Supplementary Material (ESI) for Chemical Communications
This journal is © The Royal Society of Chemistry 2001

data_global 
_journal_coden_Cambridge      182
_publ_contact_author
;
Stephen J. Loeb
School of Physical Sciences
Chemistry and Biochemistry
University of Windsor
Windsor, Ontario, Canada
N9B 3P4

;
_publ_contact_author_phone	'+ 519 2533000 ext 3529'
_publ_contact_author_fax	'+ 519 9737098 '
_publ_contact_author_email	'loeb@uwindsor.ca'
_publ_requested_journal		'Chem Commun'
_publ_requested_coeditor_name	?
_publ_contact_letter
;
These structures are part of a study investigating the suitablity of
Pt(II)nicotinamide complexes as anion receptors 
;
_publ_section_title
;
Platinum(II) nicotinamide complexes as receptors for oxo-anions 
;

loop_
_publ_author_name
_publ_author_address
'Loeb, Stephen J.'
;
School of Physical Sciences
Chemistry and Biochemistry
University of Windsor
Ontario N9B 3P4
Canada
;
'Bondy, Chantelle R.'
;
School of Physical Sciences
Chemistry and Biochemistry
University of Windsor
Ontario N9B 3P4
Canada
;
'Gale, Philip R.'
;
Department of Chemistry
University of Southampton
Southampton, SO17 1BJ
United Kingdom
;

data_[PtL4][PF6]2.2CH2Cl2 

_database_code_CSD	158329


_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
'C42 H60 Cl4 F12 N8 O4 P2 Pt' 
_chemical_formula_weight          1367.81 

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' 
'O'  'O'   0.0106   0.0060 
'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' 
'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    Cc #(9) 

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

_cell_length_a                    16.2726(4) 
_cell_length_b                    8.9587(2) 
_cell_length_c                    39.2903(5) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  96.253(1) 
_cell_angle_gamma                 90.00 
_cell_volume                      5693.7(2) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     'reflections from 60 data frames' 
_cell_measurement_theta_min       1.5   
_cell_measurement_theta_max       28.3  

_exptl_crystal_description        block 
_exptl_crystal_colour             colourless 
_exptl_crystal_size_max           0.22 
_exptl_crystal_size_mid           0.24 
_exptl_crystal_size_min           0.30 
_exptl_crystal_density_meas       'not measured'  
_exptl_crystal_density_diffrn     1.596 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              2736 
_exptl_absorpt_coefficient_mu     2.793 
_exptl_absorpt_correction_type    empirical 
_exptl_absorpt_correction_T_min   0.2053  
_exptl_absorpt_correction_T_max   0.4921  
_exptl_absorpt_process_details    ? 

_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   'Siemens SMART CCD'  
_diffrn_measurement_method        'hemisphere scans'  
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          '50 standard frames at start and end'  
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         <1  
_diffrn_reflns_number             11369 
_diffrn_reflns_av_R_equivalents   0.0719 
_diffrn_reflns_av_sigmaI/netI     0.0960 
_diffrn_reflns_limit_h_min        -17 
_diffrn_reflns_limit_h_max        17 
_diffrn_reflns_limit_k_min        -9 
_diffrn_reflns_limit_k_max        9 
_diffrn_reflns_limit_l_min        -42 
_diffrn_reflns_limit_l_max        33 
_diffrn_reflns_theta_min          2.09 
_diffrn_reflns_theta_max          22.50 
_reflns_number_total              5449 
_reflns_number_gt                 3786 
_reflns_threshold_expression      >2sigma(I) 

_computing_data_collection        'Siemens SMART'  
_computing_cell_refinement        'Siemens SAINT'  
_computing_data_reduction         'Siemens SHELXTL XPREP'  
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     'Siemens SHELXTL XP'  
_computing_publication_material   'Siemens SHELXTL 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^)+(0.0901P)^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_abs_structure_details 
'Flack H D (1983), Acta Cryst. A39, 876-881' 
_refine_ls_abs_structure_Flack    0.30(2) 
_refine_ls_number_reflns          5449 
_refine_ls_number_parameters      397 
_refine_ls_number_restraints      39 
_refine_ls_R_factor_all           0.1062 
_refine_ls_R_factor_gt            0.0698 
_refine_ls_wR_factor_ref          0.1714 
_refine_ls_wR_factor_gt           0.1518 
_refine_ls_goodness_of_fit_ref    1.028 
_refine_ls_restrained_S_all       1.027 
_refine_ls_shift/su_max           0.782 
_refine_ls_shift/su_mean          0.071 

