . . 
H21H H 0.5728 0.4973 0.0534 0.069 Uiso 1 1 calc R . . 
H21I H 0.6835 0.4202 0.0818 0.069 Uiso 1 1 calc R . . 
C220 C 0.8543(9) 0.4712(7) -0.0184(6) 0.043(3) Uani 1 1 d . . . 
H22A H 0.8440 0.4385 -0.0545 0.065 Uiso 1 1 calc R . . 
H22B H 0.8884 0.4295 0.0254 0.065 Uiso 1 1 calc R . . 
H22C H 0.9076 0.5103 -0.0417 0.065 Uiso 1 1 calc R . . 
N221 N 0.9030(7) 0.7902(5) 0.1358(4) 0.028(2) Uani 1 1 d . . . 
C222 C 0.9068(9) 0.7520(6) 0.0783(6) 0.026(2) Uani 1 1 d . . . 
C223 C 0.9753(9) 0.7710(6) 0.0120(6) 0.033(3) Uani 1 1 d . . . 
H22D H 0.9758 0.7416 -0.0270 0.040 Uiso 1 1 calc R . . 
C224 C 1.0448(9) 0.8337(6) 0.0014(6) 0.030(3) Uani 1 1 d . . . 
C225 C 1.0409(9) 0.8702(7) 0.0616(6) 0.038(3) Uani 1 1 d . . . 
H22E H 1.0883 0.9113 0.0582 0.046 Uiso 1 1 calc R . . 
C226 C 0.9709(9) 0.8499(6) 0.1272(6) 0.035(3) Uani 1 1 d . . . 
H22F H 0.9699 0.8781 0.1671 0.042 Uiso 1 1 calc R . . 
C227 C 1.1210(9) 0.8558(7) -0.0720(6) 0.037(3) Uani 1 1 d . . . 
C228 C 1.1998(10) 0.9157(7) -0.0680(6) 0.049(3) Uani 1 1 d D . . 
H22G H 1.1508 0.9705 -0.0549 0.073 Uiso 1 1 calc R . . 
H22H H 1.2448 0.9296 -0.1166 0.073 Uiso 1 1 calc R . . 
H22I H 1.2548 0.8860 -0.0297 0.073 Uiso 1 1 calc R . . 
C229 C 1.1981(10) 0.7712(7) -0.0925(6) 0.051(3) Uani 1 1 d D . . 
H22J H 1.1477 0.7320 -0.0953 0.077 Uiso 1 1 calc R . . 
H22K H 1.2531 0.7417 -0.0543 0.077 Uiso 1 1 calc R . . 
H22L H 1.2429 0.7855 -0.1412 0.077 Uiso 1 1 calc R . . 
C230 C 1.0365(9) 0.9014(7) -0.1332(6) 0.044(3) Uani 1 1 d D . . 
H23A H 0.9858 0.8624 -0.1359 0.067 Uiso 1 1 calc R . . 
H23B H 1.0827 0.9144 -0.1816 0.067 Uiso 1 1 calc R . . 
H23C H 0.9871 0.9566 -0.1212 0.067 Uiso 1 1 calc R . . 
N311 N 0.9302(8) 0.6526(5) 0.2823(5) 0.036(2) Uani 1 1 d . . . 
C312 C 0.8939(10) 0.6024(7) 0.3489(6) 0.040(3) Uani 1 1 d . . . 
C313 C 0.9737(11) 0.5325(7) 0.3857(7) 0.052(3) Uani 1 1 d . . . 
H31A H 0.9488 0.4984 0.4321 0.062 Uiso 1 1 calc R . . 
C314 C 1.0895(11) 0.5112(7) 0.3559(7) 0.056(4) Uani 1 1 d . . . 
H31B H 1.1437 0.4618 0.3811 0.067 Uiso 1 1 calc R . . 
C315 C 1.1268(10) 0.5617(7) 0.2891(7) 0.048(3) Uani 1 1 d . . . 
H31C H 1.2066 0.5487 0.2680 0.058 Uiso 1 1 calc R . . 
C316 C 1.0445(11) 0.6312(7) 0.2547(6) 0.042(3) Uani 1 1 d . . . 
H31D H 1.0691 0.6663 0.2088 0.050 Uiso 1 1 calc R . . 
N321 N 0.7061(8) 0.6975(6) 0.3274(5) 0.039(2) Uani 1 1 d . . . 
C322 C 0.7697(10) 0.6292(7) 0.3750(6) 0.036(3) Uani 1 1 d . . . 
C323 C 0.7191(11) 0.5896(7) 0.4428(6) 0.045(3) Uani 1 1 d . . . 
H32A H 0.7663 0.5423 0.4750 0.055 Uiso 1 1 calc R . . 
C324 C 0.5996(11) 0.6188(8) 0.4639(6) 0.050(3) Uani 1 1 d . . . 
C325 C 0.5347(11) 0.6874(8) 0.4158(6) 0.051(3) Uani 1 1 d . . . 
H32B H 0.4527 0.7091 0.4287 0.061 Uiso 1 1 calc R . . 
C326 C 0.5888(11) 0.7251(7) 0.3483(6) 0.047(3) Uani 1 1 d . . . 
H32C H 0.5422 0.7719 0.3154 0.056 Uiso 1 1 calc R . . 
N331 N 0.4330(13) 0.5034(9) 0.6772(7) 0.090(4) Uani 1 1 d . . . 
C332 C 0.3719(16) 0.5713(11) 0.6299(9) 0.104(6) Uani 1 1 d . . . 
H33B H 0.2901 0.5929 0.6434 0.125 Uiso 1 1 calc R . . 
C333 C 0.4230(16) 0.6117(10) 0.5618(9) 0.095(5) Uani 1 1 d . . . 
H33C H 0.3764 0.6609 0.5310 0.114 Uiso 1 1 calc R . . 
C334 C 0.5425(12) 0.5804(8) 0.5384(8) 0.061(4) Uani 1 1 d . . . 
C335 C 0.6018(12) 0.5057(9) 0.5856(7) 0.061(4) Uani 1 1 d . . . 
H33D H 0.6813 0.4784 0.5715 0.074 Uiso 1 1 calc R . . 
C336 C 0.5446(14) 0.4706(9) 0.6537(7) 0.061(4) Uani 1 1 d . . . 
H33E H 0.5882 0.4203 0.6851 0.074 Uiso 1 1 calc R . . 
P1 P 0.3486(3) 0.6907(2) 0.13280(18) 0.0465(9) Uani 1 1 d . . . 
F11 F 0.4310(7) 0.6793(5) 0.0578(4) 0.079(2) Uani 1 1 d . . . 
F12 F 0.4567(6) 0.6973(5) 0.1737(4) 0.068(2) Uani 1 1 d . . . 
F13 F 0.3793(6) 0.5861(4) 0.1620(4) 0.065(2) Uani 1 1 d . . . 
F14 F 0.2380(6) 0.6841(4) 0.0948(4) 0.0592(19) Uani 1 1 d . . . 
F15 F 0.3169(6) 0.7948(4) 0.1036(4) 0.063(2) Uani 1 1 d . . . 
F16 F 0.2647(6) 0.7019(4) 0.2082(4) 0.064(2) Uani 1 1 d . . . 
P2 P 0.0830(5) 0.7053(3) 0.5066(3) 0.0985(18) Uani 1 1 d . . . 
F21 F -0.0287(9) 0.6669(6) 0.5007(6) 0.124(4) Uani 1 1 d . . . 
F22 F 0.0772(17) 0.6725(7) 0.5919(6) 0.218(8) Uani 1 1 d . . . 
F23 F 0.1952(12) 0.7438(7) 0.5087(9) 0.186(7) Uani 1 1 d . . . 
F24 F -0.0046(11) 0.7955(5) 0.5155(5) 0.123(4) Uani 1 1 d . . . 
F25 F 0.1641(9) 0.6130(5) 0.4983(5) 0.108(3) Uani 1 1 d . . . 
F26 F 0.0979(9) 0.7399(6) 0.4206(5) 0.123(4) Uani 1 1 d . . . 
O1 O 0.9520(8) 0.6888(6) 0.8583(5) 0.068(3) Uani 1 1 d DU A . 
C1 C 0.9887(15) 0.6554(11) 0.8071(9) 0.098(6) Uani 1 1 d DU . . 
C2' C 1.113(3) 0.663(3) 0.7659(17) 0.104(12) Uani 0.50 1 d PDU A 2 
C2 C 1.071(3) 0.593(2) 0.7819(18) 0.081(9) Uiso 0.50 1 d PD A 1 
C3 C 0.891(3) 0.706(3) 0.7343(16) 0.117(15) Uani 0.50 1 d PDU A 1 
C3' C 0.976(4) 0.581(2) 0.7822(16) 0.118(15) Uani 0.50 1 d PDU A 2 
C4 C 0.434(2) 0.970(2) 0.3842(13) 0.183(12) Uani 1 1 d DU . . 
C5 C 0.337(2) 0.9292(15) 0.3688(11) 0.184(13) Uani 1 1 d DU . . 
O6 O 0.3676(13) 0.8907(9) 0.3072(7) 0.142(5) Uani 1 1 d DU . . 
C7 C 0.2953(16) 0.8363(11) 0.2962(10) 0.111(7) Uani 1 1 d DU . . 
C8 C 0.1865(17) 0.8913(14) 0.2566(13) 0.145(8) Uani 1 1 d DU . . 
C9 C 0.663(5) 0.831(3) 0.543(2) 0.23(3) Uani 0.50 1 d PDU . . 
C10 C 0.672(3) 0.751(2) 0.6053(19) 0.17(2) Uani 0.50 1 d PDU . . 
O11 O 0.5928(19) 0.7601(18) 0.6696(14) 0.146(12) Uani 0.50 1 d PDU . . 
C12 C 0.586(3) 0.6831(19) 0.7220(18) 0.17(2) Uani 0.50 1 d PDU . . 
C13 C 0.485(3) 0.684(2) 0.7800(15) 0.087(10) Uiso 0.50 1 d PD . . 

