# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 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_i14938


#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_name_systematic        FPtCzND
_chemical_formula_moiety         'C124 H72 F8 N16 O4 Pt4'
_chemical_formula_sum            'C124 H72 F8 N16 O4 Pt4'
_chemical_formula_weight         2782.33

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 2/c'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_Int_Tables_number      15
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'
'-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                   51.3810(14)
_cell_length_b                   7.9870(2)
_cell_length_c                   26.1603(7)
_cell_angle_alpha                90
_cell_angle_beta                 114.761(2)
_cell_angle_gamma                90
_cell_volume                     9748.7(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    100.0(2)
_cell_measurement_reflns_used    9605
_cell_measurement_theta_min      2.59
_cell_measurement_theta_max      27.75

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       plate
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.01
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_diffrn    1.896
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             5376
_exptl_special_details           
;
 ?
;

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    5.807
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS, 1996'
_exptl_absorpt_correction_T_min  0.8284
_exptl_absorpt_correction_T_max  0.9591
_shelx_estimated_absorpt_T_min   0.654
_shelx_estimated_absorpt_T_max   0.944

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature      100.0(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_reflns_av_R_equivalents  0.0625
_diffrn_reflns_number            105284
_diffrn_reflns_limit_h_min       -64
_diffrn_reflns_limit_h_max       64
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         0.873
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_full        25
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_reflns_Laue_measured_fraction_full 1
_diffrn_reflns_Laue_measured_fraction_max 1
_diffrn_reflns_point_group_measured_fraction_full 1
_diffrn_reflns_point_group_measured_fraction_max 1
_reflns_number_total             9960
_reflns_number_gt                9016
_reflns_threshold_expression     'I > 2σ(I)'

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION
#----------------------------------------------------------------------------#

_atom_sites_solution_hydrogens   geom

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0366P)²+39.4148P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         9960
_refine_ls_number_parameters     703
_refine_ls_number_restraints     251
_refine_ls_R_factor_all          0.0332
_refine_ls_R_factor_gt           0.0282
_refine_ls_wR_factor_ref         0.0728
_refine_ls_wR_factor_gt          0.0707
_refine_ls_goodness_of_fit_ref   1.109
_refine_ls_restrained_S_all      1.096
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0
_refine_diff_density_max         3.858
_refine_diff_density_min         -0.858
_refine_diff_density_rms         0.164