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 1.9608(2) 0.75459(11) 0.57081(11) 0.0571(3) Uani 1 1 d . . . 
O1 O 1.9976(9) 1.0456(18) 0.4544(5) 0.066(5) Uani 1 1 d . . . 
O2 O 2.1164(9) 1.0198(15) 0.6852(4) 0.042(4) Uiso 1 1 d . . . 
O3 O 1.9225(15) 0.4586(19) 0.6899(5) 0.086(7) Uani 1 1 d . . . 
O4 O 1.8108(13) 0.503(2) 0.4567(7) 0.102(8) Uani 1 1 d . . . 
N2 N 2.1216(19) 1.033(3) 0.4397(7) 0.113(10) Uani 1 1 d . . . 
H2B H 2.1699 0.9947 0.4448 0.135 Uiso 1 1 calc R . . 
N4 N 2.050(2) 1.226(3) 0.6994(10) 0.094(12) Uani 1 1 d . . . 
H4A H 2.0183 1.2987 0.6922 0.112 Uiso 1 1 calc R . . 
N6 N 1.7898(10) 0.479(3) 0.7016(5) 0.060(6) Uani 1 1 d . . . 
H6A H 1.7391 0.4916 0.6933 0.072 Uiso 1 1 calc R . . 
N8 N 1.8771(15) 0.290(2) 0.4432(7) 0.053(6) Uani 1 1 d . . . 
H8A H 1.9238 0.2456 0.4477 0.064 Uiso 1 1 calc R . . 
N1 N 2.0547(10) 0.8282(16) 0.5477(4) 0.097(8) Uani 1 1 d G . . 
C1 C 2.1376(12) 0.815(2) 0.5603(4) 0.098(10) Uiso 1 1 d G . . 
H1A H 2.1522 0.7730 0.5817 0.117 Uiso 1 1 calc R . . 
C2 C 2.1985(8) 0.866(3) 0.5410(6) 0.139(15) Uiso 1 1 d G . . 
H2A H 2.2540 0.8577 0.5495 0.167 Uiso 1 1 calc R . . 
C3 C 2.1767(9) 0.930(2) 0.5090(5) 0.084(10) Uiso 1 1 d G . . 
H3A H 2.2175 0.9638 0.4961 0.101 Uiso 1 1 calc R . . 
C4 C 2.0938(10) 0.9426(17) 0.4964(4) 0.052(6) Uiso 1 1 d G . . 
C5 C 2.0328(7) 0.8918(14) 0.5157(4) 0.027(4) Uiso 1 1 d G . . 
H5A H 1.9774 0.9003 0.5072 0.033 Uiso 1 1 calc R . . 
C6 C 2.0686(18) 1.018(3) 0.4626(7) 0.061(7) Uiso 1 1 d . . . 
C7 C 2.107(2) 1.104(4) 0.4082(10) 0.127(13) Uiso 1 1 d . . . 
H7A H 2.0638 1.1768 0.4102 0.152 Uiso 1 1 calc R . . 
H7B H 2.0845 1.0299 0.3919 0.152 Uiso 1 1 calc R . . 
C8 C 2.171(3) 1.181(6) 0.3924(14) 0.22(2) Uiso 1 1 d . . . 
H8B H 2.2145 1.1080 0.3908 0.262 Uiso 1 1 calc R . . 
H8C H 2.1932 1.2550 0.4088 0.262 Uiso 1 1 calc R . . 
C9 C 2.160(3) 1.264(6) 0.3561(14) 0.66(16) Uiso 1 1 d R . . 
H9A H 2.2099 1.2552 0.3451 0.787 Uiso 1 1 d R . . 
H9B H 2.1150 1.2179 0.3414 0.787 Uiso 1 1 d R . . 
C10 C 2.138(6) 1.392(12) 0.364(3) 0.42(7) Uiso 1 1 d . . . 
H10A H 2.1265 1.4505 0.3435 0.626 Uiso 1 1 calc R . . 
H10B H 2.1808 1.4376 0.3789 0.626 Uiso 1 1 calc R . . 
H10C H 2.0884 1.3847 0.3753 0.626 Uiso 1 1 calc R . . 
N3 N 1.9575(10) 0.9445(13) 0.5955(4) 0.081(8) Uani 1 1 d G . . 
C11 C 1.8967(9) 1.0494(16) 0.5854(3) 0.063(7) Uiso 1 1 d G . . 
H11A H 1.8621 1.0357 0.5652 0.076 Uiso 1 1 calc R . . 
C12 C 1.8878(8) 1.1749(14) 0.6055(4) 0.056(5) Uiso 1 1 d G . . 
H12A H 1.8471 1.2451 0.5987 0.067 Uiso 1 1 calc R . . 
C13 C 1.9395(10) 1.1954(13) 0.6357(4) 0.063(6) Uiso 1 1 d G . . 
H13A H 1.9335 1.2794 0.6491 0.076 Uiso 1 1 calc R . . 
C14 C 2.0002(9) 1.0905(16) 0.6458(4) 0.062(7) Uiso 1 1 d G . . 
C15 C 2.0092(8) 0.9651(14) 0.6257(4) 0.046(6) Uiso 1 1 d G . . 
H15A H 2.0498 0.8949 0.6325 0.055 Uiso 1 1 calc R . . 
C16 C 2.0531(13) 1.109(2) 0.6769(6) 0.044(6) Uiso 1 1 d . . . 
C17 C 2.092(2) 1.246(3) 0.7336(11) 0.107(13) Uiso 1 1 d . . . 
H17A H 2.1501 1.2196 0.7328 0.128 Uiso 1 1 calc R . . 
H17B H 2.0908 1.3513 0.7391 0.128 Uiso 1 1 calc R . . 
C18 C 2.065(2) 1.169(5) 0.7596(11) 0.139(12) Uiso 1 1 d . . . 
H18A H 2.0465 1.0738 0.7497 0.166 Uiso 1 1 calc R . . 
H18B H 2.0146 1.2207 0.7642 0.166 Uiso 1 1 calc R . . 
C19 C 2.104(10) 1.13(2) 0.791(4) 0.70(14) Uiso 1 1 d . . . 
H19A H 2.1390 1.0505 0.7869 0.839 Uiso 1 1 calc R . . 
H19B H 2.1414 1.2180 0.7965 0.839 Uiso 1 1 calc R . . 
C20 C 2.078(5) 1.107(9) 0.817(2) 0.31(4) Uiso 1 1 d . . . 
H20A H 2.1185 1.1284 0.8357 0.458 Uiso 1 1 calc R . . 
H20B H 2.0633 1.0028 0.8173 0.458 Uiso 1 1 calc R . . 
H20C H 2.0291 1.1660 0.8189 0.458 Uiso 1 1 calc R . . 
N5 N 1.8722(6) 0.6749(12) 0.5997(3) 0.029(4) Uiso 1 1 d G . . 
C21 C 1.7914(7) 0.6904(14) 0.5846(3) 0.037(5) Uiso 1 1 d G . . 
H21A H 1.7809 0.7364 0.5633 0.045 Uiso 1 1 calc R . . 
C22 C 1.7262(5) 0.6371(17) 0.6012(4) 0.048(6) Uiso 1 1 d G . . 
H22A H 1.6721 0.6474 0.5911 0.057 Uiso 1 1 calc R . . 
C23 C 1.7419(7) 0.5683(17) 0.6330(4) 0.059(7) Uiso 1 1 d G . . 
H23A H 1.6983 0.5326 0.6441 0.071 Uiso 1 1 calc R . . 
C24 C 1.8227(8) 0.5528(16) 0.6481(3) 0.038(5) Uiso 1 1 d G . . 
C25 C 1.8879(6) 0.6061(15) 0.6314(3) 0.076(8) Uiso 1 1 d G . . 
H25A H 1.9420 0.5957 0.6415 0.091 Uiso 1 1 calc R . . 
C26 C 1.8473(18) 0.500(3) 0.6814(7) 0.054(7) Uiso 1 1 d . . . 
C27 C 1.8070(18) 0.435(3) 0.7388(8) 0.090(9) Uiso 1 1 d . . . 
H27A H 1.8618 0.4665 0.7482 0.108 Uiso 1 1 calc R . . 
H27B H 1.7665 0.4775 0.7523 0.108 Uiso 1 1 calc R . . 
C28 C 1.8008(16) 0.266(3) 0.7381(7) 0.090(7) Uiso 1 1 d . . . 
H28A H 1.8476 0.2219 0.7284 0.107 Uiso 1 1 calc R . . 
H28B H 1.7502 0.2335 0.7248 0.107 Uiso 1 1 calc R . . 
C29 C 1.801(2) 0.219(3) 0.7781(8) 0.110(9) Uiso 1 1 d . . . 
H29A H 1.8518 0.2483 0.7916 0.131 Uiso 1 1 calc R . . 
H29B H 1.7540 0.2611 0.7881 0.131 Uiso 1 1 calc R . . 
C30 C 1.794(3) 0.043(6) 0.7737(13) 0.19(2) Uiso 1 1 d . . . 
H30A H 1.7924 -0.0030 0.7958 0.289 Uiso 1 1 calc R . . 
H30B H 1.8403 0.0057 0.7633 0.289 Uiso 1 1 calc R . . 
H30C H 1.7437 0.0185 0.7594 0.289 Uiso 1 1 calc R . . 
N7 N 1.9644(8) 0.5627(12) 0.5420(3) 0.040(5) Uani 1 1 d G . . 
C31 C 2.0103(9) 0.4449(16) 0.5572(3) 0.081(8) Uiso 1 1 d G . . 
H31A H 2.0416 0.4584 0.5783 0.098 Uiso 1 1 calc R . . 
C32 C 2.0094(10) 0.3069(14) 0.5410(4) 0.093(8) Uiso 1 1 d G . . 
H32A H 2.0401 0.2281 0.5512 0.112 Uiso 1 1 calc R . . 
C33 C 1.9626(10) 0.2868(12) 0.5096(4) 0.066(6) Uiso 1 1 d G . . 
H33A H 1.9620 0.1945 0.4987 0.079 Uiso 1 1 calc R . . 
C34 C 1.9167(9) 0.4046(15) 0.4944(3) 0.046(6) Uiso 1 1 d G . . 
C35 C 1.9176(8) 0.5426(13) 0.5106(3) 0.066(7) Uiso 1 1 d G . . 
H35A H 1.8869 0.6214 0.5004 0.080 Uiso 1 1 calc R . . 
C36 C 1.8547(16) 0.398(3) 0.4605(7) 0.058(7) Uiso 1 1 d . . . 
C37 C 1.813(2) 0.245(3) 0.4129(9) 0.092(11) Uiso 1 1 d . . . 
H37A H 1.7658 0.3131 0.4106 0.110 Uiso 1 1 calc R . . 
H37B H 1.7931 0.1441 0.4154 0.110 Uiso 1 1 calc R . . 
C38 C 1.870(3) 0.261(5) 0.3787(16) 0.20(2) Uiso 1 1 d . . . 
H38A H 1.9002 0.3545 0.3798 0.240 Uiso 1 1 calc R . . 
H38B H 1.9091 0.1794 0.3787 0.240 Uiso 1 1 calc R . . 
C39 C 1.811(3) 0.256(5) 0.3481(12) 0.173(17) Uiso 1 1 d D . . 
H39A H 1.7678 0.3301 0.3480 0.207 Uiso 1 1 calc R . . 
H39B H 1.7877 0.1575 0.3434 0.207 Uiso 1 1 calc R . . 
C40 C 1.881(4) 0.299(8) 0.3232(16) 0.29(4) Uiso 1 1 d D . . 
H40A H 1.8559 0.3117 0.3002 0.441 Uiso 1 1 calc R . . 
H40B H 1.9218 0.2213 0.3239 0.441 Uiso 1 1 calc R . . 
H40C H 1.9077 0.3910 0.3310 0.441 Uiso 1 1 calc R . . 
P2 P 2.1768(4) 0.5469(8) 0.6455(3) 0.091(3) Uani 1 1 d D . . 
F10 F 2.240(2) 0.674(4) 0.6510(10) 0.25(2) Uani 1 1 d D . . 
F9 F 2.136(3) 0.394(3) 0.6460(9) 0.35(3) Uani 1 1 d D . . 
F11 F 2.1614(13) 0.549(4) 0.6837(5) 0.172(12) Uani 1 1 d D . . 
F8 F 2.1034(13) 0.640(2) 0.6308(5) 0.160(11) Uani 1 1 d D . . 
F12 F 2.1963(15) 0.530(3) 0.6084(5) 0.156(10) Uani 1 1 d D . . 
F7 F 2.2654(9) 0.482(3) 0.6543(6) 0.132(8) Uani 1 1 d D . . 
P1 P 1.7395(5) 0.9637(8) 0.49498(17) 0.076(3) Uani 1 1 d D . . 
F4 F 1.7231(11) 0.982(2) 0.5327(4) 0.101(6) Uani 1 1 d D . . 
F1 F 1.8280(8) 0.901(3) 0.5061(6) 0.164(11) Uani 1 1 d D . . 
F3 F 1.7679(17) 0.939(2) 0.4587(4) 0.155(10) Uani 1 1 d D . . 
F6 F 1.7062(17) 0.802(2) 0.4944(11) 0.186(13) Uani 1 1 d D . . 
F2 F 1.673(2) 1.079(3) 0.4825(10) 0.250(18) Uani 1 1 d D . . 
F5 F 1.7907(10) 1.1086(19) 0.5036(6) 0.146(9) Uani 1 1 d D . . 
Cl1 Cl 1.8836(17) 0.788(3) 0.3762(6) 0.271(13) Uani 1 1 d D . . 
Cl2 Cl 1.9953(5) 0.6643(10) 0.4326(3) 0.120(4) Uani 1 1 d D . . 
Cl3 Cl 1.9252(11) 0.8360(16) 0.7101(5) 0.228(8) Uani 1 1 d D . . 
Cl4 Cl 2.031(2) 0.714(3) 0.7651(6) 0.301(16) Uani 1 1 d D . . 
C50 C 1.911(3) 0.780(7) 0.4203(7) 0.36(6) Uani 1 1 d D . . 
H50A H 1.8639 0.7442 0.4311 0.432 Uiso 1 1 calc R . . 
H50B H 1.9238 0.8796 0.4287 0.432 Uiso 1 1 calc R . . 
C60 C 2.0206(13) 0.754(3) 0.7213(6) 0.085(11) Uani 1 1 d D . . 
H60A H 2.0643 0.8206 0.7161 0.102 Uiso 1 1 calc R . . 
H60B H 2.0249 0.6622 0.7084 0.102 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 0.0672(4) 0.0420(3) 0.0624(5) 0.0011(4) 0.0088(3) -0.0094(4) 
O1 0.020(8) 0.064(10) 0.110(17) 0.009(9) -0.006(8) 0.019(7) 
O3 0.15(2) 0.053(11) 0.054(14) 0.005(8) 0.015(12) -0.017(12) 
O4 0.079(13) 0.069(12) 0.15(2) -0.027(11) -0.012(11) 0.018(10) 
N2 0.15(3) 0.105(19) 0.08(2) 0.039(16) -0.002(18) 0.035(18) 
N4 0.12(2) 0.073(17) 0.08(3) -0.023(15) -0.031(18) 0.004(15) 
N6 0.009(8) 0.116(16) 0.053(16) 0.018(11) -0.002(8) -0.006(9) 
N8 0.063(15) 0.044(10) 0.049(17) -0.005(11) -0.013(12) 0.003(10) 
N1 0.15(2) 0.076(14) 0.071(17) -0.025(12) 0.021(14) 0.000(13) 
N3 0.090(18) 0.054(13) 0.11(2) 0.028(12) 0.063(15) -0.001(12) 
N7 0.042(11) 0.038(9) 0.035(12) -0.018(8) -0.018(9) -0.006(8) 
P2 0.064(5) 0.066(5) 0.148(10) -0.017(5) 0.040(6) -0.007(4) 
F10 0.23(3) 0.25(3) 0.28(4) -0.17(4) 0.10(3) -0.17(3) 
F9 0.73(8) 0.122(19) 0.27(4) -0.07(2) 0.34(5) -0.19(3) 
F11 0.096(14) 0.29(3) 0.13(2) 0.04(2) 0.020(14) -0.014(16) 
F8 0.26(3) 0.136(16) 0.093(14) 0.043(11) 0.046(14) 0.146(18) 
F12 0.15(2) 0.16(2) 0.14(2) -0.029(17) -0.026(17) 0.046(16) 
F7 0.055(9) 0.19(2) 0.143(17) 0.044(15) -0.022(9) 0.043(11) 
P1 0.108(7) 0.079(5) 0.032(5) 0.014(3) -0.034(4) 0.020(5) 
F4 0.109(14) 0.104(13) 0.099(15) 0.002(10) 0.056(11) -0.001(10) 
F1 0.035(9) 0.28(3) 0.16(2) 0.012(17) -0.049(10) 0.014(12) 
F3 0.30(3) 0.107(15) 0.063(15) -0.005(11) 0.025(16) 0.039(17) 
F6 0.15(2) 0.095(14) 0.31(4) -0.03(2) 0.01(2) -0.024(14) 
F2 0.30(4) 0.14(2) 0.28(4) 0.06(2) -0.07(3) 0.05(2) 
F5 0.092(12) 0.120(16) 0.23(3) -0.037(14) 0.030(13) -0.044(11) 
Cl1 0.31(3) 0.36(3) 0.137(19) 0.098(17) -0.005(16) 0.07(2) 
Cl2 0.081(5) 0.085(6) 0.202(11) 0.009(6) 0.056(6) 0.000(4) 
Cl3 0.30(2) 0.141(12) 0.225(18) -0.052(11) -0.053(14) -0.035(13) 
Cl4 0.45(4) 0.27(3) 0.18(3) -0.044(17) 0.01(2) -0.05(2) 
C50 0.40(10) 0.46(12) 0.26(9) 0.17(7) 0.25(8) 0.28(9) 
C60 0.087(18) 0.065(13) 0.09(3) 0.050(15) -0.041(17) -0.034(14) 

