# Supplementary Material (ESI) for Chemical Communications
# This journal is (c) The Royal Society of Chemistry 2010

data_global
_journal_name_full               Chem.Commun.

_journal_coden_Cambridge         0182

_publ_contact_author_name        'Zijian Guo'
_publ_contact_author_email       ZGUO@NJU.EDU.CN

_publ_section_title              
;
Platinum(II) Compounds Bearing Bone-targeting Group:
Synthesis, Crystal Structure and Antitumor Activity
;
loop_
_publ_author_name
'Zijian Guo'
'Yizhi Li'
'Miaoxin Lin'
'Zuqin Xue'
'Junfeng Zhang'
;
Jianhui Zhu
;

# Attachment '3-CCDC-733597-280603a.cif'

data_280603a_0m
_database_code_depnum_ccdc_archive 'CCDC 733597'
#TrackingRef '3-CCDC-733597-280603a.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
cis-Dichloro-(tetraethyl(2-(pyridin-2-yl)ethylamino)
methylenediphosphonate-N,N')-platinum(ii)
;
_chemical_name_common            
;
cis-Dichloro-(tetraethyl(2-(pyridin-2-yl)ethylamino)
methylenediphosphonate-N,N')-platinum(ii)
;
_chemical_melting_point          'not measured'
_chemical_formula_moiety         'C16 H30 Cl2 N2 O6 P2 Pt'
_chemical_formula_sum            'C16 H30 Cl2 N2 O6 P2 Pt'
_chemical_formula_weight         674.35

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/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                   8.1843(17)
_cell_length_b                   15.077(3)
_cell_length_c                   20.042(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.245(3)
_cell_angle_gamma                90.00
_cell_volume                     2471.2(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    291(2)
_cell_measurement_reflns_used    2054
_cell_measurement_theta_min      2.67
_cell_measurement_theta_max      25.74

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.16
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.813
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1320
_exptl_absorpt_coefficient_mu    6.056
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.20
_exptl_absorpt_correction_T_max  0.38
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      291(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  ?
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            13273
_diffrn_reflns_av_R_equivalents  0.0412
_diffrn_reflns_av_sigmaI/netI    0.0628
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.03
_diffrn_reflns_theta_max         26.00
_reflns_number_total             4846
_reflns_number_gt                3469
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART (Bruker, 2000)'
_computing_cell_refinement       SMART
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_computing_structure_refinement  SHELXTL
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0515P)^2^] 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         4846
_refine_ls_number_parameters     266
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0699
_refine_ls_R_factor_gt           0.0498
_refine_ls_wR_factor_ref         0.1071
_refine_ls_wR_factor_gt          0.1036
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_restrained_S_all      1.048
_refine_ls_shift/su_max          0.000
_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
C1 C 0.3506(10) 0.4049(6) -0.0764(4) 0.058(2) Uani 1 1 d . . .
H1 H 0.2399 0.4144 -0.0702 0.069 Uiso 1 1 calc R . .
C2 C 0.4476(10) 0.4759(5) -0.0862(4) 0.056(2) Uani 1 1 d . . .
H2 H 0.4046 0.5330 -0.0879 0.067 Uiso 1 1 calc R . .
C3 C 0.6160(11) 0.4609(6) -0.0935(4) 0.064(2) Uani 1 1 d . . .
H3 H 0.6860 0.5087 -0.0992 0.076 Uiso 1 1 calc R . .
C4 C 0.6780(9) 0.3747(6) -0.0923(4) 0.0562(19) Uani 1 1 d . . .
H4 H 0.7882 0.3638 -0.0984 0.067 Uiso 1 1 calc R . .
C5 C 0.5694(8) 0.3055(4) -0.0815(3) 0.0415(15) Uani 1 1 d . . .
C6 C 0.6251(8) 0.2108(4) -0.0756(3) 0.0385(14) Uani 1 1 d . . .
H6A H 0.7412 0.2073 -0.0832 0.046 Uiso 1 1 calc R . .
H6B H 0.5676 0.1751 -0.1092 0.046 Uiso 1 1 calc R . .
C7 C 0.5914(8) 0.1740(5) -0.0054(3) 0.0399(15) Uani 1 1 d . . .
H7A H 0.6544 0.1203 0.0026 0.048 Uiso 1 1 calc R . .
H7B H 0.6249 0.2172 0.0283 0.048 Uiso 1 1 calc R . .
C8 C 0.3587(8) 0.1548(4) 0.0713(3) 0.0357(13) Uani 1 1 d . . .
H8 H 0.2433 0.1373 0.0687 0.043 Uiso 1 1 calc R . .
C9 C 0.7669(11) 0.0986(6) 0.1621(4) 0.064(2) Uani 1 1 d . . .
H9A H 0.8090 0.1246 0.1220 0.076 Uiso 1 1 calc R . .
H9B H 0.7858 0.0351 0.1608 0.076 Uiso 1 1 calc R . .
C10 C 0.8536(11) 0.1385(6) 0.2235(4) 0.063(2) Uani 1 1 d . . .
H10A H 0.7851 0.1828 0.2424 0.094 Uiso 1 1 calc R . .
H10B H 0.9545 0.1651 0.2111 0.094 Uiso 1 1 calc R . .
H10C H 0.8760 0.0927 0.2559 0.094 Uiso 1 1 calc R . .
C11 C 0.2288(12) -0.0121(6) 0.1826(4) 0.065(2) Uani 1 1 d . . .
H11A H 0.2611 -0.0668 0.1614 0.078 Uiso 1 1 calc R . .
H11B H 0.1262 0.0073 0.1614 0.078 Uiso 1 1 calc R . .
C12 C 0.2064(12) -0.0279(6) 0.2557(4) 0.071(3) Uani 1 1 d . . .
H12A H 0.2777 0.0106 0.2815 0.107 Uiso 1 1 calc R . .
H12B H 0.2322 -0.0886 0.2663 0.107 Uiso 1 1 calc R . .
H12C H 0.0949 -0.0160 0.2660 0.107 Uiso 1 1 calc R . .
C13 C 0.3770(12) 0.2770(5) 0.2430(4) 0.062(2) Uani 1 1 d . . .
H13A H 0.4948 0.2807 0.2399 0.075 Uiso 1 1 calc R . .
H13B H 0.3538 0.2372 0.2794 0.075 Uiso 1 1 calc R . .
C14 C 0.3103(11) 0.3679(5) 0.2580(4) 0.061(2) Uani 1 1 d . . .
H14A H 0.3377 0.4082 0.2231 0.091 Uiso 1 1 calc R . .
H14B H 0.3572 0.3886 0.2998 0.091 Uiso 1 1 calc R . .
H14C H 0.1936 0.3647 0.2606 0.091 Uiso 1 1 calc R . .
C15 C 0.0443(8) 0.2983(5) 0.0840(4) 0.0503(18) Uani 1 1 d . . .
H15A H 0.0253 0.2809 0.1296 0.060 Uiso 1 1 calc R . .
H15B H 0.0128 0.2496 0.0545 0.060 Uiso 1 1 calc R . .
C16 C -0.0531(11) 0.3824(6) 0.0652(4) 0.064(2) Uani 1 1 d . . .
H16A H 0.0081 0.4338 0.0795 0.096 Uiso 1 1 calc R . .
H16B H -0.1559 0.3815 0.0867 0.096 Uiso 1 1 calc R . .
H16C H -0.0722 0.3845 0.0176 0.096 Uiso 1 1 calc R . .
Cl1 Cl 0.0712(3) 0.10448(14) -0.04669(10) 0.0591(5) Uani 1 1 d . . .
Cl2 Cl 0.0637(2) 0.28553(14) -0.13731(10) 0.0574(5) Uani 1 1 d . . .
N1 N 0.4073(7) 0.3208(4) -0.0754(3) 0.0446(13) Uani 1 1 d . . .
N2 N 0.4108(7) 0.1541(4) -0.0005(2) 0.0426(13) Uani 1 1 d . . .
H2A H 0.4013 0.0963 -0.0130 0.051 Uiso 1 1 calc R . .
O1 O 0.5088(7) -0.0046(3) 0.0814(2) 0.0532(13) Uani 1 1 d . . .
O2 O 0.5967(7) 0.1160(4) 0.1651(3) 0.0616(15) Uani 1 1 d . . .
O3 O 0.3344(8) 0.0449(4) 0.1753(3) 0.0635(15) Uani 1 1 d . . .
O4 O 0.5141(6) 0.3131(3) 0.1063(3) 0.0529(12) Uani 1 1 d . . .
O5 O 0.3073(7) 0.2410(4) 0.1815(2) 0.0609(15) Uani 1 1 d . . .
O6 O 0.2169(6) 0.3218(3) 0.0764(2) 0.0531(13) Uani 1 1 d . . .
P1 P 0.3592(2) 0.26505(12) 0.11001(9) 0.0432(4) Uani 1 1 d . . .
P2 P 0.4597(2) 0.06903(12) 0.12232(8) 0.0426(4) Uani 1 1 d . . .
Pt1 Pt 0.24879(4) 0.21967(2) -0.063753(13) 0.05111(12) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
C1 0.046(5) 0.067(5) 0.059(4) 0.003(4) 0.005(4) 0.016(4)
C2 0.062(6) 0.040(4) 0.066(5) 0.013(3) 0.010(4) 0.009(3)
C3 0.069(6) 0.055(5) 0.066(5) 0.021(4) 0.003(4) -0.011(4)
C4 0.036(4) 0.069(5) 0.064(4) 0.011(4) 0.007(4) 0.002(4)
C5 0.035(4) 0.047(4) 0.042(3) 0.000(3) -0.005(3) 0.006(3)
C6 0.034(3) 0.039(3) 0.043(3) 0.005(3) 0.000(3) 0.003(3)
C7 0.038(4) 0.044(4) 0.038(3) 0.006(3) -0.001(3) 0.012(3)
C8 0.036(3) 0.035(3) 0.036(3) 0.003(3) 0.001(3) 0.001(3)
C9 0.052(5) 0.076(6) 0.061(4) -0.013(4) -0.022(4) -0.013(4)
C10 0.060(5) 0.063(5) 0.064(5) -0.014(4) -0.017(4) -0.009(4)
C11 0.065(6) 0.063(5) 0.066(5) 0.012(4) 0.006(4) 0.014(5)
C12 0.060(6) 0.084(6) 0.070(5) 0.015(5) 0.018(5) -0.012(5)
C13 0.069(6) 0.060(5) 0.056(4) -0.011(4) -0.023(4) -0.001(4)
C14 0.062(5) 0.058(5) 0.062(5) -0.012(4) -0.007(4) 0.006(4)
C15 0.024(3) 0.061(5) 0.065(4) 0.006(4) 0.006(3) 0.006(3)
C16 0.059(5) 0.068(5) 0.063(5) -0.012(4) -0.010(4) 0.025(4)
Cl1 0.0410(10) 0.0726(13) 0.0635(11) 0.0073(10) -0.0025(9) 0.0041(9)
Cl2 0.0359(9) 0.0670(12) 0.0689(11) 0.0074(10) -0.0024(8) 0.0046(8)
N1 0.042(3) 0.049(3) 0.042(3) 0.006(3) -0.003(2) 0.009(3)
N2 0.060(4) 0.034(3) 0.035(3) -0.003(2) 0.002(3) -0.005(3)
O1 0.069(4) 0.037(3) 0.053(3) 0.000(2) -0.017(2) 0.016(2)
O2 0.060(4) 0.058(3) 0.065(3) -0.020(3) -0.024(3) 0.013(3)
O3 0.068(4) 0.066(4) 0.057(3) 0.016(3) 0.010(3) -0.005(3)
O4 0.050(3) 0.046(3) 0.064(3) -0.005(2) 0.010(2) -0.012(2)
O5 0.060(4) 0.073(4) 0.051(3) -0.008(3) 0.019(3) -0.020(3)
O6 0.047(3) 0.052(3) 0.062(3) -0.004(2) 0.019(2) 0.009(2)
P1 0.0403(10) 0.0418(10) 0.0478(9) -0.0024(7) 0.0059(8) -0.0024(8)
P2 0.0467(11) 0.0405(9) 0.0399(9) 0.0019(7) -0.0077(8) 0.0000(8)
Pt1 0.0586(2) 0.05451(19) 0.03991(16) 0.00732(13) -0.00231(12) 0.00441(15)