#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Pt Pt -1.7033 8.3905 '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'
O O 0.0106 0.006 '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'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.37135(2) 0.70717(2) 0.03083(2) 0.01173(5) Uani 1 d . .
Pt2 Pt 0.36140(2) 0.35857(2) 0.07769(2) 0.01263(5) Uani 1 d . .
F1 F 0.38879(6) 1.0622(4) 0.21071(12) 0.0265(6) Uani 1 d . .
F2 F 0.47188(6) 0.8297(5) 0.21090(14) 0.0414(9) Uani 1 d . .
F3 F 0.46168(7) 0.4061(5) 0.24928(13) 0.0378(8) Uani 1 d . .
F4 F 0.46441(6) 0.1436(4) 0.09279(13) 0.0317(7) Uani 1 d . .
O1 O 0.33903(6) 0.6315(4) -0.04549(13) 0.0148(6) Uani 1 d . .
O2 O 0.31856(6) 0.4378(4) 0.04566(13) 0.0183(7) Uani 1 d . .
N1 N 0.34345(8) 0.8238(5) 0.05357(16) 0.0145(8) Uani 1 d . .
N2 N 0.39576(8) 0.5887(5) -0.00320(15) 0.0136(7) Uani 1 d . .
N3 N 0.37310(8) 0.3471(5) -0.13582(16) 0.0157(8) Uani 1 d . .
N4 N 0.43298(8) 0.2883(4) -0.08807(16) 0.0146(8) Uani 1 d . .
N5 N 0.37234(8) 0.4752(5) 0.15156(15) 0.0152(8) Uani 1 d . .
N6 N 0.34539(8) 0.2278(4) 0.00419(15) 0.0128(7) Uani 1 d . .
N7 N 0.27422(8) 0.2463(5) -0.11603(16) 0.0171(8) Uani 1 d . .
N8 N 0.29792(7) -0.0387(5) -0.14553(15) 0.0141(7) Uani 1 d . .
C1 C 0.31501(9) 0.8218(6) 0.0203(2) 0.0176(9) Uani 1 d . .
H1 H 0.308 0.7585 -0.0136 0.021 Uiso 1 calc . .
C2 C 0.29589(10) 0.9100(6) 0.0345(2) 0.0213(10) Uani 1 d . .
H2 H 0.2759 0.9068 0.0109 0.026 Uiso 1 calc . .
C3 C 0.30623(11) 1.0032(6) 0.0838(2) 0.0239(11) Uani 1 d . .
H3 H 0.2934 1.0661 0.0939 0.029 Uiso 1 calc . .
C4 C 0.33562(10) 1.0042(6) 0.1185(2) 0.0203(10) Uani 1 d . .
H4 H 0.3429 1.0665 0.1525 0.024 Uiso 1 calc . .
C5 C 0.35407(9) 0.9126(5) 0.10242(19) 0.0151(9) Uani 1 d . .
C6 C 0.38511(10) 0.8962(5) 0.13218(19) 0.0148(9) Uani 1 d . .
C7 C 0.40145(10) 0.9672(5) 0.1842(2) 0.0170(9) Uani 1 d . .
C8 C 0.43064(10) 0.9483(6) 0.2123(2) 0.0199(10) Uani 1 d . .
H8 H 0.4414 0.9979 0.248 0.024 Uiso 1 calc . .
C9 C 0.44315(10) 0.8512(7) 0.1847(2) 0.0231(11) Uani 1 d . .
C10 C 0.42817(10) 0.7763(6) 0.1333(2) 0.0206(10) Uani 1 d . .
H10 H 0.438 0.7095 0.117 0.025 Uiso 1 calc . .
C11 C 0.39875(10) 0.7979(5) 0.10521(19) 0.0141(9) Uani 1 d . .
C12 C 0.34869(9) 0.5425(5) -0.07520(19) 0.0139(9) Uani 1 d . .
C13 C 0.33207(9) 0.4761(6) -0.12814(19) 0.0158(9) Uani 1 d . .
H13 H 0.312 0.4948 -0.1454 0.019 Uiso 1 calc . .
C14 C 0.34522(10) 0.3820(6) -0.15550(19) 0.0172(9) Uani 1 d . .
H14 H 0.3332 0.3386 -0.1915 0.021 Uiso 1 calc . .
C15 C 0.38999(9) 0.4130(5) -0.08475(18) 0.0126(8) Uani 1 d . .
C16 C 0.42047(9) 0.3898(5) -0.06073(19) 0.0143(9) Uani 1 d . .
C17 C 0.43685(9) 0.4758(6) -0.01239(19) 0.0177(9) Uani 1 d . .
H17 H 0.4572 0.4683 0.0029 0.021 Uiso 1 calc . .
C18 C 0.42390(9) 0.5740(6) 0.01439(19) 0.0180(9) Uani 1 d . .
H18 H 0.4359 0.6339 0.0472 0.022 Uiso 1 calc . .
C19 C 0.37893(9) 0.5107(5) -0.05350(18) 0.0121(8) Uani 1 d . .
C20 C 0.42559(9) 0.1219(6) -0.10507(19) 0.0159(9) Uani 1 d . .
C21 C 0.40639(9) 0.0182(6) -0.0955(2) 0.0181(9) Uani 1 d . .
H21 H 0.3956 0.0575 -0.076 0.022 Uiso 1 calc . .
C22 C 0.40347(10) -0.1440(6) -0.1155(2) 0.0194(10) Uani 1 d . .
H22 H 0.3902 -0.2168 -0.1102 0.023 Uiso 1 calc . .
C23 C 0.41960(10) -0.2028(6) -0.14300(19) 0.0192(10) Uani 1 d . .
H23 H 0.4169 -0.3144 -0.1569 0.023 Uiso 1 calc . .
C24 C 0.43941(10) -0.1014(6) -0.15044(19) 0.0189(10) Uani 1 d . .
H24 H 0.4508 -0.1435 -0.1684 0.023 Uiso 1 calc . .
C25 C 0.44264(9) 0.0641(6) -0.13141(18) 0.0142(9) Uani 1 d . .
C26 C 0.46138(9) 0.2001(5) -0.13050(19) 0.0147(9) Uani 1 d . .
C27 C 0.48244(10) 0.2206(6) -0.15053(19) 0.0182(9) Uani 1 d . .
H27 H 0.487 0.131 -0.1692 0.022 Uiso 1 calc . .
C28 C 0.49658(10) 0.3717(6) -0.1431(2) 0.0191(10) Uani 1 d . .
H28 H 0.5107 0.3862 -0.1572 0.023 Uiso 1 calc . .
C29 C 0.49034(9) 0.5036(6) -0.11502(19) 0.0174(9) Uani 1 d . .
H29 H 0.5005 0.606 -0.1099 0.021 Uiso 1 calc . .
C30 C 0.46955(9) 0.4883(6) -0.09443(19) 0.0160(9) Uani 1 d . .
H30 H 0.4652 0.5783 -0.0755 0.019 Uiso 1 calc . .
C31 C 0.45528(9) 0.3357(6) -0.10265(19) 0.0152(9) Uani 1 d . .
C32 C 0.35300(10) 0.5557(6) 0.1644(2) 0.0197(10) Uani 1 d . .
H32 H 0.3336 0.5597 0.1374 0.024 Uiso 1 calc . .
C33 C 0.36040(11) 0.6330(6) 0.2159(2) 0.0232(11) Uani 1 d . .
H33 H 0.3463 0.6883 0.2244 0.028 Uiso 1 calc . .
C34 C 0.38872(12) 0.6281(6) 0.2546(2) 0.0249(11) Uani 1 d . .
H34 H 0.3944 0.682 0.29 0.03 Uiso 1 calc . .
C35 C 0.40883(11) 0.5450(6) 0.2419(2) 0.0216(10) Uani 1 d . .
H35 H 0.4283 0.5411 0.2684 0.026 Uiso 1 calc . .
C36 C 0.40025(10) 0.4668(6) 0.18955(19) 0.0180(9) Uani 1 d . .
C37 C 0.41801(10) 0.3752(5) 0.16757(19) 0.0166(9) Uani 1 d . .
C38 C 0.44749(10) 0.3520(6) 0.1953(2) 0.0222(10) Uani 1 d . .
C39 C 0.46370(10) 0.2752(6) 0.1720(2) 0.0232(10) Uani 1 d . .
H39 H 0.4838 0.2611 0.1922 0.028 Uiso 1 calc . .
C40 C 0.44925(10) 0.2195(6) 0.1176(2) 0.0208(10) Uani 1 d . .
C41 C 0.41996(10) 0.2372(6) 0.0874(2) 0.0187(10) Uani 1 d . .
H41 H 0.4111 0.1978 0.0497 0.022 Uiso 1 calc . .
C42 C 0.40339(9) 0.3120(5) 0.11158(19) 0.0143(9) Uani 1 d . .
C43 C 0.35715(9) 0.1093(5) -0.01486(19) 0.0131(9) Uani 1 d . .
H43 H 0.3768 0.0826 0.0066 0.016 Uiso 1 calc . .
C44 C 0.34206(9) 0.0220(5) -0.06488(18) 0.0141(9) Uani 1 d . .
H44 H 0.3515 -0.0625 -0.0763 0.017 Uiso 1 calc . .
C45 C 0.31382(9) 0.0566(5) -0.09768(18) 0.0136(9) Uani 1 d . .
C46 C 0.30078(9) 0.1922(5) -0.08168(19) 0.0145(9) Uani 1 d . .
C47 C 0.26371(10) 0.3687(6) -0.0959(2) 0.0188(10) Uani 1 d . .
H47 H 0.2457 0.414 -0.1207 0.023 Uiso 1 calc . .
C48 C 0.27655(10) 0.4376(6) -0.0419(2) 0.0205(10) Uani 1 d . .
H48 H 0.2667 0.5181 -0.03 0.025 Uiso 1 calc . .
C49 C 0.30416(9) 0.3861(5) -0.00573(19) 0.0155(9) Uani 1 d . .
C50 C 0.31700(9) 0.2663(6) -0.02865(19) 0.0142(9) Uani 1 d . .
C51 C 0.30756(9) -0.0990(5) -0.18517(18) 0.0147(9) Uani 1 d . .
C52 C 0.33276(10) -0.0608(6) -0.19094(19) 0.0179(9) Uani 1 d . .
H52 H 0.3466 0.0136 -0.1657 0.022 Uiso 1 calc . .
C53 C 0.33666(10) -0.1363(6) -0.2350(2) 0.0206(10) Uani 1 d . .
H53 H 0.3536 -0.1138 -0.2399 0.025 Uiso 1 calc . .
C54 C 0.31613(10) -0.2447(6) -0.2725(2) 0.0217(10) Uani 1 d . .
H54 H 0.3196 -0.2961 -0.3018 0.026 Uiso 1 calc . .
C55 C 0.29091(10) -0.2779(6) -0.2675(2) 0.0209(10) Uani 1 d . .
H55 H 0.2768 -0.3491 -0.2937 0.025 Uiso 1 calc . .
C56 C 0.28664(10) -0.2047(5) -0.22329(19) 0.0160(9) Uani 1 d . .
C57 C 0.26343(10) -0.2143(5) -0.2055(2) 0.0171(9) Uani 1 d . .
C58 C 0.23775(10) -0.3014(6) -0.2260(2) 0.0216(10) Uani 1 d . .
H58 H 0.232 -0.3654 -0.2595 0.026 Uiso 1 calc . .
C59 C 0.22062(10) -0.2941(6) -0.1970(2) 0.0237(11) Uani 1 d . .
H59 H 0.203 -0.3537 -0.2106 0.028 Uiso 1 calc . .
C60 C 0.22909(10) -0.1995(6) -0.1478(2) 0.0218(10) Uani 1 d . .
H60 H 0.2173 -0.1977 -0.128 0.026 Uiso 1 calc . .
C61 C 0.25442(10) -0.1077(6) -0.1273(2) 0.0173(9) Uani 1 d . .
H61 H 0.26 -0.0429 -0.0939 0.021 Uiso 1 calc . .
C62 C 0.27126(9) -0.1140(5) -0.15714(19) 0.0154(9) Uani 1 d . .



