# Electronic Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 2013

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
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#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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#  data retrieval see:
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#  from this site to visualise CIF-encoded structures and 
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data_arc_2

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C28 H25 Cl2 Fe N3 O5 Pt'
_chemical_formula_sum            'C28 H25 Cl2 Fe N3 O5 Pt'
_chemical_formula_weight         805.35

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 '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'
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                   10.903(5)
_cell_length_b                   11.447(5)
_cell_length_c                   11.741(5)
_cell_angle_alpha                76.850(5)
_cell_angle_beta                 76.038(5)
_cell_angle_gamma                85.057(5)
_cell_volume                     1384.0(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.933
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             784
_exptl_absorpt_coefficient_mu    5.810
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.2746
_exptl_absorpt_correction_T_max  0.5942
_exptl_absorpt_process_details   SADABS(Sheldrick,1997)

_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  'Bruker Smart CCD Area Detector'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            29249
_diffrn_reflns_av_R_equivalents  0.0622
_diffrn_reflns_av_sigmaI/netI    0.0989
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.83
_diffrn_reflns_theta_max         30.62
_reflns_number_total             8319
_reflns_number_gt                4840
_reflns_threshold_expression     >2\s(I)

_computing_data_collection       'Bruker Smart'
_computing_cell_refinement       'Bruker Smart'
_computing_data_reduction        'Bruker Saint'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

_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^ > 2\s(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^)+(0.0418P)^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    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8319
_refine_ls_number_parameters     361
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1133
_refine_ls_R_factor_gt           0.0466
_refine_ls_wR_factor_ref         0.0992
_refine_ls_wR_factor_gt          0.0819
_refine_ls_goodness_of_fit_ref   0.952
_refine_ls_restrained_S_all      0.952
_refine_ls_shift/su_max          0.001
_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 0.82333(2) 0.46158(2) 0.11302(2) 0.04338(9) Uani 1 1 d . . .
Fe1 Fe 1.33191(7) 0.31381(8) 0.46653(7) 0.0425(2) Uani 1 1 d . . .
Cl1 Cl 0.69197(17) 0.49399(18) -0.01775(16) 0.0722(5) Uani 1 1 d . . .
Cl2 Cl 0.8071(2) 0.0940(2) 0.68862(19) 0.0835(6) Uani 1 1 d . . .
N1 N 0.8957(4) 0.6259(4) 0.0713(4) 0.0450(12) Uani 1 1 d . . .
N2 N 0.9329(4) 0.4358(4) 0.2230(4) 0.0408(11) Uani 1 1 d . . .
N3 N 0.7883(4) 0.2886(5) 0.1905(4) 0.0475(12) Uani 1 1 d . . .
O1 O 0.6962(8) 0.0817(8) 0.6579(9) 0.182(4) Uani 1 1 d . . .
O2 O 0.7853(9) 0.0698(7) 0.8118(6) 0.152(3) Uani 1 1 d . . .
O3 O 0.8233(8) 0.2242(6) 0.6489(7) 0.140(3) Uani 1 1 d . . .
O4 O 0.9001(10) 0.0392(10) 0.6292(10) 0.234(6) Uani 1 1 d . . .
O5 O 0.6267(6) 0.8610(6) 0.1396(5) 0.104(2) Uani 1 1 d . . .
C1 C 1.4791(9) 0.3518(8) 0.3223(10) 0.104(3) Uani 1 1 d . . .
H1 H 1.5005 0.4280 0.2767 0.125 Uiso 1 1 calc R . .
C2 C 1.5229(7) 0.2932(9) 0.4209(9) 0.081(2) Uani 1 1 d . . .
H2 H 1.5799 0.3241 0.4530 0.098 Uiso 1 1 calc R . .
C3 C 1.4725(7) 0.1857(7) 0.4643(7) 0.070(2) Uani 1 1 d . . .
H3 H 1.4872 0.1309 0.5317 0.085 Uiso 1 1 calc R . .
C4 C 1.3948(7) 0.1690(8) 0.3929(8) 0.081(3) Uani 1 1 d . . .
H4 H 1.3499 0.1007 0.4022 0.097 Uiso 1 1 calc R . .
C5 C 1.3961(8) 0.2753(11) 0.3029(7) 0.093(3) Uani 1 1 d . . .
H5 H 1.3510 0.2911 0.2429 0.111 Uiso 1 1 calc R . .
C6 C 1.2358(6) 0.4697(6) 0.4914(5) 0.0523(16) Uani 1 1 d . . .
H6 H 1.2531 0.5452 0.4421 0.063 Uiso 1 1 calc R . .
C7 C 1.2871(6) 0.4180(6) 0.5914(6) 0.0596(18) Uani 1 1 d . . .
H7 H 1.3435 0.4540 0.6198 0.072 Uiso 1 1 calc R . .
C8 C 1.2391(6) 0.3030(6) 0.6411(5) 0.0532(16) Uani 1 1 d . . .
H8 H 1.2584 0.2495 0.7074 0.064 Uiso 1 1 calc R . .
C9 C 1.1563(5) 0.2830(6) 0.5726(5) 0.0462(14) Uani 1 1 d . . .
H9 H 1.1114 0.2136 0.5865 0.055 Uiso 1 1 calc R . .
C10 C 1.1522(5) 0.3852(5) 0.4791(5) 0.0414(13) Uani 1 1 d . . .
C11 C 1.0809(5) 0.4016(5) 0.3871(5) 0.0390(13) Uani 1 1 d . . .
C12 C 1.0104(5) 0.3082(5) 0.3797(5) 0.0440(14) Uani 1 1 d . . .
H12 H 1.0136 0.2335 0.4308 0.053 Uiso 1 1 calc R . .
C13 C 0.9364(5) 0.3265(5) 0.2972(5) 0.0391(13) Uani 1 1 d . . .
C14 C 0.8536(5) 0.2399(5) 0.2774(5) 0.0427(14) Uani 1 1 d . . .
C15 C 0.8433(6) 0.1233(6) 0.3364(6) 0.0535(16) Uani 1 1 d . . .
H15 H 0.8883 0.0923 0.3953 0.064 Uiso 1 1 calc R . .
C16 C 0.7650(6) 0.0519(6) 0.3074(7) 0.0655(19) Uani 1 1 d . . .
H16 H 0.7563 -0.0283 0.3465 0.079 Uiso 1 1 calc R . .
C17 C 0.7000(7) 0.1002(7) 0.2204(7) 0.072(2) Uani 1 1 d . . .
H17 H 0.6467 0.0525 0.2008 0.086 Uiso 1 1 calc R . .
C18 C 0.7128(6) 0.2182(6) 0.1617(6) 0.0570(17) Uani 1 1 d . . .
H18 H 0.6691 0.2498 0.1020 0.068 Uiso 1 1 calc R . .
C19 C 0.8731(6) 0.7228(7) -0.0131(5) 0.0600(18) Uani 1 1 d . . .
H19 H 0.8159 0.7172 -0.0588 0.072 Uiso 1 1 calc R . .
C20 C 0.9316(7) 0.8271(6) -0.0323(6) 0.067(2) Uani 1 1 d . . .
H20 H 0.9122 0.8927 -0.0890 0.081 Uiso 1 1 calc R . .
C21 C 1.0179(7) 0.8371(6) 0.0296(6) 0.0644(19) Uani 1 1 d . . .
H21 H 1.0598 0.9084 0.0142 0.077 Uiso 1 1 calc R . .
C22 C 1.0435(6) 0.7399(6) 0.1168(6) 0.0568(17) Uani 1 1 d . . .
H22 H 1.1021 0.7455 0.1611 0.068 Uiso 1 1 calc R . .
C23 C 0.9816(5) 0.6361(5) 0.1363(5) 0.0438(14) Uani 1 1 d . . .
C24 C 1.0007(5) 0.5272(5) 0.2260(5) 0.0397(13) Uani 1 1 d . . .
C25 C 1.0751(5) 0.5117(5) 0.3075(5) 0.0421(13) Uani 1 1 d . . .
H25 H 1.1220 0.5749 0.3098 0.051 Uiso 1 1 calc R . .
C26 C 0.5285(9) 0.8417(8) -0.0100(7) 0.102(3) Uani 1 1 d . . .
H26A H 0.5776 0.9099 -0.0548 0.154 Uiso 1 1 calc R . .
H26B H 0.4403 0.8618 -0.0050 0.154 Uiso 1 1 calc R . .
H26C H 0.5525 0.7758 -0.0497 0.154 Uiso 1 1 calc R . .
C27 C 0.5521(7) 0.8069(7) 0.1134(7) 0.068(2) Uani 1 1 d . . .
C28 C 0.4873(9) 0.7028(8) 0.1971(8) 0.104(3) Uani 1 1 d . . .
H28A H 0.5107 0.6913 0.2728 0.156 Uiso 1 1 calc R . .
H28B H 0.5114 0.6325 0.1644 0.156 Uiso 1 1 calc R . .
H28C H 0.3975 0.7168 0.2089 0.156 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 0.04099(13) 0.04814(16) 0.04167(13) -0.00988(10) -0.01489(9) 0.01123(10)
Fe1 0.0400(4) 0.0417(5) 0.0479(5) -0.0102(4) -0.0140(4) 0.0009(4)
Cl1 0.0711(11) 0.0851(14) 0.0698(11) -0.0119(10) -0.0436(9) 0.0131(10)
Cl2 0.0775(14) 0.0987(18) 0.0764(14) -0.0169(12) -0.0203(11) -0.0123(12)
N1 0.046(3) 0.048(3) 0.036(2) -0.007(2) -0.007(2) 0.015(2)
N2 0.042(3) 0.041(3) 0.041(3) -0.009(2) -0.014(2) 0.007(2)
N3 0.043(3) 0.056(3) 0.045(3) -0.012(2) -0.014(2) 0.006(2)
O1 0.154(7) 0.176(9) 0.282(11) -0.108(8) -0.120(8) -0.004(6)
O2 0.226(9) 0.128(7) 0.086(5) 0.025(4) -0.045(5) -0.016(6)
O3 0.173(7) 0.092(5) 0.137(6) 0.021(4) -0.028(5) -0.038(5)
O4 0.209(10) 0.234(12) 0.219(10) -0.045(8) -0.031(8) 0.156(9)
O5 0.117(5) 0.111(5) 0.107(4) -0.026(4) -0.065(4) -0.017(4)
C1 0.088(7) 0.068(6) 0.107(8) 0.008(6) 0.049(6) -0.001(5)
C2 0.044(4) 0.096(7) 0.107(7) -0.032(6) -0.013(4) -0.005(4)
C3 0.062(5) 0.062(5) 0.079(5) -0.011(4) -0.016(4) 0.030(4)
C4 0.057(5) 0.086(7) 0.113(7) -0.065(6) -0.004(5) -0.006(4)
C5 0.080(6) 0.155(10) 0.046(4) -0.040(5) -0.020(4) 0.047(6)
C6 0.063(4) 0.045(4) 0.057(4) -0.020(3) -0.026(3) 0.011(3)
C7 0.063(4) 0.063(5) 0.068(4) -0.033(4) -0.030(4) 0.009(4)
C8 0.053(4) 0.064(5) 0.045(3) -0.014(3) -0.018(3) 0.011(3)
C9 0.039(3) 0.051(4) 0.046(3) -0.005(3) -0.009(3) -0.001(3)
C10 0.040(3) 0.041(4) 0.047(3) -0.014(3) -0.013(3) 0.005(3)
C11 0.035(3) 0.038(3) 0.040(3) -0.004(3) -0.007(2) 0.005(3)
C12 0.038(3) 0.042(4) 0.047(3) -0.003(3) -0.010(3) 0.007(3)
C13 0.037(3) 0.037(3) 0.042(3) -0.008(3) -0.009(2) 0.001(3)
C14 0.036(3) 0.042(4) 0.048(3) -0.012(3) -0.008(3) 0.004(3)
C15 0.050(4) 0.040(4) 0.069(4) -0.001(3) -0.021(3) -0.006(3)
C16 0.068(5) 0.039(4) 0.090(5) -0.010(4) -0.023(4) -0.001(3)
C17 0.062(5) 0.075(6) 0.090(5) -0.027(5) -0.028(4) -0.012(4)
C18 0.052(4) 0.054(5) 0.074(4) -0.016(4) -0.028(3) -0.007(3)
C19 0.064(4) 0.059(5) 0.049(4) -0.001(3) -0.019(3) 0.028(4)
C20 0.092(6) 0.039(4) 0.062(4) 0.007(3) -0.023(4) 0.017(4)
C21 0.085(5) 0.034(4) 0.067(4) -0.003(3) -0.015(4) 0.006(4)
C22 0.068(4) 0.041(4) 0.062(4) -0.008(3) -0.019(3) 0.002(3)
C23 0.047(3) 0.040(4) 0.044(3) -0.011(3) -0.011(3) 0.012(3)
C24 0.036(3) 0.035(3) 0.046(3) -0.010(3) -0.006(2) 0.001(3)
C25 0.043(3) 0.038(3) 0.047(3) -0.008(3) -0.013(3) -0.002(3)
C26 0.127(8) 0.113(8) 0.091(6) -0.034(6) -0.062(6) 0.004(6)
C27 0.072(5) 0.066(5) 0.076(5) -0.025(4) -0.029(4) 0.012(4)
C28 0.109(7) 0.087(7) 0.117(8) -0.022(6) -0.028(6) 0.003(6)