_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 N3 1.963(11) . ? 
Pt1 N1 1.974(14) . ? 
Pt1 N5 2.057(9) . ? 
Pt1 N7 2.062(10) . ? 
O1 C6 1.19(3) . ? 
O2 C16 1.32(2) . ? 
O3 C26 1.29(3) . ? 
O4 C36 1.18(3) . ? 
N2 C6 1.32(4) . ? 
N2 C7 1.39(4) . ? 
N4 C16 1.38(4) . ? 
N4 C17 1.45(5) . ? 
N6 C26 1.30(3) . ? 
N6 C27 1.51(3) . ? 
N8 C36 1.26(4) . ? 
N8 C37 1.55(4) . ? 
N1 C1 1.3900 . ? 
N1 C5 1.3900 . ? 
C1 C2 1.3900 . ? 
C2 C3 1.3900 . ? 
C3 C4 1.3900 . ? 
C4 C5 1.3900 . ? 
C4 C6 1.51(3) . ? 
C7 C8 1.44(5) . ? 
C8 C9 1.5998 . ? 
C9 C10 1.25(12) . ? 
N3 C11 1.3900 . ? 
N3 C15 1.3900 . ? 
C11 C12 1.3900 . ? 
C12 C13 1.3900 . ? 
C13 C14 1.3900 . ? 
C14 C15 1.3900 . ? 
C14 C16 1.43(2) . ? 
C17 C18 1.35(5) . ? 
C18 C19 1.36(17) . ? 
C19 C20 1.18(16) . ? 
N5 C21 1.3900 . ? 
N5 C25 1.3900 . ? 
C21 C22 1.3900 . ? 
C22 C23 1.3900 . ? 
C23 C24 1.3900 . ? 
C24 C25 1.3900 . ? 
C24 C26 1.41(3) . ? 
C27 C28 1.52(4) . ? 
C28 C29 1.63(4) . ? 
C29 C30 1.60(5) . ? 
N7 C31 1.3900 . ? 
N7 C35 1.3900 . ? 
C31 C32 1.3900 . ? 
C32 C33 1.3900 . ? 
C33 C34 1.3900 . ? 
C34 C35 1.3900 . ? 
C34 C36 1.58(3) . ? 
C37 C38 1.72(6) . ? 
C38 C39 1.45(7) . ? 
C39 C40 1.63(2) . ? 
P2 F8 1.520(13) . ? 
P2 F9 1.523(15) . ? 
P2 F10 1.532(14) . ? 
P2 F12 1.532(15) . ? 
P2 F11 1.548(15) . ? 
P2 F7 1.560(12) . ? 
P1 F2 1.540(15) . ? 
P1 F4 1.543(12) . ? 
P1 F6 1.545(15) . ? 
P1 F3 1.560(14) . ? 
P1 F5 1.561(13) . ? 
P1 F1 1.562(13) . ? 
Cl1 C50 1.743(19) . ? 
Cl2 C50 1.743(18) . ? 
Cl3 C60 1.731(17) . ? 
Cl4 C60 1.744(18) . ? 