_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
C1 N1 1.351(10) . ?
C1 C2 1.352(12) . ?
C1 H1 0.9300 . ?
C2 C3 1.410(12) . ?
C2 H2 0.9300 . ?
C3 C4 1.395(12) . ?
C3 H3 0.9300 . ?
C4 C5 1.392(10) . ?
C4 H4 0.9300 . ?
C5 N1 1.357(9) . ?
C5 C6 1.503(9) . ?
C6 C7 1.546(8) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 N2 1.515(8) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 N2 1.518(7) . ?
C8 P2 1.826(6) . ?
C8 P1 1.833(6) . ?
C8 H8 0.9800 . ?
C9 O2 1.421(10) . ?
C9 C10 1.521(10) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 O3 1.232(10) . ?
C11 C12 1.504(11) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 O5 1.443(9) . ?
C13 C14 1.510(11) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 O6 1.470(8) . ?
C15 C16 1.537(10) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
Cl1 Pt1 2.299(2) . ?
Cl2 Pt1 2.2975(19) . ?
N1 Pt1 2.021(6) . ?
N2 Pt1 2.052(5) . ?
N2 H2A 0.9100 . ?
O1 P2 1.447(5) . ?
O2 P2 1.555(5) . ?
O3 P2 1.548(6) . ?
O4 P1 1.464(5) . ?
O5 P1 1.553(5) . ?
O6 P1 1.575(5) . ?