_geom_special_details            
;
All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell s.u.'s are taken
into account individually in the estimation of s.u.'s in distances, angles
and torsion angles; correlations between s.u.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell s.u.'s is used for estimating s.u.'s 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 N2 1.921(4) . ?
Pt1 N3 2.009(5) . ?
Pt1 N1 2.013(5) . ?
Pt1 Cl1 2.2928(16) . ?
Fe1 C5 2.015(7) . ?
Fe1 C1 2.027(7) . ?
Fe1 C9 2.027(6) . ?
Fe1 C3 2.027(6) . ?
Fe1 C2 2.028(7) . ?
Fe1 C6 2.033(6) . ?
Fe1 C4 2.033(7) . ?
Fe1 C8 2.036(6) . ?
Fe1 C7 2.039(6) . ?
Fe1 C10 2.042(5) . ?
Cl2 O4 1.287(8) . ?
Cl2 O1 1.369(7) . ?
Cl2 O2 1.374(7) . ?
Cl2 O3 1.469(7) . ?
N1 C19 1.358(7) . ?
N1 C23 1.371(7) . ?
N2 C24 1.344(7) . ?
N2 C13 1.356(7) . ?
N3 C18 1.347(7) . ?
N3 C14 1.371(7) . ?
O5 C27 1.197(8) . ?
C1 C2 1.370(12) . ?
C1 C5 1.401(12) . ?
C1 H1 0.9300 . ?
C2 C3 1.331(11) . ?
C2 H2 0.9300 . ?
C3 C4 1.377(10) . ?
C3 H3 0.9300 . ?
C4 C5 1.417(12) . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
C6 C7 1.409(8) . ?
C6 C10 1.438(8) . ?
C6 H6 0.9300 . ?
C7 C8 1.403(9) . ?
C7 H7 0.9300 . ?
C8 C9 1.408(8) . ?
C8 H8 0.9300 . ?
C9 C10 1.417(8) . ?
C9 H9 0.9300 . ?
C10 C11 1.447(7) . ?
C11 C25 1.394(7) . ?
C11 C12 1.399(8) . ?
C12 C13 1.374(7) . ?
C12 H12 0.9300 . ?
C13 C14 1.488(8) . ?
C14 C15 1.356(8) . ?
C15 C16 1.380(8) . ?
C15 H15 0.9300 . ?
C16 C17 1.370(9) . ?
C16 H16 0.9300 . ?
C17 C18 1.371(9) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C20 1.349(9) . ?
C19 H19 0.9300 . ?
C20 C21 1.346(10) . ?
C20 H20 0.9300 . ?
C21 C22 1.390(9) . ?
C21 H21 0.9300 . ?
C22 C23 1.363(8) . ?
C22 H22 0.9300 . ?
C23 C24 1.473(8) . ?
C24 C25 1.371(7) . ?
C25 H25 0.9300 . ?
C26 C27 1.492(10) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 C28 1.470(11) . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?