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 
Ru1 0.0297(6) 0.0280(5) 0.0426(6) 0.0006(4) -0.0070(4) -0.0196(4) 
N111 0.042(6) 0.047(6) 0.034(5) 0.001(4) -0.006(5) -0.032(5) 
C112 0.048(8) 0.028(6) 0.038(6) 0.006(5) -0.011(6) -0.023(6) 
C113 0.055(8) 0.035(7) 0.055(8) -0.008(6) -0.007(7) -0.016(6) 
C114 0.077(10) 0.047(8) 0.067(9) -0.020(7) -0.021(8) -0.023(8) 
C115 0.076(10) 0.047(8) 0.060(8) -0.002(7) -0.039(7) -0.024(7) 
C116 0.062(9) 0.040(7) 0.053(7) -0.004(6) -0.029(7) -0.018(6) 
C117 0.111(13) 0.053(9) 0.064(9) -0.008(7) -0.040(9) -0.031(9) 
C118 0.20(2) 0.066(11) 0.22(2) -0.075(14) -0.134(19) 0.015(13) 
C119 0.30(3) 0.079(12) 0.074(12) -0.035(10) -0.020(15) -0.060(15) 
C120 0.20(3) 0.140(19) 0.20(2) -0.075(18) 0.01(2) -0.103(19) 
N121 0.038(6) 0.041(6) 0.037(5) 0.005(4) -0.009(4) -0.031(5) 
C122 0.037(7) 0.034(7) 0.031(6) 0.007(5) -0.005(5) -0.026(6) 
C123 0.039(7) 0.023(6) 0.058(7) 0.001(5) -0.003(6) -0.019(6) 
C124 0.033(7) 0.036(7) 0.068(8) -0.004(6) -0.002(6) -0.013(6) 
C125 0.029(7) 0.032(7) 0.068(8) 0.005(6) -0.017(6) -0.008(6) 
C126 0.031(7) 0.037(7) 0.057(7) -0.009(6) -0.009(6) -0.025(6) 
C127 0.044(8) 0.048(8) 0.086(10) -0.025(7) -0.002(8) -0.007(7) 
C128 0.048(9) 0.061(9) 0.095(10) 0.001(8) -0.033(8) -0.008(7) 
C129 0.073(10) 0.037(7) 0.107(11) 0.012(8) -0.026(9) -0.027(7) 
C130 0.055(10) 0.098(12) 0.111(13) -0.036(10) -0.023(9) 0.005(9) 
N211 0.014(5) 0.032(5) 0.038(5) -0.003(4) 0.000(4) -0.013(4) 
C212 0.021(6) 0.019(5) 0.048(7) 0.001(5) -0.012(5) -0.004(5) 
C213 0.025(6) 0.027(6) 0.035(6) -0.004(5) -0.007(5) -0.007(5) 
C214 0.019(6) 0.028(6) 0.047(7) -0.009(5) -0.006(5) -0.011(5) 
C215 0.026(7) 0.028(6) 0.060(8) -0.006(6) -0.014(6) -0.019(5) 
C216 0.023(6) 0.026(6) 0.052(7) 0.007(5) -0.008(5) -0.019(5) 
C217 0.025(7) 0.025(6) 0.061(7) -0.007(6) -0.008(6) -0.010(5) 
C218 0.038(7) 0.038(7) 0.072(8) -0.020(6) -0.014(6) -0.007(6) 
C219 0.028(7) 0.036(7) 0.087(9) -0.018(6) -0.008(6) -0.024(6) 
C220 0.039(7) 0.030(6) 0.073(8) -0.022(6) -0.014(6) -0.016(6) 
N221 0.026(5) 0.020(4) 0.037(5) 0.002(4) -0.005(4) -0.011(4) 
C222 0.025(6) 0.018(5) 0.036(6) -0.005(5) 0.001(5) -0.012(5) 
C223 0.026(6) 0.029(6) 0.048(7) -0.004(5) -0.018(6) -0.008(5) 
C224 0.028(6) 0.022(6) 0.042(7) 0.002(5) -0.007(5) -0.015(5) 
C225 0.020(6) 0.027(6) 0.067(8) 0.003(6) -0.008(6) -0.015(5) 
C226 0.030(7) 0.032(6) 0.049(7) -0.008(5) -0.001(6) -0.017(5) 
C227 0.035(7) 0.037(7) 0.039(6) -0.002(5) -0.003(5) -0.015(6) 
C228 0.043(8) 0.044(7) 0.058(8) 0.016(6) -0.006(6) -0.032(6) 
C229 0.042(8) 0.048(7) 0.060(8) 0.001(6) 0.009(6) -0.022(6) 
C230 0.041(7) 0.049(7) 0.047(7) -0.002(6) -0.002(6) -0.025(6) 
N311 0.039(6) 0.025(5) 0.052(6) -0.008(5) -0.012(5) -0.017(5) 
C312 0.049(8) 0.029(6) 0.050(7) 0.000(6) -0.012(6) -0.023(6) 
C313 0.039(8) 0.039(7) 0.071(9) 0.010(7) -0.012(7) -0.015(6) 
C314 0.049(9) 0.029(7) 0.080(9) 0.013(7) -0.025(7) -0.005(6) 
C315 0.030(7) 0.040(7) 0.076(9) -0.009(7) -0.012(7) -0.010(6) 
C316 0.042(8) 0.040(7) 0.048(7) -0.004(6) -0.001(6) -0.023(6) 
N321 0.033(6) 0.040(6) 0.049(6) -0.003(5) -0.010(5) -0.020(5) 
C322 0.033(7) 0.032(6) 0.051(7) -0.009(6) -0.010(6) -0.018(6) 
C323 0.044(8) 0.049(7) 0.042(7) 0.013(6) -0.011(6) -0.026(6) 
C324 0.055(9) 0.059(8) 0.042(7) 0.004(6) 0.001(7) -0.041(7) 
C325 0.033(7) 0.056(8) 0.057(8) 0.012(7) -0.005(6) -0.018(6) 
C326 0.043(8) 0.045(7) 0.052(8) 0.012(6) -0.013(6) -0.026(6) 
N331 0.083(11) 0.096(10) 0.082(9) 0.005(8) 0.007(8) -0.032(9) 
C332 0.101(14) 0.090(12) 0.081(12) 0.033(10) 0.018(11) -0.012(11) 
C333 0.093(14) 0.079(11) 0.083(11) 0.016(9) -0.004(10) 0.001(10) 
C334 0.055(10) 0.049(8) 0.078(10) -0.007(8) -0.014(8) -0.012(7) 
C335 0.055(9) 0.070(9) 0.060(8) 0.003(8) -0.010(7) -0.029(8) 
C336 0.071(11) 0.074(10) 0.040(8) 0.011(7) -0.006(7) -0.040(9) 
P1 0.0292(19) 0.049(2) 0.063(2) -0.0077(17) -0.0052(17) -0.0168(16) 
F11 0.066(5) 0.087(6) 0.084(5) -0.021(5) 0.016(4) -0.028(5) 
F12 0.036(4) 0.070(5) 0.105(6) -0.005(4) -0.026(4) -0.025(4) 
F13 0.050(5) 0.044(4) 0.102(5) -0.005(4) -0.019(4) -0.012(3) 
F14 0.047(4) 0.061(4) 0.081(5) -0.018(4) -0.024(4) -0.019(4) 
F15 0.051(5) 0.055(4) 0.089(5) -0.004(4) -0.017(4) -0.028(4) 
F16 0.055(5) 0.073(5) 0.077(5) -0.022(4) -0.006(4) -0.035(4) 
P2 0.170(5) 0.048(3) 0.090(3) 0.004(2) -0.075(3) -0.029(3) 
F21 0.110(8) 0.089(7) 0.195(10) -0.034(7) -0.034(7) -0.048(6) 
F22 0.44(3) 0.108(9) 0.089(8) 0.012(7) -0.121(12) -0.009(12) 
F23 0.181(13) 0.084(7) 0.312(17) -0.021(9) -0.168(13) -0.002(8) 
F24 0.197(11) 0.059(6) 0.123(8) -0.001(5) -0.075(8) -0.028(6) 
F25 0.140(9) 0.048(5) 0.128(7) -0.010(5) -0.027(7) -0.009(5) 
F26 0.126(9) 0.114(8) 0.104(7) 0.021(6) -0.042(6) -0.008(7) 
O1 0.077(7) 0.083(7) 0.062(6) -0.035(5) 0.011(5) -0.040(6) 
C1 0.126(16) 0.116(15) 0.079(12) -0.047(11) 0.030(12) -0.076(13) 
C2' 0.11(3) 0.15(3) 0.07(2) -0.05(2) 0.01(2) -0.06(3) 
C3 0.08(2) 0.18(3) 0.07(2) -0.07(2) -0.034(17) 0.08(2) 
C3' 0.15(3) 0.18(4) 0.08(2) -0.09(2) 0.04(2) -0.13(3) 
C4 0.16(2) 0.30(3) 0.17(2) -0.14(2) 0.058(17) -0.16(2) 
C5 0.34(4) 0.18(2) 0.099(15) -0.087(16) 0.051(19) -0.17(2) 
O6 0.189(15) 0.134(11) 0.110(10) -0.016(9) -0.019(10) -0.057(11) 
C7 0.118(15) 0.113(14) 0.147(16) -0.028(12) -0.045(13) -0.088(13) 
C8 0.096(16) 0.141(18) 0.20(2) -0.027(17) -0.024(16) -0.037(14) 
C9 0.16(5) 0.19(5) 0.30(6) 0.01(5) 0.04(5) -0.09(4) 
C10 0.20(5) 0.07(2) 0.25(5) 0.03(3) -0.12(4) -0.06(3) 
O11 0.058(16) 0.24(3) 0.13(2) 0.01(2) -0.056(15) -0.038(19) 
C12 0.21(5) 0.15(3) 0.18(4) 0.09(3) -0.15(4) -0.15(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 
Ru1 N211 2.044(8) . ? 
Ru1 N111 2.059(9) . ? 
Ru1 N321 2.060(9) . ? 
Ru1 N121 2.060(9) . ? 
Ru1 N221 2.060(8) . ? 
Ru1 N311 2.070(9) . ? 
N111 C116 1.333(13) . ? 
N111 C112 1.373(13) . ? 
C112 C113 1.393(14) . ? 
C112 C122 1.458(14) . ? 
C113 C114 1.380(16) . ? 
C114 C115 1.380(16) . ? 
C114 C117 1.514(17) . ? 
C115 C116 1.383(15) . ? 
C117 C118 1.425(18) . ? 
C117 C119 1.485(17) . ? 
C117 C120 1.73(2) . ? 
N121 C126 1.354(13) . ? 
N121 C122 1.378(13) . ? 
C122 C123 1.373(14) . ? 
C123 C124 1.406(15) . ? 
C124 C125 1.393(15) . ? 
C124 C127 1.534(16) . ? 
C125 C126 1.376(14) . ? 
C127 C130 1.506(17) . ? 
C127 C128 1.524(17) . ? 
C127 C129 1.528(17) . ? 
N211 C216 1.360(12) . ? 
N211 C212 1.365(12) . ? 
C212 C213 1.382(13) . ? 
C212 C222 1.502(13) . ? 
C213 C214 1.404(13) . ? 
C214 C215 1.382(14) . ? 
C214 C217 1.503(14) . ? 
C215 C216 1.353(14) . ? 
C217 C220 1.528(14) . ? 
C217 C219 1.536(14) . ? 
C217 C218 1.555(14) . ? 
N221 C222 1.337(12) . ? 
N221 C226 1.362(12) . ? 
C222 C223 1.376(13) . ? 
C223 C224 1.410(13) . ? 
C224 C225 1.367(14) . ? 
C224 C227 1.529(14) . ? 
C225 C226 1.378(14) . ? 
C227 C228 1.513(14) . ? 
C227 C229 1.523(14) . ? 
C227 C230 1.538(14) . ? 
N311 C316 1.349(13) . ? 
N311 C312 1.375(13) . ? 
C312 C313 1.372(15) . ? 
C312 C322 1.452(15) . ? 
C313 C314 1.378(16) . ? 
C314 C315 1.382(15) . ? 
C315 C316 1.368(15) . ? 
N321 C322 1.358(13) . ? 
N321 C326 1.360(14) . ? 
C322 C323 1.386(14) . ? 
C323 C324 1.388(16) . ? 
C324 C325 1.373(15) . ? 
C324 C334 1.502(16) . ? 
C325 C326 1.387(15) . ? 
N331 C336 1.329(17) . ? 
N331 C332 1.340(18) . ? 
C332 C333 1.396(19) . ? 
C333 C334 1.403(19) . ? 
C334 C335 1.391(16) . ? 
C335 C336 1.398(16) . ? 
P1 F11 1.588(8) . ? 
P1 F15 1.590(7) . ? 
P1 F13 1.596(7) . ? 
P1 F14 1.601(7) . ? 
P1 F16 1.602(7) . ? 
P1 F12 1.608(7) . ? 
P2 F22 1.535(11) . ? 
P2 F26 1.552(10) . ? 
P2 F25 1.570(9) . ? 
P2 F24 1.575(10) . ? 
P2 F23 1.599(13) . ? 
P2 F21 1.610(10) . ? 
O1 C1 1.172(17) . ? 
C1 C2 1.33(4) . ? 
C1 C3' 1.43(3) . ? 
C1 C2' 1.56(4) . ? 
C1 C3 1.80(3) . ? 
C4 C5 1.54(2) . ? 
C5 O6 1.381(15) . ? 
O6 C7 1.426(14) . ? 
C7 C8 1.527(19) . ? 
C9 C10 1.49(2) . ? 
C10 O11 1.41(2) . ? 
O11 C12 1.386(19) . ? 
C12 C13 1.48(2) . ? 