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 C1 C2 122.9(8) . . ?
N1 C1 H1 118.6 . . ?
C2 C1 H1 118.6 . . ?
C1 C2 C3 118.0(7) . . ?
C1 C2 H2 121.0 . . ?
C3 C2 H2 121.0 . . ?
C4 C3 C2 120.3(7) . . ?
C4 C3 H3 119.9 . . ?
C2 C3 H3 119.9 . . ?
C5 C4 C3 117.8(7) . . ?
C5 C4 H4 121.1 . . ?
C3 C4 H4 121.1 . . ?
N1 C5 C4 121.3(7) . . ?
N1 C5 C6 116.6(6) . . ?
C4 C5 C6 122.1(6) . . ?
C5 C6 C7 110.4(5) . . ?
C5 C6 H6A 109.6 . . ?
C7 C6 H6A 109.6 . . ?
C5 C6 H6B 109.6 . . ?
C7 C6 H6B 109.6 . . ?
H6A C6 H6B 108.1 . . ?
N2 C7 C6 109.8(5) . . ?
N2 C7 H7A 109.7 . . ?
C6 C7 H7A 109.7 . . ?
N2 C7 H7B 109.7 . . ?
C6 C7 H7B 109.7 . . ?
H7A C7 H7B 108.2 . . ?
N2 C8 P2 112.8(4) . . ?
N2 C8 P1 114.3(4) . . ?
P2 C8 P1 114.3(3) . . ?
N2 C8 H8 104.7 . . ?
P2 C8 H8 104.7 . . ?
P1 C8 H8 104.7 . . ?
O2 C9 C10 108.7(7) . . ?
O2 C9 H9A 110.0 . . ?
C10 C9 H9A 110.0 . . ?
O2 C9 H9B 110.0 . . ?
C10 C9 H9B 110.0 . . ?
H9A C9 H9B 108.3 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
O3 C11 C12 109.9(8) . . ?
O3 C11 H11A 109.7 . . ?
C12 C11 H11A 109.7 . . ?
O3 C11 H11B 109.7 . . ?
C12 C11 H11B 109.7 . . ?
H11A C11 H11B 108.2 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
O5 C13 C14 112.2(7) . . ?
O5 C13 H13A 109.2 . . ?
C14 C13 H13A 109.2 . . ?
O5 C13 H13B 109.2 . . ?
C14 C13 H13B 109.2 . . ?
H13A C13 H13B 107.9 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
O6 C15 C16 105.5(6) . . ?
O6 C15 H15A 110.6 . . ?
C16 C15 H15A 110.6 . . ?
O6 C15 H15B 110.6 . . ?
C16 C15 H15B 110.6 . . ?
H15A C15 H15B 108.8 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C1 N1 C5 119.6(7) . . ?
C1 N1 Pt1 119.2(5) . . ?
C5 N1 Pt1 121.2(5) . . ?
C7 N2 C8 111.8(5) . . ?
C7 N2 Pt1 118.2(4) . . ?
C8 N2 Pt1 112.6(4) . . ?
C7 N2 H2A 104.2 . . ?
C8 N2 H2A 104.2 . . ?
Pt1 N2 H2A 104.2 . . ?
C9 O2 P2 125.4(5) . . ?
C11 O3 P2 137.1(6) . . ?
C13 O5 P1 125.9(5) . . ?
C15 O6 P1 121.5(5) . . ?
O4 P1 O5 115.5(3) . . ?
O4 P1 O6 109.7(3) . . ?
O5 P1 O6 107.3(3) . . ?
O4 P1 C8 114.5(3) . . ?
O5 P1 C8 100.5(3) . . ?
O6 P1 C8 108.8(3) . . ?
O1 P2 O3 114.5(3) . . ?
O1 P2 O2 116.9(3) . . ?
O3 P2 O2 102.3(3) . . ?
O1 P2 C8 110.9(3) . . ?
O3 P2 C8 104.6(3) . . ?
O2 P2 C8 106.6(3) . . ?
N1 Pt1 N2 91.9(2) . . ?
N1 Pt1 Cl2 90.58(16) . . ?
N2 Pt1 Cl2 176.77(16) . . ?
N1 Pt1 Cl1 178.01(15) . . ?
N2 Pt1 Cl1 86.62(16) . . ?
Cl2 Pt1 Cl1 90.99(7) . . ?

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
N1 C1 C2 C3 -1.9(12) . . . . ?
C1 C2 C3 C4 1.5(12) . . . . ?
C2 C3 C4 C5 -2.0(12) . . . . ?
C3 C4 C5 N1 2.9(11) . . . . ?
C3 C4 C5 C6 -176.6(7) . . . . ?
N1 C5 C6 C7 -62.4(7) . . . . ?
C4 C5 C6 C7 117.1(7) . . . . ?
C5 C6 C7 N2 75.7(7) . . . . ?
C2 C1 N1 C5 2.8(11) . . . . ?
C2 C1 N1 Pt1 -177.8(6) . . . . ?
C4 C5 N1 C1 -3.2(10) . . . . ?
C6 C5 N1 C1 176.3(6) . . . . ?
C4 C5 N1 Pt1 177.3(5) . . . . ?
C6 C5 N1 Pt1 -3.1(8) . . . . ?
C6 C7 N2 C8 -156.5(5) . . . . ?
C6 C7 N2 Pt1 -23.4(6) . . . . ?
P2 C8 N2 C7 -63.0(6) . . . . ?
P1 C8 N2 C7 69.9(6) . . . . ?
P2 C8 N2 Pt1 161.2(3) . . . . ?
P1 C8 N2 Pt1 -66.0(5) . . . . ?
C10 C9 O2 P2 -164.6(6) . . . . ?
C12 C11 O3 P2 152.2(7) . . . . ?
C14 C13 O5 P1 79.6(9) . . . . ?
C16 C15 O6 P1 161.9(5) . . . . ?
C13 O5 P1 O4 14.0(8) . . . . ?
C13 O5 P1 O6 -108.7(7) . . . . ?
C13 O5 P1 C8 137.7(7) . . . . ?
C15 O6 P1 O4 -168.1(5) . . . . ?
C15 O6 P1 O5 -41.9(6) . . . . ?
C15 O6 P1 C8 65.9(6) . . . . ?
N2 C8 P1 O4 -53.7(5) . . . . ?
P2 C8 P1 O4 78.4(4) . . . . ?
N2 C8 P1 O5 -178.1(5) . . . . ?
P2 C8 P1 O5 -46.0(4) . . . . ?
N2 C8 P1 O6 69.4(5) . . . . ?
P2 C8 P1 O6 -158.5(3) . . . . ?
C11 O3 P2 O1 -25.3(10) . . . . ?
C11 O3 P2 O2 -152.7(9) . . . . ?
C11 O3 P2 C8 96.2(9) . . . . ?
C9 O2 P2 O1 6.8(8) . . . . ?
C9 O2 P2 O3 132.6(7) . . . . ?
C9 O2 P2 C8 -117.9(7) . . . . ?
N2 C8 P2 O1 -25.7(6) . . . . ?
P1 C8 P2 O1 -158.5(4) . . . . ?
N2 C8 P2 O3 -149.6(5) . . . . ?
P1 C8 P2 O3 77.5(4) . . . . ?
N2 C8 P2 O2 102.5(5) . . . . ?
P1 C8 P2 O2 -30.3(4) . . . . ?
C1 N1 Pt1 N2 -139.2(5) . . . . ?
C5 N1 Pt1 N2 40.3(5) . . . . ?
C1 N1 Pt1 Cl2 42.9(5) . . . . ?
C5 N1 Pt1 Cl2 -137.6(5) . . . . ?
C7 N2 Pt1 N1 -24.0(4) . . . . ?
C8 N2 Pt1 N1 108.8(4) . . . . ?
C7 N2 Pt1 Cl1 157.3(4) . . . . ?
C8 N2 Pt1 Cl1 -70.0(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.026
_refine_diff_density_min         -1.453
_refine_diff_density_rms         0.127

# Attachment '7-CCDC-733598-281111D.cif'

data_281111d
_database_code_depnum_ccdc_archive 'CCDC 733598'
#TrackingRef '7-CCDC-733598-281111D.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
Chloro-(2-(pyridin-2-ylmethylamino)ethane-1,1-diyldiphosphonic acid)
-platinum(ii)deuterium oxide solvate
;
_chemical_name_common            
;
Chloro-(2-(pyridin-2-ylmethylamino)ethane-1,1-
diyldiphosphonic acid) -platinum(ii)deuterium oxide solvate
;
_chemical_melting_point          ?
_chemical_formula_moiety         'C8 H9 Cl D4 N2 O6 P2 Pt, D2 O'
_chemical_formula_sum            'C8 H9 Cl D6 N2 O7 P2 Pt'
_chemical_formula_weight         549.74