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
N2 Pt1 N3 80.92(19) . . ?
N2 Pt1 N1 80.79(19) . . ?
N3 Pt1 N1 161.71(18) . . ?
N2 Pt1 Cl1 179.47(15) . . ?
N3 Pt1 Cl1 99.46(14) . . ?
N1 Pt1 Cl1 98.83(14) . . ?
C5 Fe1 C1 40.6(4) . . ?
C5 Fe1 C9 126.0(4) . . ?
C1 Fe1 C9 163.2(4) . . ?
C5 Fe1 C3 67.7(3) . . ?
C1 Fe1 C3 66.3(3) . . ?
C9 Fe1 C3 122.3(3) . . ?
C5 Fe1 C2 67.0(3) . . ?
C1 Fe1 C2 39.5(4) . . ?
C9 Fe1 C2 155.7(3) . . ?
C3 Fe1 C2 38.3(3) . . ?
C5 Fe1 C6 122.6(3) . . ?
C1 Fe1 C6 108.5(3) . . ?
C9 Fe1 C6 68.5(3) . . ?
C3 Fe1 C6 159.3(3) . . ?
C2 Fe1 C6 125.1(3) . . ?
C5 Fe1 C4 41.0(3) . . ?
C1 Fe1 C4 67.5(4) . . ?
C9 Fe1 C4 109.1(3) . . ?
C3 Fe1 C4 39.7(3) . . ?
C2 Fe1 C4 65.7(3) . . ?
C6 Fe1 C4 159.3(3) . . ?
C5 Fe1 C8 161.8(4) . . ?
C1 Fe1 C8 155.3(4) . . ?
C9 Fe1 C8 40.6(2) . . ?
C3 Fe1 C8 107.4(3) . . ?
C2 Fe1 C8 120.8(3) . . ?
C6 Fe1 C8 68.3(3) . . ?
C4 Fe1 C8 124.1(4) . . ?
C5 Fe1 C7 157.2(4) . . ?
C1 Fe1 C7 121.3(4) . . ?
C9 Fe1 C7 67.9(3) . . ?
C3 Fe1 C7 123.3(3) . . ?
C2 Fe1 C7 108.1(3) . . ?
C6 Fe1 C7 40.5(2) . . ?
C4 Fe1 C7 159.4(3) . . ?
C8 Fe1 C7 40.3(3) . . ?
C5 Fe1 C10 108.9(3) . . ?
C1 Fe1 C10 126.2(4) . . ?
C9 Fe1 C10 40.7(2) . . ?
C3 Fe1 C10 158.0(3) . . ?
C2 Fe1 C10 162.3(3) . . ?
C6 Fe1 C10 41.3(2) . . ?
C4 Fe1 C10 123.3(3) . . ?
C8 Fe1 C10 68.7(2) . . ?
C7 Fe1 C10 68.7(2) . . ?
O4 Cl2 O1 111.4(7) . . ?
O4 Cl2 O2 118.9(6) . . ?
O1 Cl2 O2 108.2(6) . . ?
O4 Cl2 O3 109.2(7) . . ?
O1 Cl2 O3 101.5(5) . . ?
O2 Cl2 O3 106.0(5) . . ?
C19 N1 C23 118.0(6) . . ?
C19 N1 Pt1 128.6(5) . . ?
C23 N1 Pt1 113.3(4) . . ?
C24 N2 C13 122.3(5) . . ?
C24 N2 Pt1 119.1(4) . . ?
C13 N2 Pt1 118.6(4) . . ?
C18 N3 C14 119.0(5) . . ?
C18 N3 Pt1 126.4(4) . . ?
C14 N3 Pt1 114.6(4) . . ?
C2 C1 C5 107.2(8) . . ?
C2 C1 Fe1 70.3(5) . . ?
C5 C1 Fe1 69.3(4) . . ?
C2 C1 H1 126.4 . . ?
C5 C1 H1 126.4 . . ?
Fe1 C1 H1 125.6 . . ?
C3 C2 C1 110.4(8) . . ?
C3 C2 Fe1 70.8(4) . . ?
C1 C2 Fe1 70.2(5) . . ?
C3 C2 H2 124.8 . . ?
C1 C2 H2 124.8 . . ?
Fe1 C2 H2 125.8 . . ?
C2 C3 C4 108.9(8) . . ?
C2 C3 Fe1 70.9(4) . . ?
C4 C3 Fe1 70.4(4) . . ?
C2 C3 H3 125.6 . . ?
C4 C3 H3 125.6 . . ?
Fe1 C3 H3 124.7 . . ?
C3 C4 C5 107.2(8) . . ?
C3 C4 Fe1 69.9(4) . . ?
C5 C4 Fe1 68.8(4) . . ?
C3 C4 H4 126.4 . . ?
C5 C4 H4 126.4 . . ?
Fe1 C4 H4 126.4 . . ?
C1 C5 C4 106.3(7) . . ?
C1 C5 Fe1 70.2(5) . . ?
C4 C5 Fe1 70.2(4) . . ?
C1 C5 H5 126.9 . . ?
C4 C5 H5 126.9 . . ?
Fe1 C5 H5 124.4 . . ?
C7 C6 C10 107.9(6) . . ?
C7 C6 Fe1 70.0(3) . . ?
C10 C6 Fe1 69.7(3) . . ?
C7 C6 H6 126.0 . . ?
C10 C6 H6 126.0 . . ?
Fe1 C6 H6 125.9 . . ?
C8 C7 C6 108.7(6) . . ?
C8 C7 Fe1 69.7(4) . . ?
C6 C7 Fe1 69.5(3) . . ?
C8 C7 H7 125.6 . . ?
C6 C7 H7 125.6 . . ?
Fe1 C7 H7 126.7 . . ?
C7 C8 C9 107.8(5) . . ?
C7 C8 Fe1 70.0(4) . . ?
C9 C8 Fe1 69.4(3) . . ?
C7 C8 H8 126.1 . . ?
C9 C8 H8 126.1 . . ?
Fe1 C8 H8 126.1 . . ?
C8 C9 C10 109.2(6) . . ?
C8 C9 Fe1 70.1(3) . . ?
C10 C9 Fe1 70.2(3) . . ?
C8 C9 H9 125.4 . . ?
C10 C9 H9 125.4 . . ?
Fe1 C9 H9 125.9 . . ?
C9 C10 C6 106.4(5) . . ?
C9 C10 C11 127.4(5) . . ?
C6 C10 C11 126.2(5) . . ?
C9 C10 Fe1 69.1(3) . . ?
C6 C10 Fe1 69.0(3) . . ?
C11 C10 Fe1 125.6(4) . . ?
C25 C11 C12 118.1(5) . . ?
C25 C11 C10 121.4(5) . . ?
C12 C11 C10 120.4(5) . . ?
C13 C12 C11 120.3(5) . . ?
C13 C12 H12 119.9 . . ?
C11 C12 H12 119.9 . . ?
N2 C13 C12 119.2(5) . . ?
N2 C13 C14 112.6(5) . . ?
C12 C13 C14 128.2(5) . . ?
C15 C14 N3 122.1(5) . . ?
C15 C14 C13 124.6(5) . . ?
N3 C14 C13 113.3(5) . . ?
C14 C15 C16 118.6(6) . . ?
C14 C15 H15 120.7 . . ?
C16 C15 H15 120.7 . . ?
C17 C16 C15 119.3(7) . . ?
C17 C16 H16 120.3 . . ?
C15 C16 H16 120.3 . . ?
C18 C17 C16 120.7(6) . . ?
C18 C17 H17 119.6 . . ?
C16 C17 H17 119.6 . . ?
N3 C18 C17 120.1(6) . . ?
N3 C18 H18 119.9 . . ?
C17 C18 H18 119.9 . . ?
C20 C19 N1 121.6(6) . . ?
C20 C19 H19 119.2 . . ?
N1 C19 H19 119.2 . . ?
C21 C20 C19 120.7(6) . . ?
C21 C20 H20 119.6 . . ?
C19 C20 H20 119.6 . . ?
C20 C21 C22 119.3(7) . . ?
C20 C21 H21 120.4 . . ?
C22 C21 H21 120.4 . . ?
C23 C22 C21 119.0(6) . . ?
C23 C22 H22 120.5 . . ?
C21 C22 H22 120.5 . . ?
C22 C23 N1 121.3(5) . . ?
C22 C23 C24 124.0(5) . . ?
N1 C23 C24 114.7(5) . . ?
N2 C24 C25 119.8(5) . . ?
N2 C24 C23 112.0(5) . . ?
C25 C24 C23 128.2(5) . . ?
C24 C25 C11 120.4(5) . . ?
C24 C25 H25 119.8 . . ?
C11 C25 H25 119.8 . . ?
C27 C26 H26A 109.5 . . ?
C27 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C27 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
O5 C27 C28 122.1(8) . . ?
O5 C27 C26 119.3(8) . . ?
C28 C27 C26 118.5(7) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.973
_diffrn_reflns_theta_full        30.62
_diffrn_measured_fraction_theta_full 0.973
_refine_diff_density_max         0.946
_refine_diff_density_min         -0.868
_refine_diff_density_rms         0.138
_database_code_depnum_ccdc_archive 'CCDC 920960'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_arc_3
#TrackingRef '3-CIF.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C23 H23 Cl2 Fe N3 O2 Pt'
_chemical_formula_sum            'C23 H23 Cl2 Fe N3 O2 Pt'
_chemical_formula_weight         695.28