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 
N211 Ru1 N111 170.9(3) . . ? 
N211 Ru1 N321 97.3(3) . . ? 
N111 Ru1 N321 89.3(3) . . ? 
N211 Ru1 N121 94.6(3) . . ? 
N111 Ru1 N121 78.4(4) . . ? 
N321 Ru1 N121 96.8(3) . . ? 
N211 Ru1 N221 78.0(3) . . ? 
N111 Ru1 N221 96.0(3) . . ? 
N321 Ru1 N221 172.3(3) . . ? 
N121 Ru1 N221 89.7(3) . . ? 
N211 Ru1 N311 89.7(3) . . ? 
N111 Ru1 N311 97.7(3) . . ? 
N321 Ru1 N311 78.3(4) . . ? 
N121 Ru1 N311 173.8(3) . . ? 
N221 Ru1 N311 95.5(3) . . ? 
C116 N111 C112 118.8(10) . . ? 
C116 N111 Ru1 125.8(8) . . ? 
C112 N111 Ru1 115.4(7) . . ? 
N111 C112 C113 119.7(10) . . ? 
N111 C112 C122 116.2(9) . . ? 
C113 C112 C122 124.1(11) . . ? 
C114 C113 C112 121.8(11) . . ? 
C113 C114 C115 116.7(11) . . ? 
C113 C114 C117 122.7(12) . . ? 
C115 C114 C117 120.6(12) . . ? 
C114 C115 C116 120.7(11) . . ? 
N111 C116 C115 122.3(11) . . ? 
C118 C117 C119 117.6(14) . . ? 
C118 C117 C114 115.6(12) . . ? 
C119 C117 C114 113.1(12) . . ? 
C118 C117 C120 101.3(14) . . ? 
C119 C117 C120 100.1(12) . . ? 
C114 C117 C120 106.2(13) . . ? 
C126 N121 C122 116.5(9) . . ? 
C126 N121 Ru1 126.5(8) . . ? 
C122 N121 Ru1 116.9(7) . . ? 
C123 C122 N121 121.7(9) . . ? 
C123 C122 C112 125.2(10) . . ? 
N121 C122 C112 113.0(9) . . ? 
C122 C123 C124 121.7(10) . . ? 
C125 C124 C123 115.8(10) . . ? 
C125 C124 C127 122.0(11) . . ? 
C123 C124 C127 122.2(11) . . ? 
C126 C125 C124 120.5(11) . . ? 
N121 C126 C125 123.7(10) . . ? 
C130 C127 C128 109.6(11) . . ? 
C130 C127 C129 108.9(12) . . ? 
C128 C127 C129 109.8(11) . . ? 
C130 C127 C124 107.1(11) . . ? 
C128 C127 C124 112.1(10) . . ? 
C129 C127 C124 109.3(10) . . ? 
C216 N211 C212 116.0(9) . . ? 
C216 N211 Ru1 127.0(7) . . ? 
C212 N211 Ru1 116.9(6) . . ? 
N211 C212 C213 122.5(9) . . ? 
N211 C212 C222 113.8(9) . . ? 
C213 C212 C222 123.7(9) . . ? 
C212 C213 C214 120.9(9) . . ? 
C215 C214 C213 114.9(9) . . ? 
C215 C214 C217 123.2(9) . . ? 
C213 C214 C217 121.8(9) . . ? 
C216 C215 C214 122.5(9) . . ? 
C215 C216 N211 123.0(10) . . ? 
C214 C217 C220 109.6(8) . . ? 
C214 C217 C219 112.8(9) . . ? 
C220 C217 C219 107.9(8) . . ? 
C214 C217 C218 109.8(8) . . ? 
C220 C217 C218 109.6(9) . . ? 
C219 C217 C218 107.0(9) . . ? 
C222 N221 C226 117.5(9) . . ? 
C222 N221 Ru1 117.7(6) . . ? 
C226 N221 Ru1 124.7(7) . . ? 
N221 C222 C223 122.8(9) . . ? 
N221 C222 C212 113.4(9) . . ? 
C223 C222 C212 123.7(9) . . ? 
C222 C223 C224 120.7(10) . . ? 
C225 C224 C223 115.2(10) . . ? 
C225 C224 C227 123.5(9) . . ? 
C223 C224 C227 121.3(10) . . ? 
C224 C225 C226 122.6(10) . . ? 
N221 C226 C225 121.2(10) . . ? 
C228 C227 C229 109.0(9) . . ? 
C228 C227 C224 112.5(9) . . ? 
C229 C227 C224 109.8(8) . . ? 
C228 C227 C230 109.7(8) . . ? 
C229 C227 C230 108.5(9) . . ? 
C224 C227 C230 107.4(8) . . ? 
C316 N311 C312 118.5(9) . . ? 
C316 N311 Ru1 126.3(7) . . ? 
C312 N311 Ru1 115.1(7) . . ? 
C313 C312 N311 119.8(11) . . ? 
C313 C312 C322 124.9(10) . . ? 
N311 C312 C322 115.4(10) . . ? 
C312 C313 C314 120.6(11) . . ? 
C313 C314 C315 119.9(11) . . ? 
C316 C315 C314 117.5(11) . . ? 
N311 C316 C315 123.7(10) . . ? 
C322 N321 C326 117.3(9) . . ? 
C322 N321 Ru1 116.6(7) . . ? 
C326 N321 Ru1 126.0(7) . . ? 
N321 C322 C323 122.0(10) . . ? 
N321 C322 C312 114.5(9) . . ? 
C323 C322 C312 123.4(10) . . ? 
C322 C323 C324 120.1(10) . . ? 
C325 C324 C323 118.0(10) . . ? 
C325 C324 C334 120.1(11) . . ? 
C323 C324 C334 121.8(11) . . ? 
C324 C325 C326 120.0(11) . . ? 
N321 C326 C325 122.5(10) . . ? 
C336 N331 C332 116.6(13) . . ? 
N331 C332 C333 122.9(16) . . ? 
C332 C333 C334 120.6(14) . . ? 
C335 C334 C333 115.4(13) . . ? 
C335 C334 C324 121.8(12) . . ? 
C333 C334 C324 122.5(12) . . ? 
C334 C335 C336 120.1(13) . . ? 
N331 C336 C335 124.0(13) . . ? 
F11 P1 F15 90.4(4) . . ? 
F11 P1 F13 89.7(4) . . ? 
F15 P1 F13 179.5(4) . . ? 
F11 P1 F14 89.8(4) . . ? 
F15 P1 F14 89.6(4) . . ? 
F13 P1 F14 89.9(4) . . ? 
F11 P1 F16 179.5(4) . . ? 
F15 P1 F16 89.7(4) . . ? 
F13 P1 F16 90.2(4) . . ? 
F14 P1 F16 89.7(4) . . ? 
F11 P1 F12 92.2(4) . . ? 
F15 P1 F12 90.6(4) . . ? 
F13 P1 F12 89.9(4) . . ? 
F14 P1 F12 178.0(4) . . ? 
F16 P1 F12 88.2(4) . . ? 
F22 P2 F26 175.8(9) . . ? 
F22 P2 F25 88.7(6) . . ? 
F26 P2 F25 90.6(6) . . ? 
F22 P2 F24 90.8(7) . . ? 
F26 P2 F24 90.1(5) . . ? 
F25 P2 F24 176.8(7) . . ? 
F22 P2 F23 90.1(9) . . ? 
F26 P2 F23 85.8(8) . . ? 
F25 P2 F23 91.7(6) . . ? 
F24 P2 F23 91.5(6) . . ? 
F22 P2 F21 92.2(9) . . ? 
F26 P2 F21 91.9(6) . . ? 
F25 P2 F21 87.7(5) . . ? 
F24 P2 F21 89.2(6) . . ? 
F23 P2 F21 177.6(8) . . ? 
O1 C1 C2 145(2) . . ? 
O1 C1 C3' 137.0(17) . . ? 
C2 C1 C3' 50.4(19) . . ? 
O1 C1 C2' 119.9(17) . . ? 
C2 C1 C2' 52.7(18) . . ? 
C3' C1 C2' 99(2) . . ? 
O1 C1 C3 108.2(15) . . ? 
C2 C1 C3 107(2) . . ? 
C3' C1 C3 77.9(19) . . ? 
C2' C1 C3 102.7(18) . . ? 
O6 C5 C4 113.5(16) . . ? 
C5 O6 C7 118.1(15) . . ? 
O6 C7 C8 111.4(13) . . ? 
O11 C10 C9 116(2) . . ? 
C12 O11 C10 116(2) . . ? 
O11 C12 C13 119(2) . . ? 