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_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 1.998(4) . ?
Pt1 C11 2.000(4) . ?
Pt1 N2 2.049(4) . ?
Pt1 O1 2.081(3) . ?
Pt1 Pt2 3.1687(2) . ?
Pt2 C42 1.994(4) . ?
Pt2 N5 2.002(4) . ?
Pt2 N6 2.035(4) . ?
Pt2 O2 2.098(3) . ?
F1 C7 1.363(5) . ?
F2 C9 1.353(5) . ?
F3 C38 1.359(5) . ?
F4 C40 1.348(6) . ?
O1 C12 1.296(5) . ?
O2 C49 1.301(5) . ?
N1 C1 1.352(6) . ?
N1 C5 1.360(6) . ?
N2 C18 1.326(6) . ?
N2 C19 1.383(6) . ?
N3 C14 1.333(6) . ?
N3 C15 1.358(6) . ?
N4 C20 1.402(6) . ?
N4 C16 1.403(5) . ?
N4 C31 1.403(6) . ?
N5 C32 1.339(6) . ?
N5 C36 1.362(6) . ?
N6 C43 1.327(6) . ?
N6 C50 1.383(6) . ?
N7 C47 1.327(6) . ?
N7 C46 1.353(6) . ?
N8 C45 1.399(6) . ?
N8 C62 1.407(5) . ?
N8 C51 1.408(6) . ?
C1 C2 1.380(6) . ?
C1 H1 0.95 . ?
C2 C3 1.387(7) . ?
C2 H2 0.95 . ?
C3 C4 1.399(7) . ?
C3 H3 0.95 . ?
C4 C5 1.394(6) . ?
C4 H4 0.95 . ?
C5 C6 1.458(6) . ?
C6 C7 1.386(6) . ?
C6 C11 1.421(6) . ?
C7 C8 1.374(6) . ?
C8 C9 1.388(7) . ?
C8 H8 0.95 . ?
C9 C10 1.374(7) . ?
C10 C11 1.387(6) . ?
C10 H10 0.95 . ?
C12 C13 1.392(6) . ?
C12 C19 1.436(6) . ?
C13 C14 1.392(6) . ?
C13 H13 0.95 . ?
C14 H14 0.95 . ?
C15 C19 1.411(6) . ?
C15 C16 1.434(6) . ?
C16 C17 1.374(6) . ?
C17 C18 1.392(6) . ?
C17 H17 0.95 . ?
C18 H18 0.95 . ?
C20 C21 1.389(6) . ?
C20 C25 1.400(6) . ?
C21 C22 1.381(7) . ?
C21 H21 0.95 . ?
C22 C23 1.388(7) . ?
C22 H22 0.95 . ?
C23 C24 1.377(7) . ?
C23 H23 0.95 . ?
C24 C25 1.398(6) . ?
C24 H24 0.95 . ?
C25 C26 1.445(6) . ?
C26 C27 1.395(6) . ?
C26 C31 1.412(6) . ?
C27 C28 1.380(7) . ?
C27 H27 0.95 . ?
C28 C29 1.395(6) . ?
C28 H28 0.95 . ?
C29 C30 1.388(6) . ?
C29 H29 0.95 . ?
C30 C31 1.392(6) . ?
C30 H30 0.95 . ?
C32 C33 1.381(7) . ?
C32 H32 0.95 . ?
C33 C34 1.382(7) . ?
C33 H33 0.95 . ?
C34 C35 1.381(7) . ?
C34 H34 0.95 . ?
C35 C36 1.397(6) . ?
C35 H35 0.95 . ?
C36 C37 1.462(7) . ?
C37 C38 1.391(7) . ?
C37 C42 1.429(6) . ?
C38 C39 1.368(7) . ?
C39 C40 1.375(7) . ?
C39 H39 0.95 . ?
C40 C41 1.383(6) . ?
C41 C42 1.391(6) . ?
C41 H41 0.95 . ?
C43 C44 1.396(6) . ?
C43 H43 0.95 . ?
C44 C45 1.369(6) . ?
C44 H44 0.95 . ?
C45 C46 1.425(6) . ?
C46 C50 1.415(6) . ?
C47 C48 1.398(7) . ?
C47 H47 0.95 . ?
C48 C49 1.397(6) . ?
C48 H48 0.95 . ?
C49 C50 1.429(6) . ?
C51 C52 1.398(6) . ?
C51 C56 1.402(6) . ?
C52 C53 1.389(7) . ?
C52 H52 0.95 . ?
C53 C54 1.399(7) . ?
C53 H53 0.95 . ?
C54 C55 1.381(7) . ?
C54 H54 0.95 . ?
C55 C56 1.394(7) . ?
C55 H55 0.95 . ?
C56 C57 1.453(7) . ?
C57 C58 1.386(6) . ?
C57 C62 1.406(6) . ?
C58 C59 1.382(7) . ?
C58 H58 0.95 . ?
C59 C60 1.395(7) . ?
C59 H59 0.95 . ?
C60 C61 1.391(6) . ?
C60 H60 0.95 . ?
C61 C62 1.389(6) . ?
C61 H61 0.95 . ?