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 Pt1 N1 90.1(6) . . ? 
N3 Pt1 N5 88.2(6) . . ? 
N1 Pt1 N5 173.6(7) . . ? 
N3 Pt1 N7 176.4(8) . . ? 
N1 Pt1 N7 87.5(6) . . ? 
N5 Pt1 N7 94.4(6) . . ? 
C6 N2 C7 126(3) . . ? 
C16 N4 C17 130(3) . . ? 
C26 N6 C27 124(2) . . ? 
C36 N8 C37 114(2) . . ? 
C1 N1 C5 120.0 . . ? 
C1 N1 Pt1 125.2(10) . . ? 
C5 N1 Pt1 114.7(10) . . ? 
N1 C1 C2 120.0 . . ? 
C1 C2 C3 120.0 . . ? 
C2 C3 C4 120.0 . . ? 
C5 C4 C3 120.0 . . ? 
C5 C4 C6 119.1(16) . . ? 
C3 C4 C6 120.8(16) . . ? 
C4 C5 N1 120.0 . . ? 
O1 C6 N2 119(3) . . ? 
O1 C6 C4 120(2) . . ? 
N2 C6 C4 121(3) . . ? 
N2 C7 C8 123(4) . . ? 
C7 C8 C9 126(3) . . ? 
C10 C9 C8 103(6) . . ? 
C11 N3 C15 120.0 . . ? 
C11 N3 Pt1 120.1(9) . . ? 
C15 N3 Pt1 119.3(9) . . ? 
N3 C11 C12 120.0 . . ? 
C13 C12 C11 120.0 . . ? 
C12 C13 C14 120.0 . . ? 
C15 C14 C13 120.0 . . ? 
C15 C14 C16 119.4(13) . . ? 
C13 C14 C16 120.6(13) . . ? 
C14 C15 N3 120.0 . . ? 
O2 C16 N4 113(2) . . ? 
O2 C16 C14 121.5(18) . . ? 
N4 C16 C14 126(2) . . ? 
C18 C17 N4 118(4) . . ? 
C17 C18 C19 129(8) . . ? 
C20 C19 C18 131(10) . . ? 
C21 N5 C25 120.0 . . ? 
C21 N5 Pt1 114.7(6) . . ? 
C25 N5 Pt1 125.3(6) . . ? 
C22 C21 N5 120.0 . . ? 
C21 C22 C23 120.0 . . ? 
C24 C23 C22 120.0 . . ? 
C23 C24 C25 120.0 . . ? 
C23 C24 C26 126.1(14) . . ? 
C25 C24 C26 113.6(14) . . ? 
C24 C25 N5 120.0 . . ? 
O3 C26 N6 122(2) . . ? 
O3 C26 C24 120(2) . . ? 
N6 C26 C24 118(2) . . ? 
C28 C27 N6 104(2) . . ? 
C27 C28 C29 104(2) . . ? 
C30 C29 C28 99(3) . . ? 
C31 N7 C35 120.0 . . ? 
C31 N7 Pt1 116.3(7) . . ? 
C35 N7 Pt1 123.4(7) . . ? 
C32 C31 N7 120.0 . . ? 
C31 C32 C33 120.0 . . ? 
C34 C33 C32 120.0 . . ? 
C33 C34 C35 120.0 . . ? 
C33 C34 C36 126.7(12) . . ? 
C35 C34 C36 113.1(13) . . ? 
C34 C35 N7 120.0 . . ? 
O4 C36 N8 139(3) . . ? 
O4 C36 C34 113(2) . . ? 
N8 C36 C34 107(2) . . ? 
N8 C37 C38 101(3) . . ? 
C39 C38 C37 106(4) . . ? 
C38 C39 C40 93(4) . . ? 
F8 P2 F9 100(2) . . ? 
F8 P2 F10 97(2) . . ? 
F9 P2 F10 162(3) . . ? 
F8 P2 F12 86.0(13) . . ? 
F9 P2 F12 93.3(16) . . ? 
F10 P2 F12 90.2(17) . . ? 
F8 P2 F11 99.1(13) . . ? 
F9 P2 F11 83.2(16) . . ? 
F10 P2 F11 91.8(18) . . ? 
F12 P2 F11 174.3(15) . . ? 
F8 P2 F7 163.9(14) . . ? 
F9 P2 F7 93(2) . . ? 
F10 P2 F7 70.2(19) . . ? 
F12 P2 F7 83.8(13) . . ? 
F11 P2 F7 91.8(14) . . ? 
F2 P1 F4 92.6(18) . . ? 
F2 P1 F6 112.9(19) . . ? 
F4 P1 F6 91.0(18) . . ? 
F2 P1 F3 94.3(19) . . ? 
F4 P1 F3 172.3(14) . . ? 
F6 P1 F3 89.5(19) . . ? 
F2 P1 F5 81.6(17) . . ? 
F4 P1 F5 81.2(12) . . ? 
F6 P1 F5 164.0(16) . . ? 
F3 P1 F5 96.4(14) . . ? 
F2 P1 F1 157.8(18) . . ? 
F4 P1 F1 91.1(12) . . ? 
F6 P1 F1 88.9(15) . . ? 
F3 P1 F1 81.3(14) . . ? 
F5 P1 F1 77.4(13) . . ? 
Cl1 C50 Cl2 114(2) . . ? 
Cl3 C60 Cl4 109(2) . . ? 