_diffrn_measured_fraction_theta_max    0.998 
_diffrn_reflns_theta_full              22.50 
_diffrn_measured_fraction_theta_full   0.998 
_refine_diff_density_max    1.452 
_refine_diff_density_min   -0.846 
_refine_diff_density_rms    0.142 
#=END

data_rupts 
_database_code_CSD                  167520

_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
'C44 H36 Cl2 F12 N10 P2 Pt Ru' 
_chemical_formula_weight          1361.83 

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' 
'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' 
'Ru'  'Ru'  -1.2594   0.8363 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
'Pt'  'Pt'  -1.7033   8.3905 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 

_symmetry_cell_setting            monoclinic 
_symmetry_space_group_name_H-M    P2(1)/n 

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

_cell_length_a                    10.7911(15) 
_cell_length_b                    14.057(3) 
_cell_length_c                    31.308(5) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  98.006(12) 
_cell_angle_gamma                 90.00 
_cell_volume                      4702.8(14) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     173(2) 
_cell_measurement_reflns_used     ? 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 

_exptl_crystal_description        block 
_exptl_crystal_colour             orange 
_exptl_crystal_size_max           0.2 
_exptl_crystal_size_mid           0.1 
_exptl_crystal_size_min           0.1 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.923 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              2656 
_exptl_absorpt_coefficient_mu     3.569 
_exptl_absorpt_correction_type    
'Empirical, pseudo-azimuthal scan (SADABS)' 
_exptl_absorpt_correction_T_min   0.48 
_exptl_absorpt_correction_T_max   0.67 
_exptl_absorpt_process_details    ? 