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 C11 80.90(17) . . ?
N1 Pt1 N2 172.36(15) . . ?
C11 Pt1 N2 106.29(16) . . ?
N1 Pt1 O1 92.14(14) . . ?
C11 Pt1 O1 172.92(15) . . ?
N2 Pt1 O1 80.60(13) . . ?
N1 Pt1 Pt2 92.44(10) . . ?
C11 Pt1 Pt2 95.97(12) . . ?
N2 Pt1 Pt2 89.40(10) . . ?
O1 Pt1 Pt2 85.58(8) . . ?
C42 Pt2 N5 81.00(17) . . ?
C42 Pt2 N6 104.96(16) . . ?
N5 Pt2 N6 171.88(14) . . ?
C42 Pt2 O2 172.94(15) . . ?
N5 Pt2 O2 93.93(14) . . ?
N6 Pt2 O2 80.58(13) . . ?
C42 Pt2 Pt1 90.92(12) . . ?
N5 Pt2 Pt1 86.50(10) . . ?
N6 Pt2 Pt1 98.77(10) . . ?
O2 Pt2 Pt1 83.83(9) . . ?
C12 O1 Pt1 112.5(3) . . ?
C49 O2 Pt2 111.4(3) . . ?
C1 N1 C5 120.8(4) . . ?
C1 N1 Pt1 121.3(3) . . ?
C5 N1 Pt1 117.9(3) . . ?
C18 N2 C19 116.5(4) . . ?
C18 N2 Pt1 131.8(3) . . ?
C19 N2 Pt1 111.6(3) . . ?
C14 N3 C15 116.1(4) . . ?
C20 N4 C16 126.1(4) . . ?
C20 N4 C31 108.2(4) . . ?
C16 N4 C31 125.7(4) . . ?
C32 N5 C36 120.3(4) . . ?
C32 N5 Pt2 121.9(3) . . ?
C36 N5 Pt2 117.8(3) . . ?
C43 N6 C50 117.0(4) . . ?
C43 N6 Pt2 130.8(3) . . ?
C50 N6 Pt2 112.1(3) . . ?
C47 N7 C46 115.9(4) . . ?
C45 N8 C62 125.2(4) . . ?
C45 N8 C51 126.2(4) . . ?
C62 N8 C51 107.8(4) . . ?
N1 C1 C2 121.3(4) . . ?
N1 C1 H1 119.4 . . ?
C2 C1 H1 119.4 . . ?
C1 C2 C3 119.1(4) . . ?
C1 C2 H2 120.5 . . ?
C3 C2 H2 120.5 . . ?
C2 C3 C4 119.7(4) . . ?
C2 C3 H3 120.1 . . ?
C4 C3 H3 120.1 . . ?
C5 C4 C3 119.1(4) . . ?
C5 C4 H4 120.4 . . ?
C3 C4 H4 120.4 . . ?
N1 C5 C4 120.0(4) . . ?
N1 C5 C6 111.9(4) . . ?
C4 C5 C6 128.0(4) . . ?
C7 C6 C11 119.5(4) . . ?
C7 C6 C5 124.4(4) . . ?
C11 C6 C5 116.2(4) . . ?
F1 C7 C8 115.8(4) . . ?
F1 C7 C6 120.4(4) . . ?
C8 C7 C6 123.8(4) . . ?
C7 C8 C9 115.0(4) . . ?
C7 C8 H8 122.5 . . ?
C9 C8 H8 122.5 . . ?
F2 C9 C10 119.0(4) . . ?
F2 C9 C8 116.9(4) . . ?
C10 C9 C8 124.1(4) . . ?
C9 C10 C11 120.3(4) . . ?
C9 C10 H10 119.9 . . ?
C11 C10 H10 119.9 . . ?
C10 C11 C6 117.4(4) . . ?
C10 C11 Pt1 129.6(3) . . ?
C6 C11 Pt1 113.0(3) . . ?
O1 C12 C13 125.2(4) . . ?
O1 C12 C19 118.8(4) . . ?
C13 C12 C19 115.9(4) . . ?
C12 C13 C14 119.3(4) . . ?
C12 C13 H13 120.3 . . ?
C14 C13 H13 120.3 . . ?
N3 C14 C13 126.1(4) . . ?
N3 C14 H14 117 . . ?
C13 C14 H14 117 . . ?
N3 C15 C19 122.6(4) . . ?
N3 C15 C16 120.8(4) . . ?
C19 C15 C16 116.6(4) . . ?
C17 C16 N4 121.6(4) . . ?
C17 C16 C15 118.3(4) . . ?
N4 C16 C15 120.0(4) . . ?
C16 C17 C18 120.5(4) . . ?
C16 C17 H17 119.8 . . ?
C18 C17 H17 119.8 . . ?
N2 C18 C17 123.8(4) . . ?
N2 C18 H18 118.1 . . ?
C17 C18 H18 118.1 . . ?
N2 C19 C15 123.9(4) . . ?
N2 C19 C12 116.0(4) . . ?
C15 C19 C12 120.0(4) . . ?
C21 C20 C25 122.0(4) . . ?
C21 C20 N4 128.8(4) . . ?
C25 C20 N4 109.1(4) . . ?
C22 C21 C20 117.7(4) . . ?
C22 C21 H21 121.1 . . ?
C20 C21 H21 121.1 . . ?
C21 C22 C23 121.3(4) . . ?
C21 C22 H22 119.4 . . ?
C23 C22 H22 119.4 . . ?
C24 C23 C22 120.8(4) . . ?
C24 C23 H23 119.6 . . ?
C22 C23 H23 119.6 . . ?
C23 C24 C25 119.4(4) . . ?
C23 C24 H24 120.3 . . ?
C25 C24 H24 120.3 . . ?
C24 C25 C20 118.8(4) . . ?
C24 C25 C26 134.1(4) . . ?
C20 C25 C26 107.1(4) . . ?
C27 C26 C31 118.6(4) . . ?
C27 C26 C25 134.3(4) . . ?
C31 C26 C25 107.2(4) . . ?
C28 C27 C26 119.6(4) . . ?
C28 C27 H27 120.2 . . ?
C26 C27 H27 120.2 . . ?
C27 C28 C29 120.8(4) . . ?
C27 C28 H28 119.6 . . ?
C29 C28 H28 119.6 . . ?
C30 C29 C28 121.4(4) . . ?
C30 C29 H29 119.3 . . ?
C28 C29 H29 119.3 . . ?
C29 C30 C31 117.3(4) . . ?
C29 C30 H30 121.4 . . ?
C31 C30 H30 121.4 . . ?
C30 C31 N4 129.2(4) . . ?
C30 C31 C26 122.4(4) . . ?
N4 C31 C26 108.4(4) . . ?
N5 C32 C33 121.9(5) . . ?
N5 C32 H32 119 . . ?
C33 C32 H32 119 . . ?
C32 C33 C34 118.5(5) . . ?
C32 C33 H33 120.8 . . ?
C34 C33 H33 120.8 . . ?
C35 C34 C33 120.1(5) . . ?
C35 C34 H34 120 . . ?
C33 C34 H34 120 . . ?
C34 C35 C36 119.3(5) . . ?
C34 C35 H35 120.3 . . ?
C36 C35 H35 120.3 . . ?
N5 C36 C35 119.8(4) . . ?
N5 C36 C37 112.2(4) . . ?
C35 C36 C37 128.0(4) . . ?
C38 C37 C42 118.6(4) . . ?
C38 C37 C36 125.7(4) . . ?
C42 C37 C36 115.6(4) . . ?
F3 C38 C39 116.4(4) . . ?
F3 C38 C37 119.5(4) . . ?
C39 C38 C37 124.1(4) . . ?
C38 C39 C40 116.2(4) . . ?
C38 C39 H39 121.9 . . ?
C40 C39 H39 121.9 . . ?
F4 C40 C39 118.2(4) . . ?
F4 C40 C41 118.8(4) . . ?
C39 C40 C41 123.0(5) . . ?
C40 C41 C42 120.8(4) . . ?
C40 C41 H41 119.6 . . ?
C42 C41 H41 119.6 . . ?
C41 C42 C37 117.3(4) . . ?
C41 C42 Pt2 129.2(3) . . ?
C37 C42 Pt2 113.3(3) . . ?
N6 C43 C44 123.1(4) . . ?
N6 C43 H43 118.4 . . ?
C44 C43 H43 118.4 . . ?
C45 C44 C43 120.9(4) . . ?
C45 C44 H44 119.6 . . ?
C43 C44 H44 119.6 . . ?
C44 C45 N8 121.3(4) . . ?
C44 C45 C46 118.3(4) . . ?
N8 C45 C46 120.4(4) . . ?
N7 C46 C50 122.2(4) . . ?
N7 C46 C45 121.0(4) . . ?
C50 C46 C45 116.7(4) . . ?
N7 C47 C48 126.3(4) . . ?
N7 C47 H47 116.8 . . ?
C48 C47 H47 116.8 . . ?
C49 C48 C47 119.0(4) . . ?
C49 C48 H48 120.5 . . ?
C47 C48 H48 120.5 . . ?
O2 C49 C48 125.7(4) . . ?
O2 C49 C50 118.9(4) . . ?
C48 C49 C50 115.4(4) . . ?
N6 C50 C46 123.4(4) . . ?
N6 C50 C49 116.2(4) . . ?
C46 C50 C49 120.4(4) . . ?
C52 C51 C56 121.6(4) . . ?
C52 C51 N8 129.2(4) . . ?
C56 C51 N8 109.1(4) . . ?
C53 C52 C51 117.2(4) . . ?
C53 C52 H52 121.4 . . ?
C51 C52 H52 121.4 . . ?
C52 C53 C54 121.5(5) . . ?
C52 C53 H53 119.3 . . ?
C54 C53 H53 119.3 . . ?
C55 C54 C53 121.0(4) . . ?
C55 C54 H54 119.5 . . ?
C53 C54 H54 119.5 . . ?
C54 C55 C56 118.5(4) . . ?
C54 C55 H55 120.7 . . ?
C56 C55 H55 120.7 . . ?
C55 C56 C51 120.2(4) . . ?
C55 C56 C57 132.8(4) . . ?
C51 C56 C57 107.0(4) . . ?
C58 C57 C62 120.1(4) . . ?
C58 C57 C56 132.8(4) . . ?
C62 C57 C56 107.1(4) . . ?
C59 C58 C57 119.2(5) . . ?
C59 C58 H58 120.4 . . ?
C57 C58 H58 120.4 . . ?
C58 C59 C60 120.3(4) . . ?
C58 C59 H59 119.9 . . ?
C60 C59 H59 119.9 . . ?
C61 C60 C59 121.5(5) . . ?
C61 C60 H60 119.3 . . ?
C59 C60 H60 119.3 . . ?
C62 C61 C60 117.8(4) . . ?
C62 C61 H61 121.1 . . ?
C60 C61 H61 121.1 . . ?
C61 C62 C57 121.0(4) . . ?
C61 C62 N8 130.0(4) . . ?
C57 C62 N8 108.9(4) . . ?