_diffrn_measured_fraction_theta_max    0.997 
_diffrn_reflns_theta_full              22.50 
_diffrn_measured_fraction_theta_full   0.997 
_refine_diff_density_max    1.059 
_refine_diff_density_min   -1.163 
_refine_diff_density_rms    0.109 

#===END

data_[PtL4][REO4]2 

_database_code_CSD	158330


_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
'C56 H42 N8 O12 Pt Re2' 
_chemical_formula_weight          1586.47 

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' 
'O'  'O'   0.0106   0.0060 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
'Re'  'Re'  -1.0185   7.2310 
'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            triclinic 
_symmetry_space_group_name_H-M    P-1 #(2) 

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

_cell_length_a                    10.1818(14) 
_cell_length_b                    14.618(2) 
_cell_length_c                    17.408(2) 
_cell_angle_alpha                 72.888(3) 
_cell_angle_beta                  88.487(3) 
_cell_angle_gamma                 71.773(2) 
_cell_volume                      2346.0(6) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     'reflections from 60 data frames'  
_cell_measurement_theta_min       1.5    
_cell_measurement_theta_max       28.3   

_exptl_crystal_description        block 
_exptl_crystal_colour             colourless 
_exptl_crystal_size_max           0.28 
_exptl_crystal_size_mid           0.34 
_exptl_crystal_size_min           0.34 
_exptl_crystal_density_meas       'not measured'   
_exptl_crystal_density_diffrn     2.246 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              1516 
_exptl_absorpt_coefficient_mu     8.203 
_exptl_absorpt_correction_type    empirical 
_exptl_absorpt_correction_T_min   0.2053   
_exptl_absorpt_correction_T_max   0.4921   
_exptl_absorpt_process_details    ? 

_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   'Siemens SMART CCD'   
_diffrn_measurement_method        'hemisphere scans'   
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          '50 standard frames at start and end'   
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         < 
_diffrn_reflns_number             9465 
_diffrn_reflns_av_R_equivalents   0.0159 
_diffrn_reflns_av_sigmaI/netI     0.0177 
_diffrn_reflns_limit_h_min        -10 
_diffrn_reflns_limit_h_max        10 
_diffrn_reflns_limit_k_min        -11 
_diffrn_reflns_limit_k_max        15 
_diffrn_reflns_limit_l_min        -15 
_diffrn_reflns_limit_l_max        18 
_diffrn_reflns_theta_min          2.18 
_diffrn_reflns_theta_max          22.50 
_reflns_number_total              6103 
_reflns_number_gt                 5367 
_reflns_threshold_expression      >2sigma(I) 

_computing_data_collection        'Siemens SMART'   
_computing_cell_refinement        'Siemens SAINT'   
_computing_data_reduction         'Siemens SHELXTL XPREP'   
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     'Siemens SHELXTL XP'   
_computing_publication_material   'Siemens SHELXTL 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^)+(0.0504P)^2^+7.3658P] 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          6103 
_refine_ls_number_parameters      568 
_refine_ls_number_restraints      2 
_refine_ls_R_factor_all           0.0369 
_refine_ls_R_factor_gt            0.0310 
_refine_ls_wR_factor_ref          0.0844 
_refine_ls_wR_factor_gt           0.0802 
_refine_ls_goodness_of_fit_ref    1.033 
_refine_ls_restrained_S_all       1.036 
_refine_ls_shift/su_max           0.601 
_refine_ls_shift/su_mean          0.016 