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
D D 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/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                   11.2339(10)
_cell_length_b                   16.9052(15)
_cell_length_c                   7.7957(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 94.5290(10)
_cell_angle_gamma                90.00
_cell_volume                     1475.9(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    291(2)
_cell_measurement_reflns_used    2584
_cell_measurement_theta_min      2.18
_cell_measurement_theta_max      25.39

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.474
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1032
_exptl_absorpt_coefficient_mu    9.937
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.09
_exptl_absorpt_correction_T_max  0.14
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      291(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker Smart Aepex CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            7877
_diffrn_reflns_av_R_equivalents  0.0366
_diffrn_reflns_av_sigmaI/netI    0.0500
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_theta_min         1.82
_diffrn_reflns_theta_max         26.00
_reflns_number_total             2904
_reflns_number_gt                2275
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART (Bruker, 2000)'
_computing_cell_refinement       SMART
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_computing_structure_refinement  SHELXTL
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0356P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         2904
_refine_ls_number_parameters     208
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0509
_refine_ls_R_factor_gt           0.0374
_refine_ls_wR_factor_ref         0.0732
_refine_ls_wR_factor_gt          0.0712
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_restrained_S_all      1.038
_refine_ls_shift/su_max          0.000
_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
C1 C 0.2880(7) 0.1974(5) 0.2216(10) 0.0417(17) Uani 1 1 d . . .
H1 H 0.3115 0.1448 0.2302 0.050 Uiso 1 1 calc R . .
C2 C 0.1771(6) 0.2156(4) 0.1585(10) 0.0382(17) Uani 1 1 d . . .
H2 H 0.1241 0.1752 0.1248 0.046 Uiso 1 1 calc R . .
C3 C 0.1394(6) 0.2946(5) 0.1422(9) 0.0377(16) Uani 1 1 d . . .
H3 H 0.0617 0.3074 0.1016 0.045 Uiso 1 1 calc R . .
C4 C 0.2240(6) 0.3538(5) 0.1900(10) 0.0391(16) Uani 1 1 d . . .
H4 H 0.2033 0.4067 0.1744 0.047 Uiso 1 1 calc R . .
C5 C 0.3358(6) 0.3347(4) 0.2587(9) 0.0383(16) Uani 1 1 d . . .
C6 C 0.4273(6) 0.3907(5) 0.3385(10) 0.0407(17) Uani 1 1 d . . .
H6A H 0.4171 0.4431 0.2891 0.049 Uiso 1 1 calc R . .
H6B H 0.4222 0.3941 0.4619 0.049 Uiso 1 1 calc R . .
C7 C 0.6318(6) 0.4158(4) 0.3866(10) 0.0375(16) Uani 1 1 d . . .
H7A H 0.6184 0.4690 0.3426 0.045 Uiso 1 1 calc R . .
H7B H 0.6275 0.4164 0.5103 0.045 Uiso 1 1 calc R . .
C8 C 0.7473(6) 0.3855(4) 0.3417(9) 0.0349(16) Uani 1 1 d . . .
H8 H 0.7323 0.3656 0.2239 0.042 Uiso 1 1 calc R . .
Cl1 Cl 0.53667(14) 0.09973(8) 0.38628(18) 0.0279(3) Uani 1 1 d . . .
N1 N 0.3697(5) 0.2580(4) 0.2752(8) 0.0407(14) Uani 1 1 d . . .
N2 N 0.5383(5) 0.3571(3) 0.2993(8) 0.0326(12) Uani 1 1 d . . .
O1 O 0.7122(4) 0.2419(3) 0.4595(7) 0.0412(12) Uani 1 1 d . . .
O2 O 0.8581(4) 0.3328(3) 0.6362(6) 0.0413(12) Uani 1 1 d . . .
O3 O 0.9167(4) 0.2624(3) 0.3748(7) 0.0387(11) Uani 1 1 d . . .
O4 O 0.8367(4) 0.5206(3) 0.4813(7) 0.0402(12) Uani 1 1 d . . .
O5 O 0.9931(4) 0.4444(3) 0.3170(6) 0.0374(11) Uani 1 1 d . . .
O6 O 0.8123(5) 0.5126(3) 0.1706(7) 0.0448(13) Uani 1 1 d . . .
O7 O 0.8587(6) 0.4532(4) 0.8802(7) 0.0498(14) Uani 1 1 d . . .
D2 D 0.543(9) 0.361(6) 0.183(16) 0.080 Uiso 1 1 d . . .
D3 D 0.906(9) 0.206(7) 0.372(14) 0.080 Uiso 1 1 d . . .
D4 D 0.810(9) 0.500(6) 0.570(15) 0.080 Uiso 1 1 d . . .
D5 D 1.017(10) 0.399(6) 0.353(14) 0.080 Uiso 1 1 d . . .
D7A D 0.858(10) 0.416(6) 0.807(15) 0.080 Uiso 1 1 d . . .
D7B D 0.788(10) 0.460(7) 0.910(15) 0.080 Uiso 1 1 d . . .
P1 P 0.81099(16) 0.30151(11) 0.4640(2) 0.0330(4) Uani 1 1 d . . .
P2 P 0.85804(14) 0.46680(11) 0.3251(2) 0.0316(4) Uani 1 1 d . . .
Pt1 Pt 0.54037(2) 0.243630(14) 0.36057(3) 0.03036(10) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
C1 0.035(4) 0.040(4) 0.050(4) -0.001(3) -0.001(3) -0.012(3)
C2 0.028(4) 0.037(4) 0.051(4) -0.002(3) 0.012(3) -0.016(3)
C3 0.016(3) 0.058(4) 0.039(4) -0.003(3) 0.003(3) 0.010(3)
C4 0.032(4) 0.043(4) 0.043(4) -0.006(3) 0.007(3) 0.001(3)
C5 0.030(3) 0.049(4) 0.037(4) -0.007(3) 0.003(3) -0.010(3)
C6 0.036(4) 0.048(4) 0.037(4) -0.023(3) -0.001(3) 0.006(3)
C7 0.043(4) 0.027(3) 0.042(4) -0.001(3) 0.002(3) -0.013(3)
C8 0.040(4) 0.039(4) 0.026(4) -0.002(3) 0.000(3) -0.018(3)
Cl1 0.0340(8) 0.0275(7) 0.0217(7) -0.0027(5) -0.0013(6) -0.0016(6)
N1 0.025(3) 0.047(4) 0.049(3) -0.008(3) -0.004(2) -0.006(3)
N2 0.032(3) 0.030(3) 0.035(3) -0.010(2) -0.004(2) 0.002(2)
O1 0.029(2) 0.048(3) 0.046(3) 0.017(2) 0.001(2) 0.001(2)
O2 0.044(3) 0.043(3) 0.034(3) 0.008(2) -0.013(2) 0.016(2)
O3 0.036(2) 0.031(2) 0.050(3) 0.007(2) 0.013(2) 0.012(2)
O4 0.037(3) 0.047(3) 0.037(3) -0.014(2) 0.004(2) -0.005(2)
O5 0.038(3) 0.047(3) 0.025(2) -0.015(2) -0.007(2) 0.005(2)
O6 0.046(3) 0.051(3) 0.035(3) 0.010(2) -0.011(2) 0.005(2)
O7 0.072(4) 0.045(3) 0.030(3) 0.003(2) -0.006(3) 0.012(3)
P1 0.0295(9) 0.0366(9) 0.0324(8) -0.0045(7) -0.0019(7) 0.0030(7)
P2 0.0253(8) 0.0384(9) 0.0315(9) -0.0016(7) 0.0048(7) -0.0059(7)
Pt1 0.03012(14) 0.02839(14) 0.03145(14) -0.00022(11) -0.00470(9) -0.00266(11)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.338(10) . ?
C1 N1 1.416(9) . ?
C1 H1 0.9300 . ?
C2 C3 1.405(10) . ?
C2 H2 0.9300 . ?
C3 C4 1.409(10) . ?
C3 H3 0.9300 . ?
C4 C5 1.365(10) . ?
C4 H4 0.9300 . ?
C5 N1 1.354(9) . ?
C5 C6 1.496(9) . ?
C6 N2 1.426(9) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 C8 1.463(11) . ?
C7 N2 1.561(8) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 P1 1.824(7) . ?
C8 P2 1.866(6) . ?
C8 H8 0.9800 . ?
Cl1 Pt1 2.4415(14) . ?
N1 Pt1 1.994(5) . ?
N2 Pt1 1.976(6) . ?
N2 D2 0.91(12) . ?
O1 P1 1.497(5) . ?
O1 Pt1 2.022(5) . ?
O2 P1 1.500(5) . ?
O3 P1 1.568(5) . ?
O3 D3 0.96(11) . ?
O4 P2 1.554(5) . ?
O4 D4 0.85(11) . ?
O5 P2 1.570(5) . ?
O5 D5 0.85(11) . ?
O6 P2 1.489(5) . ?
O7 D7A 0.85(11) . ?
O7 D7B 0.85(11) . ?