# The following lines are used to test the character set of files sent by
# network email or other means. They are not part of the CIF data set
# abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ0123456789
# !@#$%^&*()_+{}:"~<>?|\-=[];'`,./

# END of CIF
_chemical_name_common            PtCz
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: CH2Cl2/CH3OH'
_exptl_crystal_preparation       Luminescent
_database_code_depnum_ccdc_archive 'CCDC 1010104'
#######################################################################
#
#                 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_i13879

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_name_systematic        FPtOPhND
_chemical_formula_moiety         'C25 H15 F2 N3 O2 Pt'
_chemical_formula_sum            'C25 H15 F2 N3 O2 Pt'
_chemical_formula_weight         622.49

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   14.9476(8)
_cell_length_b                   19.1171(8)
_cell_length_c                   6.8875(3)
_cell_angle_alpha                90
_cell_angle_beta                 98.290(4)
_cell_angle_gamma                90
_cell_volume                     1947.57(16)
_cell_formula_units_Z            4
_cell_measurement_temperature    100.00(10)
_cell_measurement_reflns_used    6549
_cell_measurement_theta_min      2.9471
_cell_measurement_theta_max      30.0208

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       niddle
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_diffrn    2.123
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1192
_exptl_special_details           
;
 ?
;

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    7.255
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
        CrysAlisPro, Oxford Diffraction Ltd.,
        Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
        (compiled Aug 27 2010,11:50:40)
        Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_correction_T_min  0.68999
_exptl_absorpt_correction_T_max  1

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature      100.00(10)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_detector_area_resol_mean 10.4875
_diffrn_orient_matrix_ub_11      0.0335906
_diffrn_orient_matrix_ub_12      0.02645
_diffrn_orient_matrix_ub_13      0.0154181
_diffrn_orient_matrix_ub_21      0.0341278
_diffrn_orient_matrix_ub_22      -0.0255777
_diffrn_orient_matrix_ub_23      -0.0030675
_diffrn_orient_matrix_ub_31      -0.0029655
_diffrn_orient_matrix_ub_32      0.0047211
_diffrn_orient_matrix_ub_33      -0.1028322
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_reflns_av_R_equivalents  0.0513
_diffrn_reflns_av_unetI/netI     0.0578
_diffrn_reflns_number            19303
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_theta_min         2.95
_diffrn_reflns_theta_max         30.09
_diffrn_reflns_theta_full        25
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.897
_reflns_number_total             5135
_reflns_number_gt                4000
_reflns_threshold_expression     >2sigma(I)