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 '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'
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                   8.4489(3)
_cell_length_b                   16.5732(6)
_cell_length_c                   18.2765(7)
_cell_angle_alpha                68.997(2)
_cell_angle_beta                 89.193(2)
_cell_angle_gamma                81.238(2)
_cell_volume                     2358.99(15)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       needle
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.958
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1344
_exptl_absorpt_coefficient_mu    6.791
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.1720
_exptl_absorpt_correction_T_max  0.3437
_exptl_absorpt_process_details   SADABS(Sheldrick,1997)

_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  'Bruker Smart CCD Area Detector'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            49452
_diffrn_reflns_av_R_equivalents  0.0424
_diffrn_reflns_av_sigmaI/netI    0.0588
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         1.33
_diffrn_reflns_theta_max         30.57
_reflns_number_total             14148
_reflns_number_gt                9546
_reflns_threshold_expression     >2\s(I)

_computing_data_collection       'Bruker Smart'
_computing_cell_refinement       'Bruker Smart'
_computing_data_reduction        'Bruker Saint'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

_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^ > 2\s(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^)+(0.0333P)^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    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         14148
_refine_ls_number_parameters     574
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0688
_refine_ls_R_factor_gt           0.0355
_refine_ls_wR_factor_ref         0.0785
_refine_ls_wR_factor_gt          0.0681
_refine_ls_goodness_of_fit_ref   0.986
_refine_ls_restrained_S_all      0.986
_refine_ls_shift/su_max          0.004
_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 0.778584(17) 0.202378(11) 0.686801(10) 0.03529(5) Uani 1 1 d . . .
Pt2 Pt 0.720263(17) -0.211507(10) 1.017631(10) 0.03266(5) Uani 1 1 d . . .
Fe1 Fe 0.65019(8) 0.41064(5) 0.40100(4) 0.04867(17) Uani 1 1 d . . .
Fe2 Fe 0.84200(8) -0.40129(4) 0.84848(4) 0.04564(17) Uani 1 1 d . . .
Cl1 Cl 0.74559(14) 0.26128(9) 0.78276(8) 0.0557(3) Uani 1 1 d . . .
Cl2 Cl 0.76986(14) -0.27776(8) 1.15106(7) 0.0526(3) Uani 1 1 d . . .
Cl3 Cl 1.05756(17) -0.09610(10) 0.72628(10) 0.0757(4) Uani 1 1 d . . .
Cl4 Cl 0.5000 0.0000 1.0000 0.0708(6) Uani 1 2 d S . .
N1 N 0.5866(4) 0.1407(2) 0.7113(2) 0.0404(9) Uani 1 1 d . . .
N2 N 0.7989(4) 0.1565(2) 0.5979(2) 0.0387(8) Uani 1 1 d . . .
N3 N 0.9852(4) 0.2460(2) 0.6494(2) 0.0425(9) Uani 1 1 d . . .
N4 N 0.5145(4) -0.2579(2) 1.0133(2) 0.0377(8) Uani 1 1 d . . .
N5 N 0.6845(4) -0.1584(2) 0.8997(2) 0.0344(8) Uani 1 1 d . . .
N6 N 0.9067(4) -0.1457(2) 0.9958(2) 0.0352(8) Uani 1 1 d . . .
O1 O 0.1051(9) 0.1429(5) 0.4050(4) 0.189(3) Uani 1 1 d . . .
O2 O 0.4418(5) 0.0925(3) 0.4612(3) 0.1012(16) Uani 1 1 d . . .
O3 O 0.2007(14) -0.0375(7) 0.5448(6) 0.303(6) Uani 1 1 d . . .
O4 O 1.4111(8) -0.1717(4) 0.7013(4) 0.175(3) Uani 1 1 d . . .
C1 C 0.4737(7) 0.3702(4) 0.3563(4) 0.0770(18) Uani 1 1 d . . .
H1 H 0.4435 0.3151 0.3779 0.092 Uiso 1 1 calc R . .
C2 C 0.5889(8) 0.3930(5) 0.3019(4) 0.0770(18) Uani 1 1 d . . .
H2 H 0.6483 0.3556 0.2804 0.092 Uiso 1 1 calc R . .
C3 C 0.6027(7) 0.4796(5) 0.2843(3) 0.0758(17) Uani 1 1 d . . .
H3 H 0.6729 0.5107 0.2497 0.091 Uiso 1 1 calc R . .
C4 C 0.4918(9) 0.5120(4) 0.3282(4) 0.086(2) Uani 1 1 d . . .
H4 H 0.4743 0.5689 0.3279 0.103 Uiso 1 1 calc R . .
C5 C 0.4104(7) 0.4433(5) 0.3732(4) 0.084(2) Uani 1 1 d . . .
H5 H 0.3298 0.4466 0.4077 0.101 Uiso 1 1 calc R . .
C6 C 0.8660(5) 0.3355(3) 0.4360(3) 0.0495(12) Uani 1 1 d . . .
H6 H 0.9231 0.3023 0.4099 0.059 Uiso 1 1 calc R . .
C7 C 0.8766(6) 0.4226(4) 0.4250(3) 0.0636(15) Uani 1 1 d . . .
H7 H 0.9419 0.4573 0.3901 0.076 Uiso 1 1 calc R . .
C8 C 0.7714(7) 0.4488(3) 0.4756(3) 0.0657(15) Uani 1 1 d . . .
H8 H 0.7559 0.5036 0.4801 0.079 Uiso 1 1 calc R . .
C9 C 0.6939(6) 0.3781(3) 0.5181(3) 0.0492(12) Uani 1 1 d . . .
H9 H 0.6176 0.3778 0.5554 0.059 Uiso 1 1 calc R . .
C10 C 0.7533(5) 0.3069(3) 0.4940(3) 0.0398(10) Uani 1 1 d . . .
C11 C 0.7060(5) 0.2190(3) 0.5238(3) 0.0440(11) Uani 1 1 d . . .
H11A H 0.7212 0.1938 0.4833 0.053 Uiso 1 1 calc R . .
H11B H 0.5928 0.2249 0.5342 0.053 Uiso 1 1 calc R . .
C12 C 0.9742(5) 0.1430(3) 0.5837(3) 0.0484(12) Uani 1 1 d . . .
H12A H 0.9888 0.1465 0.5299 0.058 Uiso 1 1 calc R . .
H12B H 1.0236 0.0852 0.6182 0.058 Uiso 1 1 calc R . .
C13 C 1.0532(5) 0.2111(3) 0.5983(3) 0.0460(11) Uani 1 1 d . . .
C14 C 1.1943(5) 0.2353(3) 0.5627(3) 0.0592(14) Uani 1 1 d . . .
H14 H 1.2404 0.2119 0.5267 0.071 Uiso 1 1 calc R . .
C15 C 1.2625(6) 0.2949(4) 0.5826(4) 0.0654(16) Uani 1 1 d . . .
H15 H 1.3567 0.3126 0.5599 0.078 Uiso 1 1 calc R . .
C16 C 1.1928(6) 0.3285(3) 0.6354(4) 0.0612(15) Uani 1 1 d . . .
H16 H 1.2410 0.3681 0.6495 0.073 Uiso 1 1 calc R . .
C17 C 1.0528(5) 0.3045(3) 0.6679(3) 0.0478(12) Uani 1 1 d . . .
H17 H 1.0045 0.3287 0.7030 0.057 Uiso 1 1 calc R . .
C18 C 0.7274(5) 0.0734(3) 0.6265(3) 0.0483(12) Uani 1 1 d . . .
H18A H 0.6967 0.0594 0.5820 0.058 Uiso 1 1 calc R . .
H18B H 0.8064 0.0255 0.6591 0.058 Uiso 1 1 calc R . .
C19 C 0.5837(5) 0.0841(3) 0.6727(3) 0.0424(11) Uani 1 1 d . . .
C20 C 0.4587(6) 0.0378(3) 0.6815(3) 0.0533(13) Uani 1 1 d . . .
H20 H 0.4553 -0.0005 0.6549 0.064 Uiso 1 1 calc R . .
C21 C 0.3379(6) 0.0488(4) 0.7307(4) 0.0664(17) Uani 1 1 d . . .
H21 H 0.2528 0.0176 0.7374 0.080 Uiso 1 1 calc R . .
C22 C 0.3430(6) 0.1048(3) 0.7688(3) 0.0577(14) Uani 1 1 d . . .
H22 H 0.2612 0.1125 0.8014 0.069 Uiso 1 1 calc R . .
C23 C 0.4673(5) 0.1494(3) 0.7593(3) 0.0449(11) Uani 1 1 d . . .
H23 H 0.4711 0.1870 0.7865 0.054 Uiso 1 1 calc R . .
C24 C 0.9051(7) -0.3732(4) 0.7354(3) 0.0711(17) Uani 1 1 d . . .
H24 H 0.8444 -0.3351 0.6910 0.085 Uiso 1 1 calc R . .
C25 C 0.8997(7) -0.4634(4) 0.7714(4) 0.0700(16) Uani 1 1 d . . .
H25 H 0.8343 -0.4953 0.7560 0.084 Uiso 1 1 calc R . .
C26 C 1.0104(7) -0.4953(4) 0.8342(4) 0.0796(19) Uani 1 1 d . . .
H26 H 1.0330 -0.5532 0.8682 0.096 Uiso 1 1 calc R . .
C27 C 1.0839(6) -0.4253(5) 0.8387(4) 0.0767(19) Uani 1 1 d . . .