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
C2 C1 N1 120.4(7) . . ?
C2 C1 H1 119.8 . . ?
N1 C1 H1 119.8 . . ?
C1 C2 C3 121.1(6) . . ?
C1 C2 H2 119.5 . . ?
C3 C2 H2 119.5 . . ?
C2 C3 C4 117.3(6) . . ?
C2 C3 H3 121.3 . . ?
C4 C3 H3 121.3 . . ?
C5 C4 C3 121.1(7) . . ?
C5 C4 H4 119.5 . . ?
C3 C4 H4 119.5 . . ?
N1 C5 C4 120.4(6) . . ?
N1 C5 C6 112.8(6) . . ?
C4 C5 C6 126.4(7) . . ?
N2 C6 C5 104.0(5) . . ?
N2 C6 H6A 111.0 . . ?
C5 C6 H6A 111.0 . . ?
N2 C6 H6B 111.0 . . ?
C5 C6 H6B 111.0 . . ?
H6A C6 H6B 109.0 . . ?
C8 C7 N2 104.6(5) . . ?
C8 C7 H7A 110.8 . . ?
N2 C7 H7A 110.8 . . ?
C8 C7 H7B 110.8 . . ?
N2 C7 H7B 110.8 . . ?
H7A C7 H7B 108.9 . . ?
C7 C8 P1 117.8(5) . . ?
C7 C8 P2 111.5(5) . . ?
P1 C8 P2 111.9(4) . . ?
C7 C8 H8 104.7 . . ?
P1 C8 H8 104.7 . . ?
P2 C8 H8 104.7 . . ?
C5 N1 C1 119.6(6) . . ?
C5 N1 Pt1 113.8(4) . . ?
C1 N1 Pt1 126.5(5) . . ?
C6 N2 C7 102.9(5) . . ?
C6 N2 Pt1 109.2(5) . . ?
C7 N2 Pt1 121.1(4) . . ?
C6 N2 D2 108(6) . . ?
C7 N2 D2 108(7) . . ?
Pt1 N2 D2 108(7) . . ?
P1 O1 Pt1 133.1(3) . . ?
P1 O3 D3 110(6) . . ?
P2 O4 D4 119(7) . . ?
P2 O5 D5 119(8) . . ?
D7A O7 D7B 109(10) . . ?
O1 P1 O2 117.8(3) . . ?
O1 P1 O3 107.0(3) . . ?
O2 P1 O3 108.6(3) . . ?
O1 P1 C8 104.6(3) . . ?
O2 P1 C8 106.8(3) . . ?
O3 P1 C8 112.1(3) . . ?
O6 P2 O4 105.4(3) . . ?
O6 P2 O5 111.4(3) . . ?
O4 P2 O5 112.5(3) . . ?
O6 P2 C8 104.5(3) . . ?
O4 P2 C8 103.4(3) . . ?
O5 P2 C8 118.5(3) . . ?
N2 Pt1 N1 79.0(2) . . ?
N2 Pt1 O1 95.7(2) . . ?
N1 Pt1 O1 173.2(2) . . ?
N2 Pt1 Cl1 170.70(18) . . ?
N1 Pt1 Cl1 97.27(18) . . ?
O1 Pt1 Cl1 88.64(15) . . ?

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
N1 C1 C2 C3 0.6(12) . . . . ?
C1 C2 C3 C4 1.9(12) . . . . ?
C2 C3 C4 C5 -3.8(11) . . . . ?
C3 C4 C5 N1 3.1(11) . . . . ?
C3 C4 C5 C6 -170.2(7) . . . . ?
N1 C5 C6 N2 38.6(9) . . . . ?
C4 C5 C6 N2 -147.7(8) . . . . ?
N2 C7 C8 P1 -79.1(6) . . . . ?
N2 C7 C8 P2 149.4(5) . . . . ?
C4 C5 N1 C1 -0.4(11) . . . . ?
C6 C5 N1 C1 173.8(7) . . . . ?
C4 C5 N1 Pt1 175.3(6) . . . . ?
C6 C5 N1 Pt1 -10.6(8) . . . . ?
C2 C1 N1 C5 -1.4(11) . . . . ?
C2 C1 N1 Pt1 -176.5(6) . . . . ?
C5 C6 N2 C7 -179.1(6) . . . . ?
C5 C6 N2 Pt1 -49.2(7) . . . . ?
C8 C7 N2 C6 -177.2(6) . . . . ?
C8 C7 N2 Pt1 60.7(7) . . . . ?
Pt1 O1 P1 O2 115.4(4) . . . . ?
Pt1 O1 P1 O3 -122.1(4) . . . . ?
Pt1 O1 P1 C8 -3.0(5) . . . . ?
C7 C8 P1 O1 50.4(5) . . . . ?
P2 C8 P1 O1 -178.3(4) . . . . ?
C7 C8 P1 O2 -75.3(5) . . . . ?
P2 C8 P1 O2 56.0(5) . . . . ?
C7 C8 P1 O3 165.9(5) . . . . ?
P2 C8 P1 O3 -62.8(4) . . . . ?
C7 C8 P2 O6 -68.1(5) . . . . ?
P1 C8 P2 O6 157.5(4) . . . . ?
C7 C8 P2 O4 42.0(5) . . . . ?
P1 C8 P2 O4 -92.4(4) . . . . ?
C7 C8 P2 O5 167.2(4) . . . . ?
P1 C8 P2 O5 32.8(5) . . . . ?
C6 N2 Pt1 N1 36.2(4) . . . . ?
C7 N2 Pt1 N1 155.2(6) . . . . ?
C6 N2 Pt1 O1 -139.7(4) . . . . ?
C7 N2 Pt1 O1 -20.6(5) . . . . ?
C5 N1 Pt1 N2 -13.7(5) . . . . ?
C1 N1 Pt1 N2 161.6(7) . . . . ?
C5 N1 Pt1 Cl1 174.9(5) . . . . ?
C1 N1 Pt1 Cl1 -9.7(7) . . . . ?
P1 O1 Pt1 N2 -7.7(5) . . . . ?
P1 O1 Pt1 Cl1 164.0(4) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.274
_refine_diff_density_min         -1.291
_refine_diff_density_rms         0.157