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       
;
        CrysAlisPro, Oxford Diffraction Ltd.,
        Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
        (compiled Aug 27 2010,11:50:40)
;
_computing_cell_refinement       
;
        CrysAlisPro, Oxford Diffraction Ltd.,
        Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
        (compiled Aug 27 2010,11:50:40)
;
_computing_data_reduction        
;
        CrysAlisPro, Oxford Diffraction Ltd.,
        Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
        (compiled Aug 27 2010,11:50:40)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION
#----------------------------------------------------------------------------#

_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² 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/[σ²(Fo²)+(0.0127P)²+1.0749P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         5135
_refine_ls_number_parameters     298
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0519
_refine_ls_R_factor_gt           0.0316
_refine_ls_wR_factor_ref         0.0545
_refine_ls_wR_factor_gt          0.0493
_refine_ls_goodness_of_fit_ref   1.03
_refine_ls_restrained_S_all      1.03
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_diff_density_max         0.986
_refine_diff_density_min         -1.167
_refine_diff_density_rms         0.189

#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Pt Pt -1.7033 8.3905 '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'
O O 0.0106 0.006 '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'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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
Pt Pt 0.406050(12) 0.728555(8) 0.60083(2) 0.01091(5) Uani 1 1 d . . .
F1 F 0.39613(18) 0.45870(11) 0.8122(3) 0.0207(6) Uani 1 1 d . . .
F2 F 0.67106(18) 0.54771(12) 0.6750(3) 0.0228(6) Uani 1 1 d . . .
O1 O 0.3661(2) 0.83503(14) 0.5832(4) 0.0144(6) Uani 1 1 d . . .
O2 O -0.0097(2) 0.72539(15) 0.4596(4) 0.0199(7) Uani 1 1 d . . .
N1 N 0.2702(2) 0.71671(16) 0.5555(4) 0.0115(7) Uani 1 1 d . . .
N5 N 0.0848(3) 0.84603(17) 0.4965(5) 0.0159(8) Uani 1 1 d . . .
N17 N 0.5380(2) 0.74348(17) 0.6037(4) 0.0119(7) Uani 1 1 d . . .
C2 C 0.2212(3) 0.6589(2) 0.5202(5) 0.0125(9) Uani 1 1 d . . .
H2 H 0.2514 0.6165 0.5167 0.015 Uiso 1 1 calc R . .
C3 C 0.1279(3) 0.6584(2) 0.4882(5) 0.0150(9) Uani 1 1 d . . .
H3 H 0.0969 0.6162 0.4681 0.018 Uiso 1 1 calc R . .
C4 C 0.0808(3) 0.7201(2) 0.4862(5) 0.0158(9) Uani 1 1 d . . .
C6 C 0.1377(3) 0.9024(2) 0.5158(5) 0.0164(10) Uani 1 1 d . . .
H6 H 0.1085 0.9455 0.5078 0.02 Uiso 1 1 calc R . .
C7 C 0.2313(3) 0.9038(2) 0.5467(5) 0.0136(9) Uani 1 1 d . . .
H7 H 0.262 0.9462 0.5569 0.016 Uiso 1 1 calc R . .
C8 C 0.2793(3) 0.8405(2) 0.5623(5) 0.0107(9) Uani 1 1 d . . .
C9 C 0.2244(3) 0.7795(2) 0.5431(5) 0.0107(8) Uani 1 1 d . . .
C10 C 0.1308(3) 0.7840(2) 0.5107(5) 0.0126(9) Uani 1 1 d . . .
C11 C -0.0600(3) 0.6623(2) 0.4367(6) 0.0160(9) Uani 1 1 d . . .
C12 C -0.0770(3) 0.6270(2) 0.6012(6) 0.0230(11) Uani 1 1 d . . .
H12 H -0.0556 0.6433 0.7265 0.028 Uiso 1 1 calc R . .
C13 C -0.1275(3) 0.5660(2) 0.5723(7) 0.0259(11) Uani 1 1 d . . .
H13 H -0.1392 0.5403 0.6805 0.031 Uiso 1 1 calc R . .
C14 C -0.1604(3) 0.5428(2) 0.3876(7) 0.0268(11) Uani 1 1 d . . .
H14 H -0.1954 0.5025 0.3713 0.032 Uiso 1 1 calc R . .
C15 C -0.1416(3) 0.5795(2) 0.2254(7) 0.0252(11) Uani 1 1 d . . .
H15 H -0.1636 0.5636 0.1 0.03 Uiso 1 1 calc R . .
C16 C -0.0897(3) 0.6403(2) 0.2494(6) 0.0195(10) Uani 1 1 d . . .
H16 H -0.0757 0.6652 0.1417 0.023 Uiso 1 1 calc R . .
C18 C 0.5746(3) 0.8071(2) 0.5851(5) 0.0154(9) Uani 1 1 d . . .
H18 H 0.5384 0.8464 0.5903 0.018 Uiso 1 1 calc R . .
C19 C 0.6629(3) 0.8163(2) 0.5590(5) 0.0158(9) Uani 1 1 d . . .
H19 H 0.6869 0.8609 0.5518 0.019 Uiso 1 1 calc R . .
C20 C 0.7153(3) 0.7577(2) 0.5437(5) 0.0180(10) Uani 1 1 d . . .
H20 H 0.7748 0.7624 0.5203 0.022 Uiso 1 1 calc R . .
C21 C 0.6792(3) 0.6923(2) 0.5634(5) 0.0170(9) Uani 1 1 d . . .
H21 H 0.7143 0.6526 0.5534 0.02 Uiso 1 1 calc R . .
C22 C 0.5911(3) 0.6856(2) 0.5979(5) 0.0123(8) Uani 1 1 d . . .
C23 C 0.5426(3) 0.6219(2) 0.6363(5) 0.0142(9) Uani 1 1 d . . .
C24 C 0.4495(3) 0.63156(19) 0.6499(5) 0.0107(8) Uani 1 1 d . . .
C25 C 0.4024(3) 0.57515(19) 0.7153(5) 0.0114(8) Uani 1 1 d . . .
H25 H 0.3421 0.5801 0.7326 0.014 Uiso 1 1 calc R . .
C26 C 0.4458(3) 0.5123(2) 0.7540(5) 0.0154(9) Uani 1 1 d . . .
C27 C 0.5349(3) 0.5005(2) 0.7409(5) 0.0145(9) Uani 1 1 d . . .
H27 H 0.5623 0.4573 0.7697 0.017 Uiso 1 1 calc R . .
C28 C 0.5811(3) 0.5567(2) 0.6824(6) 0.0154(9) Uani 1 1 d . . .