H27 H 1.1619 -0.4292 0.8757 0.092 Uiso 1 1 calc R . .
C28 C 1.0179(6) -0.3504(4) 0.7776(4) 0.0682(16) Uani 1 1 d . . .
H28 H 1.0434 -0.2946 0.7664 0.082 Uiso 1 1 calc R . .
C29 C 0.6202(5) -0.3314(3) 0.8428(3) 0.0495(12) Uani 1 1 d . . .
H29 H 0.5600 -0.2964 0.7972 0.059 Uiso 1 1 calc R . .
C30 C 0.6158(6) -0.4206(3) 0.8837(4) 0.0607(15) Uani 1 1 d . . .
H30 H 0.5522 -0.4545 0.8701 0.073 Uiso 1 1 calc R . .
C31 C 0.7237(7) -0.4497(3) 0.9489(3) 0.0613(14) Uani 1 1 d . . .
H31 H 0.7442 -0.5063 0.9857 0.074 Uiso 1 1 calc R . .
C32 C 0.7963(6) -0.3783(3) 0.9491(3) 0.0487(12) Uani 1 1 d . . .
H32 H 0.8724 -0.3799 0.9861 0.058 Uiso 1 1 calc R . .
C33 C 0.7324(5) -0.3031(3) 0.8826(3) 0.0378(10) Uani 1 1 d . . .
C34 C 0.7754(5) -0.2145(3) 0.8582(3) 0.0382(10) Uani 1 1 d . . .
H34A H 0.7542 -0.1854 0.8021 0.046 Uiso 1 1 calc R . .
H34B H 0.8894 -0.2194 0.8686 0.046 Uiso 1 1 calc R . .
C35 C 0.7459(5) -0.0736(3) 0.8751(3) 0.0375(10) Uani 1 1 d . . .
H35A H 0.6661 -0.0293 0.8833 0.045 Uiso 1 1 calc R . .
H35B H 0.7678 -0.0545 0.8198 0.045 Uiso 1 1 calc R . .
C36 C 0.8969(4) -0.0852(3) 0.9227(3) 0.0346(10) Uani 1 1 d . . .
C37 C 1.0151(5) -0.0331(3) 0.8965(3) 0.0456(11) Uani 1 1 d . . .
H37 H 1.0072 0.0085 0.8459 0.055 Uiso 1 1 calc R . .
C38 C 1.1438(5) -0.0432(3) 0.9457(3) 0.0491(13) Uani 1 1 d . . .
H38 H 1.2235 -0.0084 0.9291 0.059 Uiso 1 1 calc R . .
C39 C 1.1532(5) -0.1063(3) 1.0209(3) 0.0476(12) Uani 1 1 d . . .
H39 H 1.2393 -0.1143 1.0552 0.057 Uiso 1 1 calc R . .
C40 C 1.0336(4) -0.1567(3) 1.0437(3) 0.0404(11) Uani 1 1 d . . .
H40 H 1.0406 -0.1995 1.0937 0.049 Uiso 1 1 calc R . .
C41 C 0.5074(4) -0.1468(3) 0.8838(3) 0.0414(11) Uani 1 1 d . . .
H41A H 0.4867 -0.1453 0.8312 0.050 Uiso 1 1 calc R . .
H41B H 0.4567 -0.0917 0.8870 0.050 Uiso 1 1 calc R . .
C42 C 0.4376(4) -0.2211(3) 0.9425(3) 0.0397(11) Uani 1 1 d . . .
C43 C 0.2981(5) -0.2474(3) 0.9271(3) 0.0493(13) Uani 1 1 d . . .
H43 H 0.2482 -0.2232 0.8773 0.059 Uiso 1 1 calc R . .
C44 C 0.2343(5) -0.3100(3) 0.9866(4) 0.0561(15) Uani 1 1 d . . .
H44 H 0.1393 -0.3277 0.9778 0.067 Uiso 1 1 calc R . .
C45 C 0.3105(6) -0.3453(3) 1.0577(4) 0.0559(14) Uani 1 1 d . . .
H45 H 0.2674 -0.3870 1.0984 0.067 Uiso 1 1 calc R . .
C46 C 0.4532(5) -0.3196(3) 1.0703(3) 0.0479(12) Uani 1 1 d . . .
H46 H 0.5069 -0.3457 1.1191 0.057 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 0.03905(9) 0.03616(10) 0.02965(11) -0.01060(8) 0.00125(7) -0.00601(7)
Pt2 0.03549(8) 0.03266(10) 0.03130(10) -0.01301(8) 0.00185(7) -0.00611(6)
Fe1 0.0615(4) 0.0481(4) 0.0319(4) -0.0124(3) -0.0015(3) 0.0002(3)
Fe2 0.0562(4) 0.0434(4) 0.0398(4) -0.0198(3) 0.0026(3) -0.0032(3)
Cl1 0.0609(7) 0.0734(9) 0.0420(8) -0.0313(7) 0.0023(6) -0.0127(6)
Cl2 0.0618(7) 0.0604(8) 0.0321(7) -0.0124(6) -0.0007(5) -0.0095(6)
Cl3 0.0812(9) 0.0666(10) 0.0795(12) -0.0222(9) 0.0108(8) -0.0236(7)
Cl4 0.0413(8) 0.0929(15) 0.1088(19) -0.0699(15) 0.0089(10) -0.0191(9)
N1 0.049(2) 0.034(2) 0.034(2) -0.0070(18) 0.0005(17) -0.0075(16)
N2 0.0477(19) 0.035(2) 0.034(2) -0.0138(18) 0.0048(17) -0.0053(15)
N3 0.0390(18) 0.043(2) 0.038(2) -0.0068(19) 0.0002(17) -0.0043(16)
N4 0.0377(17) 0.038(2) 0.040(2) -0.0153(19) 0.0074(16) -0.0094(15)
N5 0.0365(16) 0.0321(19) 0.035(2) -0.0127(17) 0.0012(15) -0.0064(14)
N6 0.0358(16) 0.036(2) 0.038(2) -0.0171(18) 0.0002(16) -0.0069(14)
O1 0.232(8) 0.216(8) 0.140(7) -0.108(6) -0.001(5) 0.016(6)
O2 0.081(3) 0.192(5) 0.081(3) -0.099(4) 0.015(2) -0.048(3)
O3 0.465(15) 0.309(13) 0.223(11) -0.183(10) 0.163(11) -0.118(11)
O4 0.206(7) 0.112(5) 0.177(7) -0.032(5) -0.045(5) 0.022(4)
C1 0.072(4) 0.082(5) 0.069(5) -0.019(4) -0.021(3) -0.010(3)
C2 0.087(4) 0.092(5) 0.054(4) -0.037(4) -0.018(3) 0.008(4)
C3 0.090(4) 0.082(5) 0.040(4) -0.009(3) -0.003(3) -0.002(4)
C4 0.105(5) 0.065(4) 0.070(5) -0.016(4) -0.036(4) 0.022(4)
C5 0.065(4) 0.126(6) 0.056(4) -0.036(5) -0.005(3) 0.011(4)
C6 0.052(3) 0.047(3) 0.042(3) -0.010(3) 0.004(2) -0.004(2)
C7 0.068(3) 0.070(4) 0.043(4) -0.006(3) 0.004(3) -0.021(3)
C8 0.098(4) 0.047(3) 0.052(4) -0.014(3) -0.009(3) -0.017(3)
C9 0.071(3) 0.048(3) 0.027(3) -0.012(2) 0.002(2) -0.010(2)
C10 0.049(2) 0.036(3) 0.032(3) -0.012(2) 0.000(2) -0.0023(19)
C11 0.054(2) 0.046(3) 0.035(3) -0.021(2) -0.002(2) -0.002(2)
C12 0.050(2) 0.046(3) 0.044(3) -0.016(2) 0.008(2) 0.005(2)
C13 0.043(2) 0.044(3) 0.043(3) -0.007(2) 0.004(2) -0.002(2)
C14 0.045(3) 0.064(4) 0.052(4) -0.004(3) 0.007(2) -0.002(2)
C15 0.046(3) 0.066(4) 0.066(4) 0.000(3) 0.008(3) -0.013(3)
C16 0.056(3) 0.055(3) 0.064(4) -0.005(3) -0.013(3) -0.020(2)
C17 0.047(2) 0.050(3) 0.047(3) -0.015(3) -0.002(2) -0.016(2)
C18 0.065(3) 0.036(3) 0.046(3) -0.016(2) 0.002(2) -0.008(2)
C19 0.052(2) 0.032(2) 0.038(3) -0.004(2) 0.001(2) -0.0100(19)
C20 0.069(3) 0.041(3) 0.047(3) -0.006(3) -0.004(3) -0.021(2)
C21 0.062(3) 0.052(3) 0.072(5) 0.001(3) -0.001(3) -0.027(3)
C22 0.051(3) 0.049(3) 0.062(4) -0.004(3) 0.012(3) -0.016(2)
C23 0.047(2) 0.046(3) 0.038(3) -0.010(2) 0.008(2) -0.008(2)
C24 0.079(4) 0.091(5) 0.039(3) -0.024(4) 0.012(3) -0.001(3)
C25 0.087(4) 0.076(4) 0.061(4) -0.043(4) 0.015(3) -0.010(3)
C26 0.097(4) 0.062(4) 0.070(5) -0.026(4) 0.016(4) 0.022(3)
C27 0.058(3) 0.112(6) 0.068(5) -0.048(4) -0.006(3) 0.004(3)
C28 0.065(3) 0.077(4) 0.069(4) -0.032(4) 0.024(3) -0.016(3)
C29 0.047(2) 0.054(3) 0.059(4) -0.034(3) 0.001(2) -0.007(2)
C30 0.072(3) 0.058(4) 0.072(4) -0.041(3) 0.021(3) -0.026(3)
C31 0.099(4) 0.038(3) 0.049(4) -0.017(3) 0.019(3) -0.013(3)
C32 0.064(3) 0.049(3) 0.039(3) -0.023(3) 0.004(2) -0.009(2)
C33 0.045(2) 0.039(3) 0.032(3) -0.016(2) 0.0059(19) -0.0055(18)
C34 0.043(2) 0.039(3) 0.035(3) -0.014(2) 0.0076(19) -0.0125(18)
C35 0.043(2) 0.031(2) 0.035(3) -0.008(2) -0.0014(19) -0.0064(17)
C36 0.0368(19) 0.035(2) 0.038(3) -0.019(2) 0.0064(19) -0.0076(17)
C37 0.052(2) 0.042(3) 0.047(3) -0.019(2) 0.011(2) -0.014(2)
C38 0.038(2) 0.056(3) 0.068(4) -0.036(3) 0.016(2) -0.016(2)
C39 0.041(2) 0.054(3) 0.060(4) -0.033(3) 0.001(2) -0.010(2)
C40 0.039(2) 0.042(3) 0.044(3) -0.020(2) -0.003(2) -0.0020(18)
C41 0.040(2) 0.039(3) 0.043(3) -0.013(2) -0.004(2) -0.0051(18)
C42 0.0342(19) 0.035(2) 0.051(3) -0.018(2) 0.004(2) -0.0014(17)
C43 0.041(2) 0.048(3) 0.066(4) -0.029(3) -0.003(2) -0.010(2)
C44 0.040(2) 0.056(3) 0.088(5) -0.042(3) 0.008(3) -0.016(2)
C45 0.055(3) 0.043(3) 0.080(5) -0.028(3) 0.028(3) -0.024(2)
C46 0.053(3) 0.044(3) 0.051(3) -0.019(3) 0.014(2) -0.016(2)