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 1.62159(3) 0.290047(19) -0.691900(15) 0.03806(10) Uani 1 1 d . . . 
O1 O 1.7178(8) 0.7033(5) -0.9235(4) 0.093(2) Uani 1 1 d . . . 
O2 O 1.4604(6) 0.4274(5) -0.3681(3) 0.0684(16) Uani 1 1 d . . . 
O3 O 1.5318(6) -0.1500(4) -0.5264(3) 0.0604(14) Uani 1 1 d . . . 
O4 O 1.7534(7) 0.1982(6) -1.0352(4) 0.086(2) Uani 1 1 d . . . 
N1 N 1.5770(6) 0.4371(4) -0.7542(3) 0.0419(13) Uani 1 1 d . . . 
N2 N 1.8825(8) 0.5755(6) -0.8380(6) 0.097(3) Uani 1 1 d . . . 
H2A H 1.9012 0.5170 -0.8027 0.116 Uiso 1 1 calc R . . 
N3 N 1.6526(6) 0.3237(4) -0.5907(3) 0.0387(13) Uani 1 1 d . . . 
N4 N 1.3546(7) 0.3404(5) -0.4150(4) 0.0616(18) Uani 1 1 d . . . 
H4A H 1.3597 0.3036 -0.4462 0.074 Uiso 1 1 calc R . . 
N5 N 1.6685(6) 0.1412(4) -0.6307(3) 0.0417(13) Uani 1 1 d . . . 
N6 N 1.3832(7) -0.0205(5) -0.6188(4) 0.0594(17) Uani 1 1 d . . . 
H6A H 1.3682 0.0396 -0.6510 0.071 Uiso 1 1 calc R . . 
N7 N 1.5854(6) 0.2600(4) -0.7943(3) 0.0437(14) Uani 1 1 d . . . 
N8 N 1.9105(8) 0.1436(6) -0.9301(4) 0.075(2) Uani 1 1 d . . . 
H8C H 1.9232 0.1315 -0.8789 0.090 Uiso 1 1 calc R . . 
C1 C 1.4452(8) 0.4975(6) -0.7656(5) 0.056(2) Uani 1 1 d . . . 
H1A H 1.3765 0.4709 -0.7425 0.067 Uiso 1 1 calc R . . 
C2 C 1.4084(9) 0.5969(6) -0.8100(5) 0.061(2) Uani 1 1 d . . . 
H2B H 1.3157 0.6369 -0.8179 0.073 Uiso 1 1 calc R . . 
C3 C 1.5082(9) 0.6371(6) -0.8427(5) 0.059(2) Uani 1 1 d . . . 
H3A H 1.4844 0.7047 -0.8731 0.071 Uiso 1 1 calc R . . 
C4 C 1.6453(8) 0.5767(6) -0.8304(4) 0.0505(18) Uani 1 1 d . . . 
C5 C 1.6760(8) 0.4765(5) -0.7859(4) 0.0473(17) Uani 1 1 d . . . 
H5A H 1.7679 0.4351 -0.7776 0.057 Uiso 1 1 calc R . . 
C6 C 1.7538(9) 0.6228(7) -0.8682(5) 0.067(2) Uani 1 1 d . . . 
C7 C 1.9937(15) 0.6171(13) -0.8613(11) 0.162(8) Uani 1 1 d . . . 
H7A H 2.0584 0.5978 -0.8150 0.194 Uiso 1 1 calc R . . 
H7B H 1.9565 0.6902 -0.8800 0.194 Uiso 1 1 calc R . . 
C8 C 2.062(2) 0.582(2) -0.9220(11) 0.260(19) Uani 1 1 d D . . 
H8A H 1.9873 0.5806 -0.9543 0.312 Uiso 1 1 calc R . . 
H8B H 2.0889 0.6393 -0.9538 0.312 Uiso 1 1 calc R . . 
C9 C 2.170(3) 0.5018(18) -0.9293(18) 0.32(3) Uani 1 1 d D . . 
H9A H 2.1331 0.4541 -0.9425 0.384 Uiso 1 1 calc R . . 
H9B H 2.2242 0.4679 -0.8781 0.384 Uiso 1 1 calc R . . 
C10 C 2.258(3) 0.533(2) -0.9908(16) 0.285(19) Uani 1 1 d D . . 
H10A H 2.3189 0.4750 -1.0029 0.427 Uiso 1 1 calc R . . 
H10B H 2.3113 0.5670 -0.9720 0.427 Uiso 1 1 calc R . . 
H10C H 2.2015 0.5785 -1.0386 0.427 Uiso 1 1 calc R . . 
C11 C 1.7692(8) 0.3392(6) -0.5749(5) 0.0510(18) Uani 1 1 d . . . 
H11A H 1.8399 0.3299 -0.6095 0.061 Uiso 1 1 calc R . . 
C12 C 1.7899(8) 0.3686(6) -0.5092(5) 0.058(2) Uani 1 1 d . . . 
H12A H 1.8726 0.3792 -0.4997 0.069 Uiso 1 1 calc R . . 
C13 C 1.6861(8) 0.3819(5) -0.4582(4) 0.0495(18) Uani 1 1 d . . . 
H13A H 1.6966 0.4034 -0.4142 0.059 Uiso 1 1 calc R . . 
C14 C 1.5650(7) 0.3631(5) -0.4723(4) 0.0402(16) Uani 1 1 d . . . 
C15 C 1.5511(7) 0.3362(5) -0.5392(4) 0.0386(15) Uani 1 1 d . . . 
H15A H 1.4687 0.3260 -0.5501 0.046 Uiso 1 1 calc R . . 
C16 C 1.4550(8) 0.3798(5) -0.4136(4) 0.0455(17) Uani 1 1 d . . . 
C17 C 1.2356(10) 0.3565(8) -0.3659(6) 0.078(3) Uani 1 1 d . . . 
H17A H 1.1533 0.3988 -0.4011 0.094 Uiso 1 1 calc R . . 
H17B H 1.2497 0.3927 -0.3299 0.094 Uiso 1 1 calc R . . 
C18 C 1.2115(17) 0.2629(14) -0.3178(11) 0.185(9) Uani 1 1 d . . . 
H18A H 1.1365 0.2840 -0.2848 0.221 Uiso 1 1 calc R . . 
H18B H 1.1735 0.2396 -0.3561 0.221 Uiso 1 1 calc R . . 
C19 C 1.2963(18) 0.1856(15) -0.2720(10) 0.169(8) Uani 1 1 d . . . 
H19A H 1.3361 0.2073 -0.2332 0.203 Uiso 1 1 calc R . . 
H19B H 1.3706 0.1616 -0.3043 0.203 Uiso 1 1 calc R . . 
C20 C 1.2551(16) 0.0918(12) -0.2228(9) 0.145(6) Uani 1 1 d . . . 
H20A H 1.3335 0.0429 -0.1884 0.218 Uiso 1 1 calc R . . 
H20B H 1.2265 0.0623 -0.2592 0.218 Uiso 1 1 calc R . . 
H20C H 1.1802 0.1124 -0.1905 0.218 Uiso 1 1 calc R . . 
C21 C 1.7976(8) 0.0870(6) -0.5986(4) 0.0503(18) Uani 1 1 d . . . 
H21A H 1.8642 0.1195 -0.6045 0.060 Uiso 1 1 calc R . . 
C22 C 1.8361(8) -0.0138(6) -0.5574(5) 0.056(2) Uani 1 1 d . . . 
H22A H 1.9262 -0.0487 -0.5346 0.067 Uiso 1 1 calc R . . 
C23 C 1.7377(8) -0.0625(6) -0.5503(5) 0.0539(19) Uani 1 1 d . . . 
H23A H 1.7612 -0.1310 -0.5227 0.065 Uiso 1 1 calc R . . 
C24 C 1.6054(8) -0.0094(5) -0.5844(4) 0.0453(17) Uani 1 1 d . . . 
C25 C 1.5733(7) 0.0936(5) -0.6236(4) 0.0433(16) Uani 1 1 d . . . 
H25A H 1.4833 0.1305 -0.6457 0.052 Uiso 1 1 calc R . . 
C26 C 1.5031(8) -0.0653(5) -0.5747(4) 0.0472(17) Uani 1 1 d . . . 
C27 C 1.2750(9) -0.0678(7) -0.6157(5) 0.063(2) Uani 1 1 d . . . 
H27A H 1.1855 -0.0181 -0.6162 0.076 Uiso 1 1 calc R . . 
H27B H 1.2891 -0.1218 -0.5653 0.076 Uiso 1 1 calc R . . 
C28 C 1.2730(9) -0.1099(7) -0.6840(5) 0.063(2) Uani 1 1 d . . . 
H28A H 1.3570 -0.1664 -0.6788 0.076 Uiso 1 1 calc R . . 
H28B H 1.2726 -0.0585 -0.7342 0.076 Uiso 1 1 calc R . . 
C29 C 1.1488(9) -0.1449(7) -0.6872(6) 0.073(2) Uani 1 1 d . . . 
H29A H 1.1391 -0.1861 -0.6337 0.087 Uiso 1 1 calc R . . 
H29B H 1.0660 -0.0863 -0.7024 0.087 Uiso 1 1 calc R . . 
C30 C 1.1582(13) -0.2044(10) -0.7451(8) 0.112(4) Uani 1 1 d . . . 
H30A H 1.0767 -0.2243 -0.7442 0.167 Uiso 1 1 calc R . . 
H30B H 1.2387 -0.2634 -0.7298 0.167 Uiso 1 1 calc R . . 
H30C H 1.1652 -0.1635 -0.7985 0.167 Uiso 1 1 calc R . . 
C31 C 1.4589(9) 0.2615(7) -0.8150(5) 0.060(2) Uani 1 1 d . . . 
H31A H 1.3867 0.2788 -0.7827 0.072 Uiso 1 1 calc R . . 
C32 C 1.4330(10) 0.2379(8) -0.8834(5) 0.072(3) Uani 1 1 d . . . 
H32A H 1.3447 0.2385 -0.8963 0.087 Uiso 1 1 calc R . . 
C33 C 1.5352(10) 0.2144(7) -0.9307(5) 0.067(2) Uani 1 1 d . . . 
H33A H 1.5168 0.2017 -0.9779 0.080 Uiso 1 1 calc R . . 
C34 C 1.6665(8) 0.2087(6) -0.9105(4) 0.0521(19) Uani 1 1 d . . . 
C35 C 1.6874(8) 0.2351(6) -0.8420(4) 0.0498(18) Uani 1 1 d . . . 
H35A H 1.7753 0.2355 -0.8291 0.060 Uiso 1 1 calc R . . 
C36 C 1.7821(9) 0.1825(7) -0.9631(5) 0.066(2) Uani 1 1 d . . . 
C37 C 2.0318(11) 0.1200(9) -0.9761(6) 0.097(4) Uani 1 1 d . . . 
H37A H 2.0152 0.0848 -1.0124 0.117 Uiso 1 1 calc R . . 
H37B H 2.0449 0.1825 -1.0086 0.117 Uiso 1 1 calc R . . 
C38 C 2.1538(11) 0.0596(10) -0.9263(7) 0.104(4) Uani 1 1 d . . . 
H38A H 2.1392 -0.0029 -0.8952 0.125 Uiso 1 1 calc R . . 
H38B H 2.1652 0.0942 -0.8884 0.125 Uiso 1 1 calc R . . 
C39 C 2.2846(11) 0.0335(10) -0.9644(7) 0.102(4) Uani 1 1 d . . . 
H39A H 2.3037 0.0953 -0.9929 0.122 Uiso 1 1 calc R . . 
H39B H 2.2739 0.0009 -1.0039 0.122 Uiso 1 1 calc R . . 
C40 C 2.4073(13) -0.0351(13) -0.9065(8) 0.143(6) Uani 1 1 d . . . 
H40A H 2.4886 -0.0495 -0.9358 0.214 Uiso 1 1 calc R . . 
H40B H 2.3902 -0.0969 -0.8784 0.214 Uiso 1 1 calc R . . 
H40C H 2.4213 -0.0024 -0.8683 0.214 Uiso 1 1 calc R . . 
Re1 Re 1.14343(3) 0.39730(3) -0.63018(2) 0.06164(13) Uani 1 1 d . . . 
O5 O 0.9852(6) 0.4326(5) -0.6815(4) 0.0726(16) Uani 1 1 d . . . 
O6 O 1.1371(7) 0.3282(6) -0.5329(4) 0.098(2) Uani 1 1 d . . . 
O7 O 1.2711(7) 0.3275(6) -0.6740(5) 0.106(2) Uani 1 1 d . . . 
O8 O 1.1828(10) 0.5021(7) -0.6332(6) 0.126(3) Uani 1 1 d . . . 
Re2 Re 1.06603(3) 0.19787(2) -0.73804(2) 0.05539(12) Uani 1 1 d . . . 
O9 O 1.2402(6) 0.1558(4) -0.7521(4) 0.0705(16) Uani 1 1 d . . . 
O10 O 0.9891(6) 0.1164(5) -0.7572(4) 0.0724(16) Uani 1 1 d . . . 
O11 O 1.0424(6) 0.1967(5) -0.6401(4) 0.0728(16) Uani 1 1 d . . . 
O12 O 0.9864(8) 0.3141(5) -0.8021(4) 0.097(2) Uani 1 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 
Pt1 0.03849(17) 0.03778(17) 0.03832(16) -0.00939(12) 0.00477(11) -0.01484(12) 
O1 0.103(5) 0.074(4) 0.083(4) 0.021(4) -0.006(4) -0.042(4) 
O2 0.076(4) 0.091(4) 0.061(3) -0.043(3) 0.018(3) -0.039(3) 
O3 0.063(3) 0.046(3) 0.069(3) -0.007(3) 0.002(3) -0.023(3) 
O4 0.081(4) 0.116(5) 0.052(4) -0.032(4) 0.004(3) -0.014(4) 
N1 0.044(4) 0.039(3) 0.043(3) -0.007(3) 0.003(3) -0.018(3) 
N2 0.060(5) 0.080(6) 0.123(7) 0.028(5) -0.009(5) -0.039(5) 
N3 0.040(3) 0.033(3) 0.046(3) -0.013(2) 0.005(3) -0.014(3) 
N4 0.062(4) 0.077(5) 0.066(4) -0.041(4) 0.028(3) -0.034(4) 
N5 0.046(4) 0.043(3) 0.040(3) -0.011(3) 0.005(3) -0.022(3) 
N6 0.057(4) 0.051(4) 0.066(4) -0.001(3) 0.001(3) -0.026(3) 
N7 0.046(4) 0.045(3) 0.041(3) -0.012(3) 0.001(3) -0.016(3) 
N8 0.058(5) 0.098(6) 0.056(4) -0.030(4) 0.002(4) -0.002(4) 
C1 0.041(5) 0.059(5) 0.062(5) -0.014(4) 0.004(4) -0.014(4) 
C2 0.051(5) 0.046(5) 0.073(5) -0.011(4) 0.000(4) -0.004(4) 
C3 0.066(6) 0.041(4) 0.060(5) -0.006(4) -0.012(4) -0.011(4) 
C4 0.059(5) 0.049(5) 0.043(4) -0.007(3) -0.003(3) -0.022(4) 
C5 0.049(4) 0.043(4) 0.046(4) -0.006(3) -0.001(3) -0.014(4) 
C6 0.065(6) 0.060(5) 0.068(5) 0.001(5) -0.003(4) -0.028(5) 
C7 0.097(10) 0.157(14) 0.183(16) 0.052(13) 0.004(10) -0.071(10) 
C8 0.24(3) 0.54(6) 0.090(12) -0.07(2) 0.053(15) -0.28(4) 
C9 0.27(4) 0.123(19) 0.49(6) 0.00(3) -0.22(4) -0.02(2) 
C10 0.39(5) 0.26(3) 0.24(3) 0.03(2) 0.03(3) -0.24(4) 
C11 0.044(4) 0.060(5) 0.057(5) -0.021(4) 0.012(4) -0.024(4) 
C12 0.052(5) 0.075(6) 0.056(5) -0.020(4) -0.002(4) -0.034(4) 
C13 0.057(5) 0.047(4) 0.049(4) -0.020(4) 0.003(4) -0.019(4) 
C14 0.043(4) 0.035(4) 0.044(4) -0.010(3) 0.004(3) -0.016(3) 
C15 0.041(4) 0.036(4) 0.040(4) -0.009(3) 0.005(3) -0.017(3) 
C16 0.046(4) 0.039(4) 0.047(4) -0.012(3) 0.002(3) -0.008(3) 
C17 0.067(6) 0.104(8) 0.087(7) -0.049(6) 0.039(5) -0.041(6) 
C18 0.110(12) 0.170(16) 0.188(17) 0.024(14) 0.095(12) -0.007(11) 
C19 0.126(13) 0.173(17) 0.134(13) 0.006(12) 0.048(11) 0.002(12) 
C20 0.148(14) 0.144(13) 0.118(11) 0.011(10) -0.004(10) -0.058(11) 
C21 0.046(5) 0.054(5) 0.051(4) -0.007(4) 0.000(3) -0.023(4) 
C22 0.047(5) 0.047(5) 0.062(5) -0.008(4) -0.007(4) -0.007(4) 
C23 0.054(5) 0.045(4) 0.057(4) -0.009(4) -0.002(4) -0.012(4) 
C24 0.051(4) 0.043(4) 0.044(4) -0.012(3) 0.005(3) -0.018(4) 
C25 0.042(4) 0.042(4) 0.042(4) -0.013(3) 0.003(3) -0.008(3) 
C26 0.052(5) 0.041(4) 0.044(4) -0.010(4) 0.005(4) -0.012(4) 
C27 0.057(5) 0.062(5) 0.071(5) -0.010(4) 0.009(4) -0.030(4) 
C28 0.057(5) 0.062(5) 0.071(5) -0.017(4) 0.005(4) -0.022(4) 
C29 0.064(6) 0.060(5) 0.092(7) -0.018(5) -0.005(5) -0.020(5) 
C30 0.112(10) 0.120(10) 0.131(10) -0.060(8) 0.007(8) -0.054(8) 
C31 0.054(5) 0.077(6) 0.054(5) -0.015(4) 0.004(4) -0.031(4) 
C32 0.059(6) 0.117(8) 0.058(5) -0.032(5) 0.001(4) -0.044(6) 
C33 0.079(6) 0.087(6) 0.045(4) -0.021(4) 0.001(4) -0.039(5) 
C34 0.057(5) 0.062(5) 0.044(4) -0.021(4) 0.001(4) -0.023(4) 
C35 0.044(4) 0.056(5) 0.048(4) -0.017(4) -0.002(3) -0.014(4) 
C36 0.065(6) 0.075(6) 0.052(5) -0.024(4) 0.006(4) -0.009(5) 
C37 0.079(7) 0.115(9) 0.072(6) -0.029(6) 0.011(6) 0.005(7) 
C38 0.065(7) 0.136(10) 0.109(9) -0.055(8) 0.019(6) -0.012(7) 
C39 0.074(7) 0.126(10) 0.095(8) -0.037(7) 0.031(6) -0.017(7) 
C40 0.087(9) 0.188(16) 0.121(11) -0.037(11) 0.013(8) -0.009(10) 
Re1 0.0424(2) 0.0842(3) 0.0705(2) -0.03279(19) 0.00712(16) -0.02839(18) 
O5 0.059(4) 0.081(4) 0.077(4) -0.013(3) -0.013(3) -0.031(3) 
O6 0.078(5) 0.140(7) 0.066(4) -0.021(4) -0.002(3) -0.029(5) 
O7 0.070(4) 0.129(6) 0.121(6) -0.048(5) 0.042(4) -0.029(4) 
O8 0.121(7) 0.138(7) 0.162(8) -0.070(6) 0.012(6) -0.076(6) 
Re2 0.0471(2) 0.0515(2) 0.0617(2) -0.01620(16) 0.00092(15) -0.00834(15) 
O9 0.055(4) 0.068(4) 0.084(4) -0.022(3) 0.019(3) -0.017(3) 
O10 0.062(4) 0.077(4) 0.081(4) -0.027(3) -0.008(3) -0.022(3) 
O11 0.066(4) 0.087(4) 0.073(4) -0.034(3) 0.012(3) -0.025(3) 
O12 0.113(6) 0.063(4) 0.095(5) -0.018(4) -0.011(4) -0.005(4) 