_exptl_special_details 
; 
? 
; 

_diffrn_ambient_temperature       173(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   'Siemens SMART Area Detector' 
_diffrn_measurement_method        '\w rotation with narrow frames (0.3 degrees)'
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             31350 
_diffrn_reflns_av_R_equivalents   0.1175 
_diffrn_reflns_av_sigmaI/netI     0.0834 
_diffrn_reflns_limit_h_min        -11 
_diffrn_reflns_limit_h_max        11 
_diffrn_reflns_limit_k_min        -15 
_diffrn_reflns_limit_k_max        15 
_diffrn_reflns_limit_l_min        -33 
_diffrn_reflns_limit_l_max        33 
_diffrn_reflns_theta_min          1.59 
_diffrn_reflns_theta_max          22.50 
_reflns_number_total              6142 
_reflns_number_gt                 4547 
_reflns_threshold_expression      >2sigma(I) 

_computing_data_collection        'SMART' 
_computing_cell_refinement        'SAINT' 
_computing_data_reduction         'XPREP' 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1997)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     'XP' 
_computing_publication_material   'XCIF' 

_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^)+(0.0392P)^2^+52.5421P] 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          6142 
_refine_ls_number_parameters      651 
_refine_ls_number_restraints      12 
_refine_ls_R_factor_all           0.1042 
_refine_ls_R_factor_gt            0.0708 
_refine_ls_wR_factor_ref          0.1402 
_refine_ls_wR_factor_gt           0.1287 
_refine_ls_goodness_of_fit_ref    1.146 
_refine_ls_restrained_S_all       1.145 
_refine_ls_shift/su_max           0.013 
_refine_ls_shift/su_mean          0.000 