_geom_special_details            
;
All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell s.u.'s are taken
into account individually in the estimation of s.u.'s in distances, angles
and torsion angles; correlations between s.u.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell s.u.'s is used for estimating s.u.'s 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 2.008(4) . ?
Pt1 N3 2.008(3) . ?
Pt1 N2 2.021(3) . ?
Pt1 Cl1 2.2885(12) . ?
Pt2 N6 2.007(3) . ?
Pt2 N4 2.019(3) . ?
Pt2 N5 2.022(4) . ?
Pt2 Cl2 2.3015(12) . ?
Fe1 C6 2.014(4) . ?
Fe1 C1 2.018(6) . ?
Fe1 C2 2.021(6) . ?
Fe1 C7 2.023(5) . ?
Fe1 C10 2.023(4) . ?
Fe1 C9 2.036(5) . ?
Fe1 C4 2.036(5) . ?
Fe1 C5 2.038(6) . ?
Fe1 C3 2.038(6) . ?
Fe1 C8 2.041(5) . ?
Fe2 C32 2.028(5) . ?
Fe2 C29 2.030(4) . ?
Fe2 C26 2.030(5) . ?
Fe2 C24 2.032(6) . ?
Fe2 C28 2.035(6) . ?
Fe2 C31 2.036(5) . ?
Fe2 C33 2.036(4) . ?
Fe2 C25 2.037(5) . ?
Fe2 C27 2.040(5) . ?
Fe2 C30 2.043(5) . ?
N1 C23 1.352(5) . ?
N1 C19 1.364(6) . ?
N2 C12 1.497(5) . ?
N2 C18 1.504(5) . ?
N2 C11 1.517(5) . ?
N3 C17 1.338(5) . ?
N3 C13 1.345(6) . ?
N4 C46 1.335(6) . ?
N4 C42 1.344(5) . ?
N5 C35 1.487(5) . ?
N5 C41 1.498(5) . ?
N5 C34 1.517(5) . ?
N6 C40 1.342(5) . ?
N6 C36 1.347(5) . ?
C1 C2 1.375(8) . ?
C1 C5 1.385(8) . ?
C1 H1 0.9300 . ?
C2 C3 1.378(8) . ?
C2 H2 0.9300 . ?
C3 C4 1.394(8) . ?
C3 H3 0.9300 . ?
C4 C5 1.413(9) . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
C6 C7 1.401(7) . ?
C6 C10 1.415(6) . ?
C6 H6 0.9300 . ?
C7 C8 1.408(7) . ?
C7 H7 0.9300 . ?
C8 C9 1.405(7) . ?
C8 H8 0.9300 . ?
C9 C10 1.424(6) . ?
C9 H9 0.9300 . ?
C10 C11 1.477(6) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C13 1.498(6) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.394(6) . ?
C14 C15 1.370(7) . ?
C14 H14 0.9300 . ?
C15 C16 1.364(8) . ?
C15 H15 0.9300 . ?
C16 C17 1.366(7) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C18 C19 1.494(6) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C20 1.373(6) . ?
C20 C21 1.385(8) . ?
C20 H20 0.9300 . ?
C21 C22 1.350(8) . ?
C21 H21 0.9300 . ?
C22 C23 1.349(6) . ?
C22 H22 0.9300 . ?
C23 H23 0.9300 . ?
C24 C25 1.408(8) . ?
C24 C28 1.410(8) . ?
C24 H24 0.9300 . ?
C25 C26 1.385(8) . ?
C25 H25 0.9300 . ?
C26 C27 1.423(8) . ?
C26 H26 0.9300 . ?
C27 C28 1.383(8) . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
C29 C30 1.403(7) . ?
C29 C33 1.431(6) . ?
C29 H29 0.9300 . ?
C30 C31 1.402(7) . ?
C30 H30 0.9300 . ?
C31 C32 1.415(6) . ?
C31 H31 0.9300 . ?
C32 C33 1.431(6) . ?
C32 H32 0.9300 . ?
C33 C34 1.476(6) . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C35 C36 1.502(5) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C36 C37 1.388(6) . ?
C37 C38 1.373(6) . ?
C37 H37 0.9300 . ?
C38 C39 1.391(7) . ?
C38 H38 0.9300 . ?
C39 C40 1.374(6) . ?
C39 H39 0.9300 . ?
C40 H40 0.9300 . ?
C41 C42 1.507(6) . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C42 C43 1.383(5) . ?
C43 C44 1.377(7) . ?
C43 H43 0.9300 . ?
C44 C45 1.344(7) . ?
C44 H44 0.9300 . ?
C45 C46 1.387(6) . ?
C45 H45 0.9300 . ?
C46 H46 0.9300 . ?