# Attachment '2-CCDC-733599-281223a_0m.cif'

data_281223a_0m
_database_code_depnum_ccdc_archive 'CCDC 733599'
#TrackingRef '2-CCDC-733599-281223a_0m.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
cis-Dichloro-(tetraethyl2-(2-(pyridin-2-yl)ethylamino)
ethane-1,1-diyldiphosphonate-N,N')-platinum(ii)
;
_chemical_name_common            
;
cis-Dichloro-(tetraethyl2-(2-(pyridin-2-yl)ethylamino) ethane-
1,1-diyldiphosphonate-N,N')-platinum(ii)
;
_chemical_melting_point          'not measured'
_chemical_formula_moiety         'C17 H32 Cl2 N2 O6 P2 Pt'
_chemical_formula_sum            'C17 H32 Cl2 N2 O6 P2 Pt'
_chemical_formula_weight         688.38

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
Cl Cl 0.1484 0.1585 '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 '
_symmetry_space_group_name_Hall  '-P 1'

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

_cell_length_a                   7.6732(11)
_cell_length_b                   8.831(2)
_cell_length_c                   19.131(2)
_cell_angle_alpha                85.3520(10)
_cell_angle_beta                 79.000(3)
_cell_angle_gamma                69.699(2)
_cell_volume                     1193.3(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    291(2)
_cell_measurement_reflns_used    2051
_cell_measurement_theta_min      2.62
_cell_measurement_theta_max      25.74