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_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
Pt C24 1.977(4) . ?
Pt N17 1.990(4) . ?
Pt N1 2.022(4) . ?
Pt O1 2.120(3) . ?
F1 C26 1.359(5) . ?
F2 C28 1.363(5) . ?
O1 C8 1.289(5) . ?
O2 C4 1.342(5) . ?
O2 C11 1.418(5) . ?
N1 C2 1.329(5) . ?
N1 C9 1.378(5) . ?
N5 C6 1.331(5) . ?
N5 C10 1.368(5) . ?
N17 C18 1.347(5) . ?
N17 C22 1.367(5) . ?
C2 C3 1.380(6) . ?
C2 H2 0.93 . ?
C3 C4 1.373(6) . ?
C3 H3 0.93 . ?
C4 C10 1.429(6) . ?
C6 C7 1.385(6) . ?
C6 H6 0.93 . ?
C7 C8 1.402(5) . ?
C7 H7 0.93 . ?
C8 C9 1.422(5) . ?
C9 C10 1.388(6) . ?
C11 C16 1.368(6) . ?
C11 C12 1.373(6) . ?
C12 C13 1.388(6) . ?
C12 H12 0.93 . ?
C13 C14 1.369(6) . ?
C13 H13 0.93 . ?
C14 C15 1.382(6) . ?
C14 H14 0.93 . ?
C15 C16 1.394(6) . ?
C15 H15 0.93 . ?
C16 H16 0.93 . ?
C18 C19 1.368(6) . ?
C18 H18 0.93 . ?
C19 C20 1.380(6) . ?
C19 H19 0.93 . ?
C20 C21 1.378(6) . ?
C20 H20 0.93 . ?
C21 C22 1.377(6) . ?
C21 H21 0.93 . ?
C22 C23 1.461(6) . ?
C23 C28 1.389(6) . ?
C23 C24 1.421(6) . ?
C24 C25 1.398(5) . ?
C25 C26 1.373(5) . ?
C25 H25 0.93 . ?
C26 C27 1.367(6) . ?
C27 C28 1.369(6) . ?
C27 H27 0.93 . ?