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 167.27(16) . . ?
N1 Pt1 N2 83.73(15) . . ?
N3 Pt1 N2 84.33(15) . . ?
N1 Pt1 Cl1 96.06(11) . . ?
N3 Pt1 Cl1 96.12(12) . . ?
N2 Pt1 Cl1 176.67(10) . . ?
N6 Pt2 N4 166.16(15) . . ?
N6 Pt2 N5 83.06(14) . . ?
N4 Pt2 N5 83.74(14) . . ?
N6 Pt2 Cl2 96.76(11) . . ?
N4 Pt2 Cl2 96.63(11) . . ?
N5 Pt2 Cl2 177.06(9) . . ?
C6 Fe1 C1 121.7(2) . . ?
C6 Fe1 C2 104.7(2) . . ?
C1 Fe1 C2 39.8(2) . . ?
C6 Fe1 C7 40.63(19) . . ?
C1 Fe1 C7 157.8(3) . . ?
C2 Fe1 C7 122.1(3) . . ?
C6 Fe1 C10 41.04(18) . . ?
C1 Fe1 C10 106.8(2) . . ?
C2 Fe1 C10 119.7(2) . . ?
C7 Fe1 C10 68.6(2) . . ?
C6 Fe1 C9 68.9(2) . . ?
C1 Fe1 C9 123.4(3) . . ?
C2 Fe1 C9 156.8(3) . . ?
C7 Fe1 C9 68.4(2) . . ?
C10 Fe1 C9 41.06(17) . . ?
C6 Fe1 C4 155.5(3) . . ?
C1 Fe1 C4 67.3(3) . . ?
C2 Fe1 C4 66.7(3) . . ?
C7 Fe1 C4 122.9(3) . . ?
C10 Fe1 C4 163.3(3) . . ?
C9 Fe1 C4 127.9(2) . . ?
C6 Fe1 C5 159.3(3) . . ?
C1 Fe1 C5 39.9(2) . . ?
C2 Fe1 C5 66.9(3) . . ?
C7 Fe1 C5 159.9(3) . . ?
C10 Fe1 C5 125.0(3) . . ?
C9 Fe1 C5 110.9(2) . . ?
C4 Fe1 C5 40.6(3) . . ?
C6 Fe1 C3 118.7(2) . . ?
C1 Fe1 C3 67.4(3) . . ?
C2 Fe1 C3 39.7(2) . . ?
C7 Fe1 C3 106.7(2) . . ?
C10 Fe1 C3 154.0(2) . . ?
C9 Fe1 C3 163.0(2) . . ?
C4 Fe1 C3 40.0(2) . . ?
C5 Fe1 C3 67.8(3) . . ?
C6 Fe1 C8 68.4(2) . . ?
C1 Fe1 C8 159.9(3) . . ?
C2 Fe1 C8 159.8(3) . . ?
C7 Fe1 C8 40.5(2) . . ?
C10 Fe1 C8 68.36(19) . . ?
C9 Fe1 C8 40.32(19) . . ?
C4 Fe1 C8 111.4(2) . . ?
C5 Fe1 C8 125.8(3) . . ?
C3 Fe1 C8 125.6(3) . . ?
C32 Fe2 C29 68.67(19) . . ?
C32 Fe2 C26 126.9(2) . . ?
C29 Fe2 C26 156.9(2) . . ?
C32 Fe2 C24 156.4(2) . . ?
C29 Fe2 C24 105.5(2) . . ?
C26 Fe2 C24 67.0(2) . . ?
C32 Fe2 C28 121.7(2) . . ?
C29 Fe2 C28 122.0(2) . . ?
C26 Fe2 C28 67.5(3) . . ?
C24 Fe2 C28 40.6(2) . . ?
C32 Fe2 C31 40.75(18) . . ?
C29 Fe2 C31 68.0(2) . . ?
C26 Fe2 C31 111.2(2) . . ?
C24 Fe2 C31 160.1(2) . . ?
C28 Fe2 C31 158.8(2) . . ?
C32 Fe2 C33 41.24(17) . . ?
C29 Fe2 C33 41.21(16) . . ?
C26 Fe2 C33 161.7(2) . . ?
C24 Fe2 C33 119.4(2) . . ?
C28 Fe2 C33 105.4(2) . . ?
C31 Fe2 C33 68.98(19) . . ?
C32 Fe2 C25 162.2(2) . . ?
C29 Fe2 C25 120.3(2) . . ?
C26 Fe2 C25 39.8(2) . . ?
C24 Fe2 C25 40.5(2) . . ?
C28 Fe2 C25 68.4(2) . . ?
C31 Fe2 C25 125.2(2) . . ?
C33 Fe2 C25 155.3(2) . . ?
C32 Fe2 C27 109.2(2) . . ?
C29 Fe2 C27 158.6(2) . . ?
C26 Fe2 C27 40.9(2) . . ?
C24 Fe2 C27 67.4(2) . . ?
C28 Fe2 C27 39.7(2) . . ?
C31 Fe2 C27 125.2(3) . . ?
C33 Fe2 C27 123.0(2) . . ?
C25 Fe2 C27 68.3(2) . . ?
C32 Fe2 C30 68.3(2) . . ?
C29 Fe2 C30 40.30(19) . . ?
C26 Fe2 C30 123.9(3) . . ?
C24 Fe2 C30 122.9(2) . . ?
C28 Fe2 C30 158.6(3) . . ?
C31 Fe2 C30 40.2(2) . . ?
C33 Fe2 C30 68.83(18) . . ?
C25 Fe2 C30 107.7(2) . . ?
C27 Fe2 C30 160.4(3) . . ?
C23 N1 C19 119.5(4) . . ?
C23 N1 Pt1 128.2(3) . . ?
C19 N1 Pt1 112.3(3) . . ?
C12 N2 C18 113.9(3) . . ?
C12 N2 C11 110.5(3) . . ?
C18 N2 C11 108.4(3) . . ?
C12 N2 Pt1 106.1(3) . . ?
C18 N2 Pt1 105.3(3) . . ?
C11 N2 Pt1 112.5(2) . . ?
C17 N3 C13 120.5(4) . . ?
C17 N3 Pt1 127.6(3) . . ?
C13 N3 Pt1 111.8(3) . . ?
C46 N4 C42 119.4(4) . . ?
C46 N4 Pt2 127.8(3) . . ?
C42 N4 Pt2 112.7(3) . . ?
C35 N5 C41 112.5(3) . . ?
C35 N5 C34 108.6(3) . . ?
C41 N5 C34 111.0(3) . . ?
C35 N5 Pt2 105.7(2) . . ?
C41 N5 Pt2 106.2(3) . . ?
C34 N5 Pt2 112.8(2) . . ?
C40 N6 C36 119.7(4) . . ?
C40 N6 Pt2 127.9(3) . . ?
C36 N6 Pt2 112.3(2) . . ?
C2 C1 C5 108.3(6) . . ?
C2 C1 Fe1 70.2(3) . . ?
C5 C1 Fe1 70.8(4) . . ?
C2 C1 H1 125.8 . . ?
C5 C1 H1 125.8 . . ?
Fe1 C1 H1 124.8 . . ?
C1 C2 C3 109.6(6) . . ?
C1 C2 Fe1 70.0(4) . . ?
C3 C2 Fe1 70.8(3) . . ?
C1 C2 H2 125.2 . . ?
C3 C2 H2 125.2 . . ?
Fe1 C2 H2 125.6 . . ?
C2 C3 C4 107.1(6) . . ?
C2 C3 Fe1 69.5(4) . . ?
C4 C3 Fe1 69.9(3) . . ?
C2 C3 H3 126.5 . . ?
C4 C3 H3 126.5 . . ?
Fe1 C3 H3 125.7 . . ?
C3 C4 C5 108.1(6) . . ?
C3 C4 Fe1 70.0(3) . . ?
C5 C4 Fe1 69.8(3) . . ?
C3 C4 H4 125.9 . . ?
C5 C4 H4 125.9 . . ?
Fe1 C4 H4 125.8 . . ?
C1 C5 C4 106.9(6) . . ?
C1 C5 Fe1 69.3(3) . . ?
C4 C5 Fe1 69.7(3) . . ?
C1 C5 H5 126.5 . . ?
C4 C5 H5 126.5 . . ?
Fe1 C5 H5 126.1 . . ?
C7 C6 C10 108.0(4) . . ?
C7 C6 Fe1 70.0(3) . . ?
C10 C6 Fe1 69.8(2) . . ?
C7 C6 H6 126.0 . . ?
C10 C6 H6 126.0 . . ?
Fe1 C6 H6 125.7 . . ?
C6 C7 C8 108.4(5) . . ?
C6 C7 Fe1 69.3(3) . . ?
C8 C7 Fe1 70.4(3) . . ?
C6 C7 H7 125.8 . . ?
C8 C7 H7 125.8 . . ?
Fe1 C7 H7 126.0 . . ?
C9 C8 C7 108.3(5) . . ?
C9 C8 Fe1 69.7(3) . . ?
C7 C8 Fe1 69.0(3) . . ?
C9 C8 H8 125.8 . . ?
C7 C8 H8 125.8 . . ?
Fe1 C8 H8 127.0 . . ?
C8 C9 C10 107.7(5) . . ?
C8 C9 Fe1 70.0(3) . . ?