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.916
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             676
_exptl_absorpt_coefficient_mu    6.273
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.19
_exptl_absorpt_correction_T_max  0.25
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      291(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker Smart Apex CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            6290
_diffrn_reflns_av_R_equivalents  0.0155
_diffrn_reflns_av_sigmaI/netI    0.0472
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.46
_diffrn_reflns_theta_max         26.00
_reflns_number_total             4516
_reflns_number_gt                3847
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART (Bruker, 2000)'
_computing_cell_refinement       SMART
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_computing_structure_refinement  SHELXTL
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0300P)^2^] 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         4516
_refine_ls_number_parameters     275
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0389
_refine_ls_R_factor_gt           0.0316
_refine_ls_wR_factor_ref         0.0572
_refine_ls_wR_factor_gt          0.0565
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_restrained_S_all      1.056
_refine_ls_shift/su_max          0.000
_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
C1 C 1.1803(6) 0.6279(5) -0.0094(2) 0.0269(9) Uani 1 1 d . . .
H1 H 1.2944 0.5572 0.0012 0.032 Uiso 1 1 calc R . .
C2 C 1.1254(6) 0.6069(5) -0.0733(2) 0.0261(9) Uani 1 1 d . . .
H2 H 1.2026 0.5258 -0.1047 0.031 Uiso 1 1 calc R . .
C3 C 0.9489(6) 0.7131(5) -0.0884(2) 0.0276(9) Uani 1 1 d . . .
H3 H 0.9079 0.7055 -0.1303 0.033 Uiso 1 1 calc R . .
C4 C 0.8397(6) 0.8293(5) -0.0377(2) 0.0243(8) Uani 1 1 d . . .
H4 H 0.7221 0.8984 -0.0457 0.029 Uiso 1 1 calc R . .
C5 C 0.9000(6) 0.8451(5) 0.0239(2) 0.0254(9) Uani 1 1 d . . .
C6 C 0.7830(6) 0.9632(5) 0.0792(2) 0.0280(9) Uani 1 1 d . . .
H6A H 0.6652 1.0265 0.0638 0.034 Uiso 1 1 calc R . .
H6B H 0.8484 1.0363 0.0853 0.034 Uiso 1 1 calc R . .
C7 C 0.7403(6) 0.8786(5) 0.1516(2) 0.0295(9) Uani 1 1 d . . .
H7A H 0.6409 0.9556 0.1832 0.035 Uiso 1 1 calc R . .
H7B H 0.6961 0.7918 0.1440 0.035 Uiso 1 1 calc R . .
C8 C 0.9189(5) 0.6531(5) 0.2240(2) 0.0238(8) Uani 1 1 d . . .
H8A H 1.0322 0.6119 0.2450 0.029 Uiso 1 1 calc R . .
H8B H 0.9281 0.5759 0.1890 0.029 Uiso 1 1 calc R . .
C9 C 0.7487(6) 0.6623(5) 0.2825(2) 0.0253(9) Uani 1 1 d . . .
H9 H 0.6357 0.7125 0.2609 0.030 Uiso 1 1 calc R . .
C10 C 1.0624(6) 0.7020(5) 0.3944(2) 0.0241(8) Uani 1 1 d . . .
H10A H 1.0551 0.8068 0.4093 0.029 Uiso 1 1 calc R . .
H10B H 1.1220 0.6886 0.3447 0.029 Uiso 1 1 calc R . .
C11 C 1.1781(6) 0.5688(5) 0.4397(2) 0.0285(9) Uani 1 1 d . . .
H11A H 1.1108 0.5752 0.4878 0.043 Uiso 1 1 calc R . .
H11B H 1.2973 0.5820 0.4392 0.043 Uiso 1 1 calc R . .
H11C H 1.1987 0.4655 0.4207 0.043 Uiso 1 1 calc R . .
C12 C 0.5030(6) 0.7678(5) 0.4793(2) 0.0259(9) Uani 1 1 d . . .
H12A H 0.6012 0.7745 0.5030 0.031 Uiso 1 1 calc R . .
H12B H 0.5035 0.6575 0.4832 0.031 Uiso 1 1 calc R . .
C13 C 0.3140(6) 0.8813(5) 0.5126(2) 0.0278(9) Uani 1 1 d . . .
H13A H 0.3087 0.9907 0.5018 0.042 Uiso 1 1 calc R . .
H13B H 0.2960 0.8643 0.5633 0.042 Uiso 1 1 calc R . .
H13C H 0.2164 0.8614 0.4940 0.042 Uiso 1 1 calc R . .
C14 C 1.0403(6) 0.1895(5) 0.3057(2) 0.0253(9) Uani 1 1 d . . .
H14A H 1.1146 0.1451 0.2604 0.030 Uiso 1 1 calc R . .
H14B H 0.9353 0.1493 0.3174 0.030 Uiso 1 1 calc R . .
C15 C 1.1597(6) 0.1411(5) 0.3629(2) 0.0245(8) Uani 1 1 d . . .
H15A H 1.2403 0.2050 0.3582 0.037 Uiso 1 1 calc R . .
H15B H 1.2355 0.0289 0.3583 0.037 Uiso 1 1 calc R . .
H15C H 1.0797 0.1584 0.4088 0.037 Uiso 1 1 calc R . .
C16 C 0.5194(6) 0.3544(5) 0.2618(2) 0.0232(8) Uani 1 1 d . . .
H16A H 0.4165 0.4367 0.2897 0.028 Uiso 1 1 calc R . .
H16B H 0.5425 0.2530 0.2883 0.028 Uiso 1 1 calc R . .
C17 C 0.4683(6) 0.3378(5) 0.1903(2) 0.0232(8) Uani 1 1 d . . .
H17A H 0.4168 0.4431 0.1697 0.035 Uiso 1 1 calc R . .
H17B H 0.3765 0.2843 0.1973 0.035 Uiso 1 1 calc R . .
H17C H 0.5794 0.2756 0.1590 0.035 Uiso 1 1 calc R . .
Cl1 Cl 1.46148(15) 0.74748(12) 0.05290(6) 0.0291(2) Uani 1 1 d . . .
Cl2 Cl 1.27774(14) 0.81711(11) 0.22121(5) 0.0242(2) Uani 1 1 d . . .
N3 N 0.9137(5) 0.8110(4) 0.1860(2) 0.0303(8) Uani 1 1 d . . .
H3A H 0.9014 0.8819 0.2201 0.036 Uiso 1 1 calc R . .
N4 N 1.0741(5) 0.7463(4) 0.03709(19) 0.0258(7) Uani 1 1 d . . .
O1 O 0.7604(4) 0.9410(3) 0.32221(14) 0.0231(6) Uani 1 1 d . . .
O2 O 0.5354(4) 0.8185(3) 0.40277(15) 0.0258(6) Uani 1 1 d . . .
O3 O 0.8749(4) 0.6924(3) 0.40306(16) 0.0259(6) Uani 1 1 d . . .
O4 O 0.9696(4) 0.3688(3) 0.30137(15) 0.0255(6) Uani 1 1 d . . .
O5 O 0.6884(4) 0.3992(3) 0.24794(16) 0.0249(6) Uani 1 1 d . . .
O6 O 0.6427(4) 0.4463(3) 0.38139(15) 0.0227(6) Uani 1 1 d . . .
P1 P 0.73154(16) 0.79277(13) 0.35450(6) 0.0255(2) Uani 1 1 d . . .
P2 P 0.75170(16) 0.46135(13) 0.31162(6) 0.0255(2) Uani 1 1 d . . .
Pt1 Pt 1.17114(2) 0.778514(19) 0.121771(9) 0.02469(6) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
C1 0.032(2) 0.026(2) 0.021(2) 0.0002(16) 0.0034(17) -0.0119(18)
C2 0.021(2) 0.031(2) 0.021(2) -0.0004(17) 0.0010(16) -0.0057(17)
C3 0.023(2) 0.024(2) 0.027(2) 0.0057(17) -0.0017(17) 0.0010(16)
C4 0.023(2) 0.026(2) 0.0220(19) -0.0014(16) -0.0059(17) -0.0046(16)
C5 0.020(2) 0.028(2) 0.025(2) 0.0043(16) -0.0013(17) -0.0066(17)
C6 0.024(2) 0.027(2) 0.026(2) -0.0009(17) -0.0014(17) -0.0004(17)
C7 0.027(2) 0.022(2) 0.033(2) 0.0051(17) -0.0071(18) 0.0012(16)
C8 0.0150(18) 0.027(2) 0.0198(19) -0.0008(16) 0.0054(15) 0.0006(15)
C9 0.026(2) 0.024(2) 0.0214(19) -0.0007(16) 0.0041(17) -0.0075(17)
C10 0.028(2) 0.0170(18) 0.024(2) 0.0007(15) -0.0088(17) -0.0009(16)
C11 0.030(2) 0.026(2) 0.022(2) 0.0022(16) -0.0106(17) 0.0026(17)
C12 0.023(2) 0.023(2) 0.028(2) 0.0099(17) 0.0027(17) -0.0078(17)
C13 0.026(2) 0.029(2) 0.020(2) 0.0039(17) 0.0027(17) -0.0040(18)
C14 0.030(2) 0.021(2) 0.022(2) 0.0056(16) -0.0103(17) -0.0026(16)
C15 0.023(2) 0.025(2) 0.023(2) 0.0116(16) -0.0094(17) -0.0053(16)
C16 0.025(2) 0.025(2) 0.025(2) -0.0004(16) -0.0054(16) -0.0138(17)
C17 0.025(2) 0.031(2) 0.0188(19) -0.0053(15) -0.0012(16) -0.0153(17)
Cl1 0.0301(6) 0.0250(5) 0.0261(5) 0.0004(4) -0.0006(4) -0.0040(4)
Cl2 0.0234(5) 0.0210(4) 0.0273(5) -0.0006(4) -0.0033(4) -0.0070(4)
N3 0.0244(19) 0.0295(19) 0.033(2) 0.0068(16) -0.0046(16) -0.0059(15)
N4 0.0273(19) 0.0225(17) 0.0235(18) 0.0019(14) -0.0036(14) -0.0041(14)
O1 0.0240(15) 0.0257(14) 0.0207(14) 0.0013(11) -0.0032(11) -0.0105(12)
O2 0.0277(16) 0.0236(14) 0.0235(15) -0.0010(12) -0.0050(12) -0.0050(12)
O3 0.0278(16) 0.0239(14) 0.0275(15) 0.0118(12) -0.0099(13) -0.0104(12)
O4 0.0286(15) 0.0240(14) 0.0200(14) 0.0092(11) -0.0055(12) -0.0055(12)
O5 0.0266(16) 0.0179(13) 0.0305(16) -0.0018(11) -0.0013(12) -0.0097(12)
O6 0.0248(15) 0.0215(13) 0.0219(14) 0.0122(11) -0.0032(11) -0.0113(11)
P1 0.0255(6) 0.0242(5) 0.0232(5) 0.0017(4) -0.0024(4) -0.0053(4)
P2 0.0241(6) 0.0223(5) 0.0269(5) 0.0032(4) -0.0022(4) -0.0059(4)
Pt1 0.02621(10) 0.02019(9) 0.02219(9) 0.00110(6) -0.00220(6) -0.00238(6)

