Iminoacylation. 3. Formation of Platinum(IV)-Based Metallaligands Due to Facile One-End Addition of vic-Dioximes to Coordinated Organonitriles1-3
Vadim Yu. Kukushkin; Tatyana B. Pakhomova; Nadezhda A. Bokach; Gabriele Wagner; Maxim L. Kuznetsov; Markus Galanski; Armando J. L. Pombeiro; Inorganic Chemistry 39 (2000) 216–225; doi:10.1021/ic990552m

data_4300048
_publ_section_title
;
Iminoacylation. 3. Formation of Platinum(IV)-Based Metallaligands Due to
Facile One-End Addition of vic-Dioximes to Coordinated Organonitriles1-3
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_journal_name_full               'Inorganic Chemistry'
_journal_page_first              216
_journal_page_last               225
_journal_paper_doi               10.1021/ic990552m
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C14 H22 Cl2 N4 O4 Pt'
_chemical_formula_weight         576.33
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.04(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.163(3)
_cell_length_b                   7.823(3)
_cell_length_c                   14.51(4)
_cell_measurement_temperature    293(2)
_cell_volume                     912(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.414
_diffrn_measured_fraction_theta_max 0.414
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.6574
_diffrn_reflns_av_sigmaI/netI    0.0426
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            3690
_diffrn_reflns_theta_full        47.43
_diffrn_reflns_theta_max         47.43
_diffrn_reflns_theta_min         2.68
_exptl_absorpt_coefficient_mu    8.008
_exptl_crystal_density_diffrn    2.090
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             552
_refine_diff_density_max         1.526
_refine_diff_density_min         -3.877
_refine_diff_density_rms         0.259
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     115
_refine_ls_number_reflns         3687
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.094
_refine_ls_R_factor_all          0.0559
_refine_ls_R_factor_gt           0.0412
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0633P)^2^+0.6532P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1060
_refine_ls_wR_factor_ref         0.1117
_reflns_number_gt                3205
_reflns_number_total             3687
_reflns_threshold_expression     >2sigma(I)
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0633P)^2^+0.6532P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0633P)^2^+0.6532P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_cell_volume        913(3)
_cod_database_code               4300048