_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 N1 2.012(5) . ? 
Pt1 N3 2.020(5) . ? 
Pt1 N7 2.026(5) . ? 
Pt1 N5 2.027(5) . ? 
O1 C6 1.236(10) . ? 
O2 C16 1.211(8) . ? 
O3 C26 1.224(8) . ? 
O4 C36 1.233(10) . ? 
N1 C1 1.338(9) . ? 
N1 C5 1.342(9) . ? 
N2 C6 1.314(11) . ? 
N2 C7 1.441(14) . ? 
N3 C11 1.327(9) . ? 
N3 C15 1.354(8) . ? 
N4 C16 1.325(9) . ? 
N4 C17 1.462(10) . ? 
N5 C21 1.339(9) . ? 
N5 C25 1.344(9) . ? 
N6 C26 1.327(9) . ? 
N6 C27 1.465(10) . ? 
N7 C31 1.338(10) . ? 
N7 C35 1.340(9) . ? 
N8 C36 1.321(11) . ? 
N8 C37 1.460(12) . ? 
C1 C2 1.366(11) . ? 
C2 C3 1.359(12) . ? 
C3 C4 1.382(11) . ? 
C4 C5 1.379(10) . ? 
C4 C6 1.508(11) . ? 
C7 C8 1.39(2) . ? 
C8 C9 1.365(19) . ? 
C9 C10 1.442(19) . ? 
C11 C12 1.376(10) . ? 
C12 C13 1.366(11) . ? 
C13 C14 1.387(10) . ? 
C14 C15 1.358(9) . ? 
C14 C16 1.508(10) . ? 
C17 C18 1.469(18) . ? 
C18 C19 1.246(19) . ? 
C19 C20 1.56(2) . ? 
C21 C22 1.368(10) . ? 
C22 C23 1.383(11) . ? 
C23 C24 1.374(10) . ? 
C24 C25 1.393(10) . ? 
C24 C26 1.491(10) . ? 
C27 C28 1.493(12) . ? 
C28 C29 1.514(12) . ? 
C29 C30 1.497(14) . ? 
C31 C32 1.387(12) . ? 
C32 C33 1.332(12) . ? 
C33 C34 1.362(11) . ? 
C34 C35 1.396(10) . ? 
C34 C36 1.497(11) . ? 
C37 C38 1.413(14) . ? 
C38 C39 1.464(13) . ? 
C39 C40 1.507(16) . ? 
Re1 O8 1.687(8) . ? 
Re1 O7 1.700(7) . ? 
Re1 O6 1.709(7) . ? 
Re1 O5 1.716(5) . ? 
Re2 O12 1.691(7) . ? 
Re2 O11 1.712(6) . ? 
Re2 O9 1.722(5) . ? 
Re2 O10 1.724(6) . ? 

