X-ray Structures of the First Platinum Complexes with Z Configuration Iminoether Ligands: trans-Dichlorobis(1-imino-1-methoxy-2,2'-dimethylpropane) platinum(II) and trans-Tetrachlorobis(1-imino-1-methoxy-2,2'-dimethylpropane) platinum(IV)
Ana M. Gonzalez; Renzo Cini; Francesco P. Intini; Concetta Pacifico; Giovanni Natile; Inorganic Chemistry 41 (2002) 470–478; doi:10.1021/ic010850v

data_4317502
_publ_section_title
;
 X-ray Structures of the First Platinum Complexes with Z Configuration
 Iminoether Ligands:
 trans-Dichlorobis(1-imino-1-methoxy-2,2'-dimethylpropane) platinum(II)
 and trans-Tetrachlorobis(1-imino-1-methoxy-2,2'-dimethylpropane)
 platinum(IV)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              470
_journal_page_last               478
_journal_paper_doi               10.1021/ic010850v
_journal_volume                  41
_journal_year                    2002
_chemical_formula_moiety         'C12 H126 Cl2 N2 O2 Pt1'
_chemical_formula_sum            'C12 H26 Cl2 N2 O2 Pt'
_chemical_formula_weight         496.34
_chemical_name_systematic
;
 trans-dichloro-bis(1-imino-1-methoxy-2,2-dimethylpropane)platinum(II)
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 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                 102.14(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.796(1)
_cell_length_b                   11.420(1)
_cell_length_c                   5.075(1)
_cell_measurement_reflns_used    26
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      21.0
_cell_measurement_theta_min      5.5
_cell_volume                     895.0(2)
_computing_cell_refinement       'XSCANS (Siemens, 1996)'
_computing_data_collection       'XSCANS (Siemens, 1996)'
_computing_data_reduction        'XSCANS (Siemens, 1996)'
_computing_molecular_graphics
'ORTEP-3 for Windows (L.J.Farrugia, Glasgow, 1998)'
_computing_publication_material  'CIFTAB (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.501
_diffrn_measured_fraction_theta_max 0.501
_diffrn_measurement_device_type  'Siemens P4'
_diffrn_measurement_method       omega
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0130
_diffrn_reflns_av_sigmaI/netI    0.0125
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            1636
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         2.22
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    8.137
_exptl_absorpt_correction_T_max  0.166
_exptl_absorpt_correction_T_min  0.126
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.842
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             480
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.839
_refine_diff_density_min         -0.724
_refine_diff_density_rms         0.083
_refine_ls_extinction_coef       0.0010(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.117
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     115
_refine_ls_number_reflns         1369
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.117
_refine_ls_R_factor_all          0.0160
_refine_ls_R_factor_gt           0.0160
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0276P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0400
_refine_ls_wR_factor_ref         0.0400
_reflns_number_gt                1369
_reflns_number_total             1369
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic010850v_1.cif
_cod_data_source_block           ptie99ab
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0276P)^2^+0.0000P] 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^)+(0.0276P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_formula_sum        'C12 H26 Cl2 N2 O2 Pt1'
_cod_database_code               4317502