Synthesis and Structural Studies of Binuclear Platinum(II) Complexes with a Novel Phosphorus-Nitrogen-Phosphorus Ligand
Laurent Barloy; Grégory Malaisé; Shailesh Ramdeehul; Claire Newton; John A. Osborn; Nathalie Kyritsakas; Inorganic Chemistry 42 (2003) 2902–2907; doi:10.1021/ic020668+

data_4327445
_publ_section_title
;
 Synthesis and Structural Studies of Binuclear Platinum(II) Complexes with
 a Novel Phosphorus-Nitrogen-Phosphorus Ligand
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2902
_journal_page_last               2907
_journal_paper_doi               10.1021/ic020668+
_journal_volume                  42
_journal_year                    2003
_chemical_formula_moiety         'C72 H72 B2 Cl2 F8 N6 O12 P4 Pt2'
_chemical_formula_sum            'C72 H72 B2 Cl2 F8 N6 O12 P4 Pt2'
_chemical_formula_weight         1972.00
_chemical_name_systematic        ' ?'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                87.01(6)
_cell_angle_beta                 82.71(6)
_cell_angle_gamma                79.45(6)
_cell_formula_units_Z            1
_cell_length_a                   11.412(1)
_cell_length_b                   12.815(1)
_cell_length_c                   13.718(1)
_cell_measurement_reflns_used    11221
_cell_measurement_temperature    173
_cell_measurement_theta_max      26.4
_cell_measurement_theta_min      1.4
_cell_volume                     1955.5(5)
_computing_publication_material  CIFGEN_IN_OpenMoleN_(_1997)
_computing_structure_refinement  LSFM_OpenMoleN_(_1997)
_computing_structure_solution    direct_methods_(SIR,_Burla_et_al.,_1989)
_diffrn_ambient_temperature      173
_diffrn_measurement_details
;
 11221 reflections were collected using program Collect
("Collect" Data collection software, Nonius B.V., 1998)
The conditions were as follow : crystal to detector distance =  36. mm.
Scan angle =  1.6 deg 1 scans of   60 sec per frame.
Data collection was divided into  1 set(s)
with the following starting angles and number of frames :

Set 1 Theta =    6.30 Omega =    0.00 Kappa =    0.00   99 frames
Friedel pairs were averaged. Internal R = 0.03
;
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       '\p scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           Mo-K\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.030
_diffrn_reflns_av_sigmaI/netI    0.333
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            11221
_diffrn_reflns_theta_max         26.38
_diffrn_reflns_theta_min         2.5
_diffrn_source                   xray_tube
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    3.805
_exptl_absorpt_correction_T_max  0.683
_exptl_absorpt_correction_T_min  0.513
_exptl_absorpt_correction_type   refdelf_(Walker_&_Stuart,_1983)
_exptl_crystal_colour            'dark blue'
_exptl_crystal_density_diffrn    1.67
_exptl_crystal_density_method    none
_exptl_crystal_description       prism
_exptl_crystal_F_000             974
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.128
_refine_diff_density_min         -0.508
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.020
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     476
_refine_ls_number_reflns         7060
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.028
_refine_ls_R_factor_gt           0.026
_refine_ls_shift/esd_mean        0.001
_refine_ls_shift/su_max          0.029
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.046
_refine_ls_wR_factor_ref         0.045
_reflns_number_gt                7060
_reflns_number_total             7466
_reflns_threshold_expression     >3.0\s(I)
_cod_data_source_file            ic0206682B_1.cif
_cod_data_source_block           st074
_cod_original_cell_volume        1955.4(5)
_cod_database_code               4327445