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
C24 Pt N17 80.36(16) . . ?
C24 Pt N1 102.64(16) . . ?
N17 Pt N1 171.59(11) . . ?
C24 Pt O1 173.21(12) . . ?
N17 Pt O1 97.68(13) . . ?
N1 Pt O1 80.22(12) . . ?
C8 O1 Pt 110.8(2) . . ?
C4 O2 C11 117.3(3) . . ?
C2 N1 C9 117.2(4) . . ?
C2 N1 Pt 129.5(3) . . ?
C9 N1 Pt 113.0(3) . . ?
C6 N5 C10 114.2(4) . . ?
C18 N17 C22 118.8(4) . . ?
C18 N17 Pt 123.0(3) . . ?
C22 N17 Pt 117.6(3) . . ?
N1 C2 C3 123.6(4) . . ?
N1 C2 H2 118.2 . . ?
C3 C2 H2 118.2 . . ?
C4 C3 C2 120.1(4) . . ?
C4 C3 H3 120 . . ?
C2 C3 H3 120 . . ?
O2 C4 C3 124.9(4) . . ?
O2 C4 C10 116.9(4) . . ?
C3 C4 C10 118.3(4) . . ?
N5 C6 C7 127.1(4) . . ?
N5 C6 H6 116.5 . . ?
C7 C6 H6 116.5 . . ?
C6 C7 C8 119.3(4) . . ?
C6 C7 H7 120.3 . . ?
C8 C7 H7 120.3 . . ?
O1 C8 C7 125.1(4) . . ?
O1 C8 C9 120.1(4) . . ?
C7 C8 C9 114.8(4) . . ?
N1 C9 C10 123.0(4) . . ?
N1 C9 C8 115.8(4) . . ?
C10 C9 C8 121.3(4) . . ?
N5 C10 C9 123.3(4) . . ?
N5 C10 C4 118.9(4) . . ?
C9 C10 C4 117.7(4) . . ?
C16 C11 C12 123.7(4) . . ?
C16 C11 O2 117.4(4) . . ?
C12 C11 O2 118.9(4) . . ?
C11 C12 C13 117.1(4) . . ?
C11 C12 H12 121.5 . . ?
C13 C12 H12 121.5 . . ?
C14 C13 C12 121.3(4) . . ?
C14 C13 H13 119.3 . . ?
C12 C13 H13 119.3 . . ?
C13 C14 C15 119.9(4) . . ?
C13 C14 H14 120 . . ?
C15 C14 H14 120 . . ?
C14 C15 C16 120.2(4) . . ?
C14 C15 H15 119.9 . . ?
C16 C15 H15 119.9 . . ?
C11 C16 C15 117.8(4) . . ?
C11 C16 H16 121.1 . . ?
C15 C16 H16 121.1 . . ?
N17 C18 C19 122.8(4) . . ?
N17 C18 H18 118.6 . . ?
C19 C18 H18 118.6 . . ?
C18 C19 C20 118.4(4) . . ?
C18 C19 H19 120.8 . . ?
C20 C19 H19 120.8 . . ?
C21 C20 C19 119.6(4) . . ?
C21 C20 H20 120.2 . . ?
C19 C20 H20 120.2 . . ?
C22 C21 C20 119.9(4) . . ?
C22 C21 H21 120 . . ?
C20 C21 H21 120 . . ?
N17 C22 C21 120.3(4) . . ?
N17 C22 C23 111.3(4) . . ?
C21 C22 C23 128.3(4) . . ?
C28 C23 C24 118.7(4) . . ?
C28 C23 C22 126.0(4) . . ?
C24 C23 C22 114.8(4) . . ?
C25 C24 C23 117.7(3) . . ?
C25 C24 Pt 127.6(3) . . ?
C23 C24 Pt 114.3(3) . . ?
C26 C25 C24 119.4(4) . . ?
C26 C25 H25 120.3 . . ?
C24 C25 H25 120.3 . . ?
F1 C26 C27 118.3(4) . . ?
F1 C26 C25 117.0(4) . . ?
C27 C26 C25 124.7(4) . . ?
C26 C27 C28 115.3(4) . . ?
C26 C27 H27 122.3 . . ?
C28 C27 H27 122.3 . . ?
F2 C28 C27 117.0(4) . . ?
F2 C28 C23 118.9(4) . . ?
C27 C28 C23 124.1(4) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C24 Pt O1 C8 -112.7(12) . . . . ?
N17 Pt O1 C8 174.6(2) . . . . ?
N1 Pt O1 C8 2.8(2) . . . . ?
C24 Pt N1 C2 -14.4(3) . . . . ?
N17 Pt N1 C2 95.7(9) . . . . ?
O1 Pt N1 C2 171.9(3) . . . . ?
C24 Pt N1 C9 172.0(2) . . . . ?
N17 Pt N1 C9 -77.9(9) . . . . ?
O1 Pt N1 C9 -1.7(2) . . . . ?
C24 Pt N17 C18 -177.0(3) . . . . ?
N1 Pt N17 C18 71.4(10) . . . . ?
O1 Pt N17 C18 -3.6(3) . . . . ?
C24 Pt N17 C22 11.9(3) . . . . ?
N1 Pt N17 C22 -99.7(9) . . . . ?
O1 Pt N17 C22 -174.6(2) . . . . ?
C9 N1 C2 C3 -5.4(5) . . . . ?
Pt N1 C2 C3 -178.8(3) . . . . ?
N1 C2 C3 C4 1.9(6) . . . . ?
C11 O2 C4 C3 1.6(5) . . . . ?
C11 O2 C4 C10 -179.5(3) . . . . ?
C2 C3 C4 O2 -178.9(3) . . . . ?
C2 C3 C4 C10 2.2(5) . . . . ?
C10 N5 C6 C7 0.4(6) . . . . ?
N5 C6 C7 C8 -0.7(6) . . . . ?
Pt O1 C8 C7 179.8(3) . . . . ?
Pt O1 C8 C9 -3.5(4) . . . . ?
C6 C7 C8 O1 177.1(3) . . . . ?
C6 C7 C8 C9 0.3(5) . . . . ?
C2 N1 C9 C10 5.0(5) . . . . ?
Pt N1 C9 C10 179.4(3) . . . . ?
C2 N1 C9 C8 -174.0(3) . . . . ?
Pt N1 C9 C8 0.5(4) . . . . ?
O1 C8 C9 N1 2.2(5) . . . . ?
C7 C8 C9 N1 179.2(3) . . . . ?
O1 C8 C9 C10 -176.7(3) . . . . ?
C7 C8 C9 C10 0.2(5) . . . . ?
C6 N5 C10 C9 0.2(5) . . . . ?
C6 N5 C10 C4 -178.2(3) . . . . ?
N1 C9 C10 N5 -179.4(3) . . . . ?
C8 C9 C10 N5 -0.5(6) . . . . ?
N1 C9 C10 C4 -1.0(5) . . . . ?
C8 C9 C10 C4 177.8(3) . . . . ?
O2 C4 C10 N5 -3.1(5) . . . . ?
C3 C4 C10 N5 175.9(3) . . . . ?
O2 C4 C10 C9 178.5(3) . . . . ?
C3 C4 C10 C9 -2.6(5) . . . . ?
C4 O2 C11 C16 -95.7(5) . . . . ?
C4 O2 C11 C12 84.9(5) . . . . ?
C16 C11 C12 C13 -0.2(7) . . . . ?
O2 C11 C12 C13 179.1(4) . . . . ?
C11 C12 C13 C14 -1.3(7) . . . . ?
C12 C13 C14 C15 1.6(8) . . . . ?
C13 C14 C15 C16 -0.5(7) . . . . ?
C12 C11 C16 C15 1.3(7) . . . . ?
O2 C11 C16 C15 -178.0(4) . . . . ?
C14 C15 C16 C11 -1.0(7) . . . . ?
C22 N17 C18 C19 0.6(5) . . . . ?
Pt N17 C18 C19 -170.4(3) . . . . ?
N17 C18 C19 C20 2.5(6) . . . . ?
C18 C19 C20 C21 -2.8(6) . . . . ?
C19 C20 C21 C22 0.1(6) . . . . ?
C18 N17 C22 C21 -3.4(5) . . . . ?
Pt N17 C22 C21 168.1(3) . . . . ?
C18 N17 C22 C23 175.3(3) . . . . ?
Pt N17 C22 C23 -13.2(4) . . . . ?
C20 C21 C22 N17 3.1(6) . . . . ?
C20 C21 C22 C23 -175.4(4) . . . . ?
N17 C22 C23 C28 -165.4(4) . . . . ?
C21 C22 C23 C28 13.2(6) . . . . ?
N17 C22 C23 C24 6.5(5) . . . . ?
C21 C22 C23 C24 -174.9(4) . . . . ?
C28 C23 C24 C25 2.0(5) . . . . ?
C22 C23 C24 C25 -170.5(3) . . . . ?
C28 C23 C24 Pt 175.3(3) . . . . ?
C22 C23 C24 Pt 2.8(4) . . . . ?
N17 Pt C24 C25 165.0(3) . . . . ?
N1 Pt C24 C25 -23.0(3) . . . . ?
O1 Pt C24 C25 91.3(13) . . . . ?
N17 Pt C24 C23 -7.5(3) . . . . ?
N1 Pt C24 C23 164.5(3) . . . . ?
O1 Pt C24 C23 -81.2(13) . . . . ?
C23 C24 C25 C26 -3.3(5) . . . . ?
Pt C24 C25 C26 -175.6(3) . . . . ?
C24 C25 C26 F1 -178.3(3) . . . . ?
C24 C25 C26 C27 2.8(6) . . . . ?
F1 C26 C27 C28 -179.7(3) . . . . ?
C25 C26 C27 C28 -0.8(6) . . . . ?
C26 C27 C28 F2 177.5(3) . . . . ?
C26 C27 C28 C23 -0.6(6) . . . . ?
C24 C23 C28 F2 -178.1(3) . . . . ?
C22 C23 C28 F2 -6.5(6) . . . . ?
C24 C23 C28 C27 0.0(6) . . . . ?
C22 C23 C28 C27 171.6(4) . . . . ?

# The following lines are used to test the character set of files sent by
# network email or other means. They are not part of the CIF data set
# abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ0123456789
# !@#$%^&*()_+{}:"~<>?|\-=[];'`,./

# END of CIF
_chemical_name_common            PtOPh
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: CH2Cl2/CH3OH'
_exptl_crystal_preparation       Luminescent
_database_code_depnum_ccdc_archive 'CCDC 1010105'