loop_ 
_atom_site_label 
_atom_site_type_symbol 
_atom_site_fract_x 
_atom_site_fract_y 
_atom_site_fract_z 
_atom_site_U_iso_or_equiv 
_atom_site_adp_type 
_atom_site_occupancy 
_atom_site_symmetry_multiplicity 
_atom_site_calc_flag 
_atom_site_refinement_flags 
_atom_site_disorder_assembly 
_atom_site_disorder_group 
Pt1 Pt 1.11931(5) 0.00822(4) 0.053728(18) 0.02958(19) Uani 1 1 d . . . 
Cl1 Cl 1.1779(3) -0.1469(3) 0.06568(13) 0.0455(10) Uani 1 1 d . . . 
Cl2 Cl 1.3245(3) 0.0414(3) 0.04679(12) 0.0398(10) Uani 1 1 d . . . 
Ru2 Ru 0.70440(10) 0.16058(8) 0.16163(4) 0.0259(3) Uani 1 1 d . . . 
N111 N 0.5877(10) 0.2757(8) 0.1677(4) 0.030(3) Uani 1 1 d U . . 
C112 C 0.5227(12) 0.3091(9) 0.1307(4) 0.027(3) Uani 1 1 d U . . 
C113 C 0.4406(13) 0.3867(10) 0.1308(5) 0.038(4) Uani 1 1 d . . . 
H11A H 0.3944 0.4089 0.1046 0.046 Uiso 1 1 calc R . . 
C114 C 0.4283(15) 0.4291(11) 0.1687(5) 0.047(4) Uani 1 1 d . . . 
H11B H 0.3748 0.4827 0.1692 0.056 Uiso 1 1 calc R . . 
C115 C 0.4914(16) 0.3960(11) 0.2058(5) 0.048(5) Uani 1 1 d . . . 
H11C H 0.4792 0.4243 0.2324 0.057 Uiso 1 1 calc R . . 
C116 C 0.5753(13) 0.3197(11) 0.2053(4) 0.036(4) Uani 1 1 d . . . 
H11D H 0.6233 0.2990 0.2314 0.043 Uiso 1 1 calc R . . 
N121 N 0.6261(9) 0.1860(7) 0.0963(3) 0.022(3) Uani 1 1 d . . . 
C122 C 0.5434(12) 0.2585(9) 0.0909(4) 0.021(3) Uani 1 1 d . . . 
C123 C 0.4830(13) 0.2890(10) 0.0512(5) 0.034(4) Uani 1 1 d . . . 
H12A H 0.4277 0.3419 0.0495 0.041 Uiso 1 1 calc R . . 
C124 C 0.5039(13) 0.2420(11) 0.0145(5) 0.038(4) Uani 1 1 d . . . 
H12B H 0.4620 0.2600 -0.0131 0.046 Uiso 1 1 calc R . . 
C125 C 0.5904(11) 0.1657(10) 0.0191(4) 0.027(3) Uani 1 1 d . . . 
H12C H 0.6086 0.1317 -0.0055 0.032 Uiso 1 1 calc R . . 
C126 C 0.6481(11) 0.1412(9) 0.0598(4) 0.024(3) Uani 1 1 d . . . 
N131 N 0.9369(9) -0.0127(7) 0.0582(3) 0.024(3) Uani 1 1 d . . . 
C132 C 0.8642(13) 0.0685(10) 0.0571(4) 0.027(3) Uani 1 1 d . . . 
C133 C 0.7374(12) 0.0592(9) 0.0621(4) 0.026(3) Uani 1 1 d . . . 
C134 C 0.6869(12) -0.0312(9) 0.0651(4) 0.027(3) Uani 1 1 d . . . 
H13A H 0.6002 -0.0382 0.0668 0.033 Uiso 1 1 calc R . . 
C135 C 0.7623(14) -0.1113(11) 0.0655(5) 0.037(4) Uani 1 1 d . . . 
H13B H 0.7290 -0.1735 0.0675 0.044 Uiso 1 1 calc R . . 
C136 C 0.8858(13) -0.0971(10) 0.0630(4) 0.030(4) Uani 1 1 d . . . 
H13C H 0.9390 -0.1513 0.0649 0.036 Uiso 1 1 calc R . . 
N141 N 1.0571(11) 0.1431(8) 0.0441(3) 0.033(3) Uani 1 1 d . . . 
C142 C 0.9342(11) 0.1557(10) 0.0484(4) 0.025(3) Uani 1 1 d . . . 
C143 C 0.8852(12) 0.2476(10) 0.0435(4) 0.029(3) Uani 1 1 d . . . 
H14A H 0.8007 0.2588 0.0474 0.034 Uiso 1 1 calc R . . 
C144 C 0.9575(13) 0.3212(11) 0.0331(4) 0.041(4) Uani 1 1 d . . . 
H14B H 0.9228 0.3832 0.0291 0.049 Uiso 1 1 calc R . . 
C145 C 1.0816(14) 0.3058(10) 0.0284(5) 0.038(4) Uani 1 1 d . . . 
H14C H 1.1329 0.3559 0.0204 0.045 Uiso 1 1 calc R . . 
C146 C 1.1277(13) 0.2151(11) 0.0356(5) 0.037(4) Uani 1 1 d . . . 
H14D H 1.2140 0.2040 0.0344 0.044 Uiso 1 1 calc R . . 
N211 N 0.5667(9) 0.0699(8) 0.1785(4) 0.025(3) Uani 1 1 d . . . 
C212 C 0.5849(13) 0.0431(10) 0.2206(5) 0.034(4) Uani 1 1 d . . . 
C213 C 0.5077(14) -0.0262(10) 0.2342(5) 0.042(4) Uani 1 1 d . . . 
H21A H 0.5186 -0.0436 0.2638 0.051 Uiso 1 1 calc R . . 
C214 C 0.4161(14) -0.0704(10) 0.2064(5) 0.039(4) Uani 1 1 d . . . 
H21B H 0.3677 -0.1209 0.2156 0.047 Uiso 1 1 calc R . . 
C215 C 0.3973(13) -0.0383(10) 0.1642(5) 0.039(4) Uani 1 1 d . . . 
H21C H 0.3313 -0.0634 0.1441 0.047 Uiso 1 1 calc R . . 
C216 C 0.4767(12) 0.0314(9) 0.1518(4) 0.026(3) Uani 1 1 d . . . 
H21D H 0.4650 0.0519 0.1226 0.031 Uiso 1 1 calc R . . 
N221 N 0.7570(9) 0.1491(8) 0.2272(4) 0.029(3) Uani 1 1 d . . . 
C222 C 0.6860(12) 0.0918(10) 0.2478(4) 0.028(3) Uani 1 1 d . . . 
C223 C 0.7093(14) 0.0809(11) 0.2920(5) 0.040(4) Uani 1 1 d . . . 
H22A H 0.6585 0.0394 0.3060 0.049 Uiso 1 1 calc R . . 
C224 C 0.8054(15) 0.1296(13) 0.3158(5) 0.059(5) Uani 1 1 d . . . 
H22B H 0.8206 0.1237 0.3463 0.071 Uiso 1 1 calc R . . 
C225 C 0.8816(14) 0.1891(13) 0.2934(5) 0.052(5) Uani 1 1 d . . . 
H22C H 0.9503 0.2234 0.3084 0.062 Uiso 1 1 calc R . . 
C226 C 0.8522(14) 0.1948(11) 0.2499(5) 0.043(4) Uani 1 1 d . . . 
H22D H 0.9028 0.2340 0.2347 0.052 Uiso 1 1 calc R . . 
N311 N 0.8605(10) 0.2372(9) 0.1522(3) 0.033(3) Uani 1 1 d . . . 
C312 C 0.9693(12) 0.1842(10) 0.1555(4) 0.029(4) Uani 1 1 d . . . 
C313 C 1.0843(14) 0.2286(12) 0.1531(5) 0.045(4) Uani 1 1 d . . . 
H31A H 1.1589 0.1920 0.1551 0.054 Uiso 1 1 calc R . . 
C314 C 1.0884(14) 0.3266(13) 0.1475(5) 0.050(5) Uani 1 1 d . . . 
H31B H 1.1660 0.3583 0.1472 0.060 Uiso 1 1 calc R . . 
C315 C 0.9772(16) 0.3768(12) 0.1425(5) 0.053(5) Uani 1 1 d . . . 
H31C H 0.9767 0.4433 0.1371 0.063 Uiso 1 1 calc R . . 
C316 C 0.8672(12) 0.3292(10) 0.1455(4) 0.031(3) Uani 1 1 d . . . 
H31D H 0.7918 0.3650 0.1426 0.038 Uiso 1 1 calc R . . 
N321 N 0.8348(10) 0.0530(9) 0.1606(3) 0.032(3) Uani 1 1 d . . . 
C322 C 0.9562(13) 0.0832(10) 0.1615(4) 0.027(3) Uani 1 1 d . . . 
C323 C 1.0554(13) 0.0196(11) 0.1681(4) 0.035(4) Uani 1 1 d . . . 
H32A H 1.1385 0.0424 0.1686 0.042 Uiso 1 1 calc R . . 
C324 C 1.0355(15) -0.0770(12) 0.1739(5) 0.046(5) Uani 1 1 d . . . 
H32B H 1.1031 -0.1207 0.1786 0.056 Uiso 1 1 calc R . . 
C325 C 0.9116(15) -0.1066(11) 0.1724(5) 0.041(4) Uani 1 1 d . . . 
H32C H 0.8930 -0.1718 0.1763 0.049 Uiso 1 1 calc R . . 
C326 C 0.8153(14) -0.0400(10) 0.1654(5) 0.032(4) Uani 1 1 d . . . 
H32D H 0.7315 -0.0618 0.1640 0.038 Uiso 1 1 calc R . . 
P1 P 0.7107(4) 0.5344(3) 0.05400(15) 0.0441(11) Uani 1 1 d . . . 
F11 F 0.6660(13) 0.5464(9) 0.0052(4) 0.118(5) Uani 1 1 d . . . 
F12 F 0.7698(14) 0.5246(9) 0.1031(3) 0.113(5) Uani 1 1 d . . . 
F13 F 0.8509(9) 0.5354(6) 0.0427(4) 0.070(3) Uani 1 1 d . . . 
F14 F 0.7183(10) 0.6466(6) 0.0596(4) 0.090(4) Uani 1 1 d . . . 
F15 F 0.5787(12) 0.5338(9) 0.0649(6) 0.155(7) Uani 1 1 d . . . 
F16 F 0.7075(9) 0.4220(6) 0.0492(3) 0.066(3) Uani 1 1 d . . . 
P2 P 0.2167(4) 0.6753(3) 0.23096(14) 0.0469(11) Uani 1 1 d . . . 
F21 F 0.2337(13) 0.7802(8) 0.2495(4) 0.107(4) Uani 1 1 d . . . 
F22 F 0.3574(9) 0.6597(14) 0.2453(4) 0.147(7) Uani 1 1 d . . . 
F23 F 0.1876(13) 0.5773(8) 0.2112(4) 0.102(4) Uani 1 1 d . . . 
F24 F 0.2453(10) 0.7152(9) 0.1856(3) 0.092(4) Uani 1 1 d . . . 
F25 F 0.0726(9) 0.7008(9) 0.2177(3) 0.091(4) Uani 1 1 d . . . 
F26 F 0.1852(8) 0.6413(7) 0.2763(3) 0.063(3) Uani 1 1 d . . . 
C2 C 0.383(2) 0.6707(16) 0.0894(9) 0.116(10) Uani 1 1 d . . . 
H2A H 0.4213 0.6097 0.0989 0.174 Uiso 1 1 calc R . . 
H2B H 0.3582 0.6694 0.0581 0.174 Uiso 1 1 calc R . . 
H2C H 0.3093 0.6818 0.1037 0.174 Uiso 1 1 calc R . . 
C1 C 0.4728(19) 0.7465(16) 0.1004(7) 0.062(6) Uani 1 1 d . . . 
N1 N 0.5417(17) 0.8021(13) 0.1099(6) 0.076(5) Uani 1 1 d . . . 
N2 N 0.1733(17) 0.5121(15) 0.0912(7) 0.100(6) Uani 1 1 d . . . 