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 
N1 Pt1 N3 89.0(2) . . ? 
N1 Pt1 N7 89.8(2) . . ? 
N3 Pt1 N7 178.3(2) . . ? 
N1 Pt1 N5 179.0(2) . . ? 
N3 Pt1 N5 91.8(2) . . ? 
N7 Pt1 N5 89.5(2) . . ? 
C1 N1 C5 118.7(6) . . ? 
C1 N1 Pt1 119.6(5) . . ? 
C5 N1 Pt1 121.7(5) . . ? 
C6 N2 C7 123.0(9) . . ? 
C11 N3 C15 118.1(6) . . ? 
C11 N3 Pt1 121.3(5) . . ? 
C15 N3 Pt1 120.5(4) . . ? 
C16 N4 C17 123.0(7) . . ? 
C21 N5 C25 118.3(6) . . ? 
C21 N5 Pt1 120.4(5) . . ? 
C25 N5 Pt1 121.3(5) . . ? 
C26 N6 C27 123.6(7) . . ? 
C31 N7 C35 118.0(6) . . ? 
C31 N7 Pt1 120.6(5) . . ? 
C35 N7 Pt1 121.4(5) . . ? 
C36 N8 C37 123.2(8) . . ? 
N1 C1 C2 122.0(7) . . ? 
C3 C2 C1 119.5(8) . . ? 
C2 C3 C4 119.5(7) . . ? 
C3 C4 C5 118.4(7) . . ? 
C3 C4 C6 118.4(7) . . ? 
C5 C4 C6 123.2(7) . . ? 
N1 C5 C4 121.9(7) . . ? 
O1 C6 N2 123.7(8) . . ? 
O1 C6 C4 119.2(8) . . ? 
N2 C6 C4 117.1(7) . . ? 
N2 C7 C8 110.3(18) . . ? 
C9 C8 C7 138(2) . . ? 
C8 C9 C10 112(3) . . ? 
N3 C11 C12 122.7(7) . . ? 
C13 C12 C11 118.5(7) . . ? 
C12 C13 C14 119.8(7) . . ? 
C15 C14 C13 118.3(6) . . ? 
C15 C14 C16 124.9(6) . . ? 
C13 C14 C16 116.7(6) . . ? 
N3 C15 C14 122.6(6) . . ? 
O2 C16 N4 122.8(7) . . ? 
O2 C16 C14 120.4(7) . . ? 
N4 C16 C14 116.8(6) . . ? 
N4 C17 C18 114.0(9) . . ? 
C19 C18 C17 128.3(18) . . ? 
C18 C19 C20 122.8(18) . . ? 
N5 C21 C22 123.2(7) . . ? 
C21 C22 C23 118.3(7) . . ? 
C24 C23 C22 119.9(7) . . ? 
C23 C24 C25 118.4(7) . . ? 
C23 C24 C26 117.7(6) . . ? 
C25 C24 C26 123.8(7) . . ? 
N5 C25 C24 121.9(6) . . ? 
O3 C26 N6 122.5(7) . . ? 
O3 C26 C24 119.2(7) . . ? 
N6 C26 C24 118.3(6) . . ? 
N6 C27 C28 113.3(7) . . ? 
C27 C28 C29 113.0(7) . . ? 
C30 C29 C28 113.6(9) . . ? 
N7 C31 C32 121.5(8) . . ? 
C33 C32 C31 119.8(8) . . ? 
C32 C33 C34 120.6(8) . . ? 
C33 C34 C35 117.7(7) . . ? 
C33 C34 C36 121.1(7) . . ? 
C35 C34 C36 121.1(7) . . ? 
N7 C35 C34 122.3(7) . . ? 
O4 C36 N8 123.0(8) . . ? 
O4 C36 C34 118.6(8) . . ? 
N8 C36 C34 118.3(7) . . ? 
C38 C37 N8 112.5(9) . . ? 
C37 C38 C39 118.4(10) . . ? 
C38 C39 C40 114.3(10) . . ? 
O8 Re1 O7 107.1(4) . . ? 
O8 Re1 O6 110.8(4) . . ? 
O7 Re1 O6 109.2(4) . . ? 
O8 Re1 O5 108.8(4) . . ? 
O7 Re1 O5 111.3(4) . . ? 
O6 Re1 O5 109.5(3) . . ? 
O12 Re2 O11 110.8(3) . . ? 
O12 Re2 O9 111.8(4) . . ? 
O11 Re2 O9 110.3(3) . . ? 
O12 Re2 O10 107.5(3) . . ? 
O11 Re2 O10 107.7(3) . . ? 
O9 Re2 O10 108.6(3) . . ? 

_diffrn_measured_fraction_theta_max    0.995 
_diffrn_reflns_theta_full              22.50 
_diffrn_measured_fraction_theta_full   0.995 
_refine_diff_density_max    1.572 
_refine_diff_density_min   -1.221 
_refine_diff_density_rms    0.114

#===END