_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
C1 N4 1.353(5) . ?
C1 C2 1.413(6) . ?
C1 H1 0.9300 . ?
C2 C3 1.421(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.397(6) . ?
C3 H3 0.9300 . ?
C4 C5 1.379(6) . ?
C4 H4 0.9300 . ?
C5 N4 1.376(5) . ?
C5 C6 1.476(6) . ?
C6 C7 1.554(6) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 N3 1.510(5) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 N3 1.510(5) . ?
C8 C9 1.532(5) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 P2 1.810(4) . ?
C9 P1 1.824(4) . ?
C9 H9 0.9800 . ?
C10 O3 1.448(5) . ?
C10 C11 1.526(5) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 O2 1.497(5) . ?
C12 C13 1.502(6) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 O4 1.487(5) . ?
C14 C15 1.502(5) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 O5 1.455(5) . ?
C16 C17 1.523(5) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
Cl1 Pt1 2.2998(11) . ?
Cl2 Pt1 2.3015(10) . ?
N3 Pt1 2.058(4) . ?
N3 H3A 0.9100 . ?
N4 Pt1 1.985(4) . ?
O1 P1 1.470(3) . ?
O2 P1 1.561(3) . ?
O3 P1 1.561(3) . ?
O4 P2 1.567(3) . ?
O5 P2 1.594(3) . ?
O6 P2 1.456(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N4 C1 C2 122.8(4) . . ?
N4 C1 H1 118.6 . . ?
C2 C1 H1 118.6 . . ?
C1 C2 C3 118.2(4) . . ?
C1 C2 H2 120.9 . . ?
C3 C2 H2 120.9 . . ?
C4 C3 C2 117.2(4) . . ?
C4 C3 H3 121.4 . . ?
C2 C3 H3 121.4 . . ?
C5 C4 C3 122.3(4) . . ?
C5 C4 H4 118.9 . . ?
C3 C4 H4 118.9 . . ?
N4 C5 C4 120.4(4) . . ?
N4 C5 C6 116.7(4) . . ?
C4 C5 C6 122.8(4) . . ?
C5 C6 C7 111.6(3) . . ?
C5 C6 H6A 109.3 . . ?
C7 C6 H6A 109.3 . . ?
C5 C6 H6B 109.3 . . ?
C7 C6 H6B 109.3 . . ?
H6A C6 H6B 108.0 . . ?
N3 C7 C6 111.2(4) . . ?
N3 C7 H7A 109.4 . . ?
C6 C7 H7A 109.4 . . ?
N3 C7 H7B 109.4 . . ?
C6 C7 H7B 109.4 . . ?
H7A C7 H7B 108.0 . . ?
N3 C8 C9 115.2(3) . . ?
N3 C8 H8A 108.5 . . ?
C9 C8 H8A 108.5 . . ?
N3 C8 H8B 108.5 . . ?
C9 C8 H8B 108.5 . . ?
H8A C8 H8B 107.5 . . ?
C8 C9 P2 110.3(3) . . ?
C8 C9 P1 111.5(3) . . ?
P2 C9 P1 114.0(2) . . ?
C8 C9 H9 106.9 . . ?
P2 C9 H9 106.9 . . ?
P1 C9 H9 106.9 . . ?
O3 C10 C11 108.6(3) . . ?
O3 C10 H10A 110.0 . . ?
C11 C10 H10A 110.0 . . ?
O3 C10 H10B 110.0 . . ?
C11 C10 H10B 110.0 . . ?
H10A C10 H10B 108.4 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O2 C12 C13 106.6(3) . . ?
O2 C12 H12A 110.4 . . ?
C13 C12 H12A 110.4 . . ?
O2 C12 H12B 110.4 . . ?
C13 C12 H12B 110.4 . . ?
H12A C12 H12B 108.6 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
O4 C14 C15 107.3(3) . . ?
O4 C14 H14A 110.2 . . ?
C15 C14 H14A 110.2 . . ?
O4 C14 H14B 110.2 . . ?
C15 C14 H14B 110.2 . . ?
H14A C14 H14B 108.5 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O5 C16 C17 107.9(3) . . ?
O5 C16 H16A 110.1 . . ?
C17 C16 H16A 110.1 . . ?
O5 C16 H16B 110.1 . . ?
C17 C16 H16B 110.1 . . ?
H16A C16 H16B 108.4 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C7 N3 C8 110.3(3) . . ?
C7 N3 Pt1 117.4(3) . . ?
C8 N3 Pt1 108.5(2) . . ?
C7 N3 H3A 106.7 . . ?
C8 N3 H3A 106.7 . . ?
Pt1 N3 H3A 106.7 . . ?
C1 N4 C5 118.9(4) . . ?
C1 N4 Pt1 120.2(3) . . ?
C5 N4 Pt1 120.9(3) . . ?
C12 O2 P1 125.9(3) . . ?
C10 O3 P1 121.5(2) . . ?
C14 O4 P2 119.2(3) . . ?
C16 O5 P2 119.5(2) . . ?
O1 P1 O2 115.00(17) . . ?
O1 P1 O3 116.00(17) . . ?
O2 P1 O3 103.57(16) . . ?
O1 P1 C9 107.77(17) . . ?
O2 P1 C9 106.59(18) . . ?
O3 P1 C9 107.32(18) . . ?
O6 P2 O4 116.57(16) . . ?
O6 P2 O5 113.93(17) . . ?
O4 P2 O5 103.58(16) . . ?
O6 P2 C9 116.92(18) . . ?
O4 P2 C9 100.38(18) . . ?
O5 P2 C9 103.46(18) . . ?
N4 Pt1 N3 91.57(15) . . ?
N4 Pt1 Cl1 90.38(11) . . ?
N3 Pt1 Cl1 177.88(12) . . ?
N4 Pt1 Cl2 178.88(11) . . ?
N3 Pt1 Cl2 87.32(12) . . ?
Cl1 Pt1 Cl2 90.73(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
N4 C1 C2 C3 -1.4(6) . . . . ?
C1 C2 C3 C4 -1.4(6) . . . . ?
C2 C3 C4 C5 1.7(6) . . . . ?
C3 C4 C5 N4 0.8(6) . . . . ?
C3 C4 C5 C6 -177.6(4) . . . . ?
N4 C5 C6 C7 -59.7(5) . . . . ?
C4 C5 C6 C7 118.7(4) . . . . ?
C5 C6 C7 N3 72.2(5) . . . . ?
N3 C8 C9 P2 169.4(3) . . . . ?
N3 C8 C9 P1 -62.8(4) . . . . ?
C6 C7 N3 C8 -143.6(4) . . . . ?
C6 C7 N3 Pt1 -18.7(5) . . . . ?
C9 C8 N3 C7 -59.0(5) . . . . ?
C9 C8 N3 Pt1 171.2(3) . . . . ?
C2 C1 N4 C5 3.9(6) . . . . ?
C2 C1 N4 Pt1 -175.0(3) . . . . ?
C4 C5 N4 C1 -3.6(6) . . . . ?
C6 C5 N4 C1 174.9(4) . . . . ?
C4 C5 N4 Pt1 175.3(3) . . . . ?
C6 C5 N4 Pt1 -6.2(5) . . . . ?
C13 C12 O2 P1 152.6(3) . . . . ?
C11 C10 O3 P1 -169.7(3) . . . . ?
C15 C14 O4 P2 -123.0(3) . . . . ?
C17 C16 O5 P2 167.2(3) . . . . ?
C12 O2 P1 O1 -123.0(3) . . . . ?
C12 O2 P1 O3 4.6(3) . . . . ?
C12 O2 P1 C9 117.7(3) . . . . ?
C10 O3 P1 O1 -24.7(4) . . . . ?
C10 O3 P1 O2 -151.7(3) . . . . ?
C10 O3 P1 C9 95.8(3) . . . . ?
C8 C9 P1 O1 45.6(3) . . . . ?
P2 C9 P1 O1 171.3(2) . . . . ?
C8 C9 P1 O2 169.5(3) . . . . ?
P2 C9 P1 O2 -64.7(3) . . . . ?
C8 C9 P1 O3 -80.0(3) . . . . ?
P2 C9 P1 O3 45.7(3) . . . . ?
C14 O4 P2 O6 64.5(3) . . . . ?
C14 O4 P2 O5 -61.5(3) . . . . ?
C14 O4 P2 C9 -168.2(3) . . . . ?
C16 O5 P2 O6 7.8(3) . . . . ?
C16 O5 P2 O4 135.4(3) . . . . ?
C16 O5 P2 C9 -120.2(3) . . . . ?
C8 C9 P2 O6 159.4(3) . . . . ?
P1 C9 P2 O6 33.0(3) . . . . ?
C8 C9 P2 O4 32.3(3) . . . . ?
P1 C9 P2 O4 -94.1(2) . . . . ?
C8 C9 P2 O5 -74.5(3) . . . . ?
P1 C9 P2 O5 159.1(2) . . . . ?
C1 N4 Pt1 N3 -137.2(3) . . . . ?
C5 N4 Pt1 N3 43.9(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.961
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.961
_refine_diff_density_max         2.724
_refine_diff_density_min         -1.969
_refine_diff_density_rms         0.131