C3 C 0.111(2) 0.5720(14) 0.0987(7) 0.066(6) Uani 1 1 d . . . 
C4 C 0.0337(18) 0.6534(13) 0.1080(7) 0.082(6) Uani 1 1 d . . . 
H4A H -0.0141 0.6366 0.1313 0.123 Uiso 1 1 calc R . . 
H4B H -0.0241 0.6698 0.0821 0.123 Uiso 1 1 calc R . . 
H4C H 0.0876 0.7081 0.1168 0.123 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 
Pt1 0.0260(3) 0.0334(4) 0.0300(3) -0.0031(3) 0.0060(2) 0.0065(3) 
Cl1 0.041(2) 0.035(2) 0.062(3) 0.002(2) 0.012(2) 0.0159(18) 
Cl2 0.0234(19) 0.059(3) 0.038(2) -0.0037(19) 0.0077(17) 0.0053(18) 
Ru2 0.0215(6) 0.0324(7) 0.0248(6) 0.0051(6) 0.0065(5) 0.0030(5) 
N111 0.027(6) 0.031(6) 0.033(6) 0.006(5) 0.004(5) 0.000(5) 
C112 0.033(7) 0.015(6) 0.033(7) 0.009(6) 0.006(6) 0.000(5) 
C113 0.046(10) 0.038(10) 0.029(9) -0.001(8) 0.001(7) 0.017(8) 
C114 0.055(11) 0.045(11) 0.040(11) -0.011(9) 0.002(9) 0.016(8) 
C115 0.068(12) 0.046(11) 0.036(11) -0.015(9) 0.032(10) -0.009(9) 
C116 0.029(9) 0.057(11) 0.022(8) -0.011(8) 0.002(7) -0.001(8) 
N121 0.014(6) 0.023(7) 0.034(7) 0.006(6) 0.017(5) -0.003(5) 
C122 0.022(7) 0.017(8) 0.023(8) 0.001(6) 0.004(6) 0.001(6) 
C123 0.030(8) 0.039(10) 0.035(10) 0.009(8) 0.008(7) 0.011(7) 
C124 0.030(9) 0.051(10) 0.033(10) 0.019(8) 0.005(8) 0.014(8) 
C125 0.024(8) 0.035(9) 0.023(8) 0.000(7) 0.006(6) 0.000(7) 
C126 0.019(8) 0.024(8) 0.028(9) 0.008(7) -0.001(7) -0.002(6) 
N131 0.027(6) 0.016(7) 0.031(6) -0.003(5) 0.006(5) 0.001(6) 
C132 0.033(9) 0.032(9) 0.017(8) -0.003(7) 0.003(6) -0.005(7) 
C133 0.028(9) 0.018(8) 0.032(9) 0.003(7) 0.007(7) 0.008(6) 
C134 0.015(7) 0.036(9) 0.031(8) -0.002(7) 0.000(6) 0.000(7) 
C135 0.039(10) 0.030(9) 0.041(10) -0.002(8) 0.003(8) -0.003(8) 
C136 0.025(9) 0.024(9) 0.040(10) 0.001(7) 0.003(7) 0.007(7) 
N141 0.037(7) 0.039(8) 0.024(7) -0.001(6) 0.006(6) 0.002(6) 
C142 0.018(8) 0.034(9) 0.023(8) 0.002(7) 0.003(6) 0.003(7) 
C143 0.019(8) 0.029(9) 0.039(9) 0.003(7) 0.008(7) -0.008(7) 
C144 0.043(10) 0.044(10) 0.039(9) 0.019(8) 0.020(8) 0.016(8) 
C145 0.047(10) 0.029(9) 0.042(10) 0.009(8) 0.025(8) -0.002(7) 
C146 0.019(8) 0.039(10) 0.053(10) -0.007(8) 0.008(7) -0.012(7) 
N211 0.016(6) 0.031(7) 0.028(7) 0.005(6) 0.005(5) 0.000(5) 
C212 0.040(9) 0.034(9) 0.029(9) 0.008(7) 0.014(7) 0.010(7) 
C213 0.046(10) 0.041(11) 0.041(10) 0.014(8) 0.013(8) 0.003(8) 
C214 0.036(10) 0.031(9) 0.051(11) 0.003(8) 0.009(8) -0.003(7) 
C215 0.021(8) 0.045(10) 0.050(11) -0.016(8) 0.002(7) 0.001(7) 
C216 0.025(8) 0.027(8) 0.027(8) 0.000(6) 0.006(7) 0.000(6) 
N221 0.013(6) 0.037(7) 0.040(7) -0.003(6) 0.011(6) -0.004(6) 
C222 0.018(8) 0.032(9) 0.033(9) 0.010(7) -0.004(7) 0.009(7) 
C223 0.048(10) 0.049(11) 0.023(9) 0.002(8) 0.001(8) -0.009(8) 
C224 0.049(11) 0.096(15) 0.033(10) 0.013(10) 0.008(9) -0.012(10) 
C225 0.026(9) 0.085(14) 0.041(11) 0.000(10) -0.011(8) -0.012(9) 
C226 0.038(10) 0.052(11) 0.044(11) 0.026(9) 0.024(9) 0.005(8) 
N311 0.026(7) 0.051(9) 0.024(7) 0.000(6) 0.008(5) -0.008(6) 
C312 0.017(8) 0.047(10) 0.023(8) -0.006(7) 0.002(6) 0.000(7) 
C313 0.036(10) 0.061(13) 0.037(10) 0.001(9) 0.005(8) -0.007(8) 
C314 0.023(9) 0.070(14) 0.054(11) 0.010(10) -0.004(8) -0.011(9) 
C315 0.062(12) 0.043(11) 0.053(12) 0.000(9) 0.005(9) -0.014(9) 
C316 0.027(8) 0.029(9) 0.039(9) -0.001(7) 0.007(7) -0.008(7) 
N321 0.024(7) 0.049(9) 0.023(7) -0.005(6) 0.004(5) 0.005(6) 
C322 0.026(9) 0.041(10) 0.017(8) -0.003(7) 0.011(6) 0.005(7) 
C323 0.027(8) 0.046(11) 0.029(8) 0.000(7) -0.003(6) 0.014(7) 
C324 0.038(11) 0.060(12) 0.043(10) 0.008(9) 0.014(8) 0.039(9) 
C325 0.059(12) 0.037(10) 0.032(9) 0.006(8) 0.021(8) 0.004(9) 
C326 0.037(9) 0.024(9) 0.035(9) 0.001(7) 0.006(7) 0.000(7) 
P1 0.043(3) 0.034(3) 0.056(3) 0.004(2) 0.011(2) 0.0139(19) 
F11 0.150(12) 0.088(9) 0.097(10) 0.026(8) -0.048(9) -0.002(8) 
F12 0.176(13) 0.115(11) 0.049(7) 0.005(7) 0.017(8) 0.018(9) 
F13 0.061(6) 0.039(6) 0.114(9) -0.011(6) 0.030(6) -0.006(5) 
F14 0.076(7) 0.031(6) 0.158(11) -0.010(7) -0.005(7) 0.026(5) 
F15 0.082(9) 0.080(9) 0.33(2) -0.059(11) 0.114(12) 0.001(7) 
F16 0.065(7) 0.031(6) 0.109(9) -0.002(5) 0.037(6) 0.006(5) 
P2 0.039(3) 0.053(3) 0.048(3) 0.007(2) 0.005(2) -0.010(2) 
F21 0.152(12) 0.072(9) 0.104(10) 0.017(8) 0.039(9) -0.033(8) 
F22 0.029(6) 0.31(2) 0.097(10) 0.066(12) 0.005(6) 0.019(9) 
F23 0.161(12) 0.076(9) 0.077(8) -0.009(7) 0.046(8) -0.007(8) 
F24 0.086(8) 0.140(11) 0.049(7) 0.026(7) 0.003(6) -0.048(8) 
F25 0.063(7) 0.136(11) 0.071(8) 0.029(7) 0.003(6) 0.023(7) 
F26 0.054(6) 0.079(7) 0.055(6) 0.022(5) 0.007(5) -0.007(5) 
C2 0.086(18) 0.079(18) 0.20(3) 0.033(18) 0.068(19) 0.045(15) 
C1 0.047(13) 0.066(16) 0.078(15) 0.034(13) 0.021(12) 0.015(11) 
N1 0.069(13) 0.075(14) 0.090(14) 0.007(11) 0.038(11) 0.018(10) 
N2 0.079(13) 0.083(15) 0.138(18) 0.007(14) 0.016(12) -0.001(12) 
C3 0.067(15) 0.041(13) 0.089(16) 0.027(12) 0.003(12) -0.016(10) 
C4 0.085(15) 0.049(13) 0.111(18) 0.018(12) 0.007(13) 0.001(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 
Pt1 N131 2.015(10) . ? 
Pt1 N141 2.020(11) . ? 
Pt1 Cl1 2.286(4) . ? 
Pt1 Cl2 2.302(3) . ? 
Ru2 N311 2.055(11) . ? 
Ru2 N221 2.059(11) . ? 
Ru2 N321 2.069(11) . ? 
Ru2 N111 2.075(11) . ? 
Ru2 N211 2.081(10) . ? 
Ru2 N121 2.133(11) . ? 
N111 C112 1.352(16) . ? 
N111 C116 1.354(16) . ? 
C112 C113 1.405(18) . ? 
C112 C122 1.478(18) . ? 
C113 C114 1.353(19) . ? 
C114 C115 1.34(2) . ? 
C115 C116 1.41(2) . ? 
N121 C122 1.349(15) . ? 
N121 C126 1.355(16) . ? 
C122 C123 1.389(18) . ? 
C123 C124 1.373(19) . ? 
C124 C125 1.416(18) . ? 
C125 C126 1.379(17) . ? 
C126 C133 1.497(17) . ? 
N131 C136 1.326(16) . ? 
N131 C132 1.383(16) . ? 
C132 C133 1.405(18) . ? 
C132 C142 1.484(18) . ? 
C133 C134 1.391(18) . ? 
C134 C135 1.388(18) . ? 
C135 C136 1.361(18) . ? 
N141 C146 1.317(17) . ? 
N141 C142 1.363(15) . ? 
C142 C143 1.396(18) . ? 
C143 C144 1.363(18) . ? 
C144 C145 1.385(18) . ? 
C145 C146 1.376(19) . ? 
N211 C216 1.308(16) . ? 
N211 C212 1.359(16) . ? 
C212 C213 1.387(19) . ? 
C212 C222 1.457(19) . ? 
C213 C214 1.37(2) . ? 
C214 C215 1.38(2) . ? 
C215 C216 1.393(19) . ? 
N221 C226 1.330(18) . ? 
N221 C222 1.337(16) . ? 
C222 C223 1.380(19) . ? 
C223 C224 1.37(2) . ? 
C224 C225 1.42(2) . ? 
C225 C226 1.36(2) . ? 
N311 C316 1.314(17) . ? 
N311 C312 1.382(17) . ? 
C312 C313 1.401(19) . ? 
C312 C322 1.442(19) . ? 
C313 C314 1.39(2) . ? 
C314 C315 1.38(2) . ? 
C315 C316 1.377(19) . ? 
N321 C326 1.335(16) . ? 
N321 C322 1.374(17) . ? 
C322 C323 1.389(18) . ? 
C323 C324 1.39(2) . ? 
C324 C325 1.39(2) . ? 
C325 C326 1.39(2) . ? 
P1 F15 1.510(11) . ? 
P1 F11 1.547(13) . ? 
P1 F12 1.585(12) . ? 
P1 F16 1.587(9) . ? 
P1 F14 1.588(10) . ? 
P1 F13 1.601(10) . ? 
P2 F23 1.525(12) . ? 
P2 F22 1.538(11) . ? 
P2 F26 1.578(9) . ? 
P2 F21 1.586(13) . ? 
P2 F25 1.593(11) . ? 
P2 F24 1.596(10) . ? 
C2 C1 1.45(3) . ? 
C1 N1 1.09(2) . ? 
N2 C3 1.12(2) . ? 
C3 C4 1.47(3) . ? 