C10 C9 Fe1 69.0(3) . . ?
C8 C9 H9 126.2 . . ?
C10 C9 H9 126.2 . . ?
Fe1 C9 H9 126.4 . . ?
C6 C10 C9 107.6(4) . . ?
C6 C10 C11 126.1(4) . . ?
C9 C10 C11 126.3(4) . . ?
C6 C10 Fe1 69.1(3) . . ?
C9 C10 Fe1 69.9(3) . . ?
C11 C10 Fe1 126.3(3) . . ?
C10 C11 N2 114.0(3) . . ?
C10 C11 H11A 108.7 . . ?
N2 C11 H11A 108.7 . . ?
C10 C11 H11B 108.7 . . ?
N2 C11 H11B 108.7 . . ?
H11A C11 H11B 107.6 . . ?
N2 C12 C13 110.2(3) . . ?
N2 C12 H12A 109.6 . . ?
C13 C12 H12A 109.6 . . ?
N2 C12 H12B 109.6 . . ?
C13 C12 H12B 109.6 . . ?
H12A C12 H12B 108.1 . . ?
N3 C13 C14 121.2(5) . . ?
N3 C13 C12 117.2(4) . . ?
C14 C13 C12 121.6(5) . . ?
C15 C14 C13 117.6(5) . . ?
C15 C14 H14 121.2 . . ?
C13 C14 H14 121.2 . . ?
C16 C15 C14 120.3(5) . . ?
C16 C15 H15 119.9 . . ?
C14 C15 H15 119.9 . . ?
C15 C16 C17 120.4(5) . . ?
C15 C16 H16 119.8 . . ?
C17 C16 H16 119.8 . . ?
N3 C17 C16 120.0(5) . . ?
N3 C17 H17 120.0 . . ?
C16 C17 H17 120.0 . . ?
C19 C18 N2 110.0(3) . . ?
C19 C18 H18A 109.7 . . ?
N2 C18 H18A 109.7 . . ?
C19 C18 H18B 109.7 . . ?
N2 C18 H18B 109.7 . . ?
H18A C18 H18B 108.2 . . ?
N1 C19 C20 120.0(4) . . ?
N1 C19 C18 115.5(4) . . ?
C20 C19 C18 124.3(4) . . ?
C19 C20 C21 118.9(5) . . ?
C19 C20 H20 120.5 . . ?
C21 C20 H20 120.5 . . ?
C22 C21 C20 120.3(5) . . ?
C22 C21 H21 119.8 . . ?
C20 C21 H21 119.8 . . ?
C23 C22 C21 119.6(5) . . ?
C23 C22 H22 120.2 . . ?
C21 C22 H22 120.2 . . ?
C22 C23 N1 121.6(5) . . ?
C22 C23 H23 119.2 . . ?
N1 C23 H23 119.2 . . ?
C25 C24 C28 108.7(6) . . ?
C25 C24 Fe2 69.9(3) . . ?
C28 C24 Fe2 69.8(3) . . ?
C25 C24 H24 125.6 . . ?
C28 C24 H24 125.6 . . ?
Fe2 C24 H24 126.2 . . ?
C26 C25 C24 106.8(6) . . ?
C26 C25 Fe2 69.8(3) . . ?
C24 C25 Fe2 69.6(3) . . ?
C26 C25 H25 126.6 . . ?
C24 C25 H25 126.6 . . ?
Fe2 C25 H25 125.5 . . ?
C25 C26 C27 109.2(6) . . ?
C25 C26 Fe2 70.3(3) . . ?
C27 C26 Fe2 69.9(3) . . ?
C25 C26 H26 125.4 . . ?
C27 C26 H26 125.4 . . ?
Fe2 C26 H26 126.0 . . ?
C28 C27 C26 107.3(5) . . ?
C28 C27 Fe2 70.0(3) . . ?
C26 C27 Fe2 69.2(3) . . ?
C28 C27 H27 126.4 . . ?
C26 C27 H27 126.4 . . ?
Fe2 C27 H27 126.1 . . ?
C27 C28 C24 108.0(6) . . ?
C27 C28 Fe2 70.4(4) . . ?
C24 C28 Fe2 69.6(3) . . ?
C27 C28 H28 126.0 . . ?
C24 C28 H28 126.0 . . ?
Fe2 C28 H28 125.6 . . ?
C30 C29 C33 108.9(4) . . ?
C30 C29 Fe2 70.3(3) . . ?
C33 C29 Fe2 69.6(2) . . ?
C30 C29 H29 125.6 . . ?
C33 C29 H29 125.6 . . ?
Fe2 C29 H29 126.1 . . ?
C31 C30 C29 108.3(4) . . ?
C31 C30 Fe2 69.6(3) . . ?
C29 C30 Fe2 69.4(3) . . ?
C31 C30 H30 125.9 . . ?
C29 C30 H30 125.9 . . ?
Fe2 C30 H30 126.7 . . ?
C30 C31 C32 108.4(5) . . ?
C30 C31 Fe2 70.2(3) . . ?
C32 C31 Fe2 69.3(3) . . ?
C30 C31 H31 125.8 . . ?
C32 C31 H31 125.8 . . ?
Fe2 C31 H31 126.3 . . ?
C31 C32 C33 108.2(4) . . ?
C31 C32 Fe2 69.9(3) . . ?
C33 C32 Fe2 69.7(3) . . ?
C31 C32 H32 125.9 . . ?
C33 C32 H32 125.9 . . ?
Fe2 C32 H32 126.1 . . ?
C29 C33 C32 106.2(4) . . ?
C29 C33 C34 126.4(4) . . ?
C32 C33 C34 127.3(4) . . ?
C29 C33 Fe2 69.2(2) . . ?
C32 C33 Fe2 69.1(2) . . ?
C34 C33 Fe2 125.3(3) . . ?
C33 C34 N5 113.3(3) . . ?
C33 C34 H34A 108.9 . . ?
N5 C34 H34A 108.9 . . ?
C33 C34 H34B 108.9 . . ?
N5 C34 H34B 108.9 . . ?
H34A C34 H34B 107.7 . . ?
N5 C35 C36 109.0(3) . . ?
N5 C35 H35A 109.9 . . ?
C36 C35 H35A 109.9 . . ?
N5 C35 H35B 109.9 . . ?
C36 C35 H35B 109.9 . . ?
H35A C35 H35B 108.3 . . ?
N6 C36 C37 120.9(4) . . ?
N6 C36 C35 115.9(3) . . ?
C37 C36 C35 123.0(4) . . ?
C38 C37 C36 119.6(5) . . ?
C38 C37 H37 120.2 . . ?
C36 C37 H37 120.2 . . ?
C37 C38 C39 119.0(4) . . ?
C37 C38 H38 120.5 . . ?
C39 C38 H38 120.5 . . ?
C40 C39 C38 119.2(4) . . ?
C40 C39 H39 120.4 . . ?
C38 C39 H39 120.4 . . ?
N6 C40 C39 121.7(5) . . ?
N6 C40 H40 119.2 . . ?
C39 C40 H40 119.2 . . ?
N5 C41 C42 110.2(3) . . ?
N5 C41 H41A 109.6 . . ?
C42 C41 H41A 109.6 . . ?
N5 C41 H41B 109.6 . . ?
C42 C41 H41B 109.6 . . ?
H41A C41 H41B 108.1 . . ?
N4 C42 C43 121.2(4) . . ?
N4 C42 C41 115.9(4) . . ?
C43 C42 C41 122.8(4) . . ?
C44 C43 C42 118.9(5) . . ?
C44 C43 H43 120.5 . . ?
C42 C43 H43 120.5 . . ?
C45 C44 C43 119.4(4) . . ?
C45 C44 H44 120.3 . . ?
C43 C44 H44 120.3 . . ?
C44 C45 C46 120.1(5) . . ?
C44 C45 H45 119.9 . . ?
C46 C45 H45 119.9 . . ?
N4 C46 C45 120.9(5) . . ?
N4 C46 H46 119.5 . . ?
C45 C46 H46 119.6 . . ?

_diffrn_measured_fraction_theta_max 0.978
_diffrn_reflns_theta_full        30.57
_diffrn_measured_fraction_theta_full 0.978
_refine_diff_density_max         1.036
_refine_diff_density_min         -0.904
_refine_diff_density_rms         0.135


_database_code_depnum_ccdc_archive 'CCDC 920961'