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 
N131 Pt1 N141 80.8(4) . . ? 
N131 Pt1 Cl1 95.7(3) . . ? 
N141 Pt1 Cl1 176.5(3) . . ? 
N131 Pt1 Cl2 176.4(3) . . ? 
N141 Pt1 Cl2 95.7(3) . . ? 
Cl1 Pt1 Cl2 87.77(14) . . ? 
N311 Ru2 N221 93.8(4) . . ? 
N311 Ru2 N321 78.9(5) . . ? 
N221 Ru2 N321 82.3(4) . . ? 
N311 Ru2 N111 97.1(5) . . ? 
N221 Ru2 N111 93.2(4) . . ? 
N321 Ru2 N111 173.8(5) . . ? 
N311 Ru2 N211 170.4(5) . . ? 
N221 Ru2 N211 78.8(4) . . ? 
N321 Ru2 N211 93.9(4) . . ? 
N111 Ru2 N211 89.4(4) . . ? 
N311 Ru2 N121 89.9(4) . . ? 
N221 Ru2 N121 170.9(4) . . ? 
N321 Ru2 N121 106.6(4) . . ? 
N111 Ru2 N121 78.0(4) . . ? 
N211 Ru2 N121 98.3(4) . . ? 
C112 N111 C116 118.9(12) . . ? 
C112 N111 Ru2 116.2(9) . . ? 
C116 N111 Ru2 124.8(10) . . ? 
N111 C112 C113 121.4(13) . . ? 
N111 C112 C122 115.6(11) . . ? 
C113 C112 C122 123.0(13) . . ? 
C114 C113 C112 118.8(14) . . ? 
C115 C114 C113 120.4(15) . . ? 
C114 C115 C116 120.3(14) . . ? 
N111 C116 C115 120.1(14) . . ? 
C122 N121 C126 115.9(11) . . ? 
C122 N121 Ru2 114.3(8) . . ? 
C126 N121 Ru2 129.7(8) . . ? 
N121 C122 C123 124.3(12) . . ? 
N121 C122 C112 115.7(11) . . ? 
C123 C122 C112 119.9(12) . . ? 
C124 C123 C122 119.3(13) . . ? 
C123 C124 C125 117.4(13) . . ? 
C126 C125 C124 119.4(12) . . ? 
N121 C126 C125 123.5(12) . . ? 
N121 C126 C133 120.2(11) . . ? 
C125 C126 C133 116.3(12) . . ? 
C136 N131 C132 119.9(11) . . ? 
C136 N131 Pt1 124.3(9) . . ? 
C132 N131 Pt1 115.7(8) . . ? 
N131 C132 C133 118.6(12) . . ? 
N131 C132 C142 112.6(11) . . ? 
C133 C132 C142 128.7(12) . . ? 
C134 C133 C132 119.3(12) . . ? 
C134 C133 C126 116.8(11) . . ? 
C132 C133 C126 123.5(12) . . ? 
C135 C134 C133 120.5(12) . . ? 
C136 C135 C134 117.3(13) . . ? 
N131 C136 C135 124.3(13) . . ? 
C146 N141 C142 121.3(12) . . ? 
C146 N141 Pt1 124.2(10) . . ? 
C142 N141 Pt1 114.5(9) . . ? 
N141 C142 C143 117.9(12) . . ? 
N141 C142 C132 116.0(12) . . ? 
C143 C142 C132 126.1(11) . . ? 
C144 C143 C142 120.5(12) . . ? 
C143 C144 C145 120.1(14) . . ? 
C146 C145 C144 117.4(13) . . ? 
N141 C146 C145 122.6(13) . . ? 
C216 N211 C212 120.1(12) . . ? 
C216 N211 Ru2 125.7(9) . . ? 
C212 N211 Ru2 113.8(9) . . ? 
N211 C212 C213 118.7(14) . . ? 
N211 C212 C222 115.6(12) . . ? 
C213 C212 C222 125.7(13) . . ? 
C214 C213 C212 122.2(14) . . ? 
C213 C214 C215 117.1(14) . . ? 
C214 C215 C216 118.9(14) . . ? 
N211 C216 C215 122.9(13) . . ? 
C226 N221 C222 119.0(12) . . ? 
C226 N221 Ru2 125.4(9) . . ? 
C222 N221 Ru2 115.5(9) . . ? 
N221 C222 C223 120.9(13) . . ? 
N221 C222 C212 115.8(12) . . ? 
C223 C222 C212 123.4(13) . . ? 
C224 C223 C222 120.5(14) . . ? 
C223 C224 C225 118.1(15) . . ? 
C226 C225 C224 117.2(15) . . ? 
N221 C226 C225 124.3(14) . . ? 
C316 N311 C312 118.5(12) . . ? 
C316 N311 Ru2 127.1(10) . . ? 
C312 N311 Ru2 114.3(10) . . ? 
N311 C312 C313 120.4(14) . . ? 
N311 C312 C322 116.3(12) . . ? 
C313 C312 C322 123.3(13) . . ? 
C314 C313 C312 119.5(15) . . ? 
C315 C314 C313 118.6(15) . . ? 
C316 C315 C314 119.1(16) . . ? 
N311 C316 C315 123.8(14) . . ? 
C326 N321 C322 117.7(12) . . ? 
C326 N321 Ru2 126.5(10) . . ? 
C322 N321 Ru2 115.0(10) . . ? 
N321 C322 C323 121.2(13) . . ? 
N321 C322 C312 114.3(12) . . ? 
C323 C322 C312 124.5(13) . . ? 
C322 C323 C324 121.2(14) . . ? 
C323 C324 C325 116.9(13) . . ? 
C326 C325 C324 119.7(15) . . ? 
N321 C326 C325 123.3(14) . . ? 
F15 P1 F11 92.8(9) . . ? 
F15 P1 F12 92.6(9) . . ? 
F11 P1 F12 174.4(8) . . ? 
F15 P1 F16 90.4(6) . . ? 
F11 P1 F16 90.9(7) . . ? 
F12 P1 F16 90.4(7) . . ? 
F15 P1 F14 91.0(6) . . ? 
F11 P1 F14 90.2(7) . . ? 
F12 P1 F14 88.4(7) . . ? 
F16 P1 F14 178.2(7) . . ? 
F15 P1 F13 179.7(9) . . ? 
F11 P1 F13 87.5(7) . . ? 
F12 P1 F13 87.1(7) . . ? 
F16 P1 F13 89.8(5) . . ? 
F14 P1 F13 88.8(5) . . ? 
F23 P2 F22 97.4(9) . . ? 
F23 P2 F26 91.9(6) . . ? 
F22 P2 F26 91.3(6) . . ? 
F23 P2 F21 174.5(8) . . ? 
F22 P2 F21 88.1(9) . . ? 
F26 P2 F21 88.9(6) . . ? 
F23 P2 F25 87.7(7) . . ? 
F22 P2 F25 174.9(9) . . ? 
F26 P2 F25 88.7(5) . . ? 
F21 P2 F25 86.8(7) . . ? 
F23 P2 F24 90.6(7) . . ? 
F22 P2 F24 90.2(6) . . ? 
F26 P2 F24 176.9(7) . . ? 
F21 P2 F24 88.4(6) . . ? 
F25 P2 F24 89.6(6) . . ? 
N1 C1 C2 178(3) . . ? 
N2 C3 C4 178(2) . . ? 

_diffrn_measured_fraction_theta_max    1.000 
_diffrn_reflns_theta_full              22.50 
_diffrn_measured_fraction_theta_full   1.000 
_refine_diff_density_max    2.064 
_refine_diff_density_min   -1.356 
_refine_diff_density_rms    0.157 
#=END