Isomerization of Platinum-Coordinated Iminoethers Induced by Spectator Ligands: Stabilization of the Z anti Configuration
Daniela Giardina-Papa; Francesco P. Intini; Concetta Pacifico; Giovanni Natile; Inorganic Chemistry 52 (2013) 13058–13067; doi:10.1021/ic4017118

data_4336713
_publ_contact_author_address
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Dipartimento di Chimica
Universit\`a degli Studi di Bari  Aldo Moro
via E. Orabona 4
70125 Bari 
Italy

;
_publ_contact_author_email       giovanni.natile@uniba.it
_publ_contact_author_fax         '39 80 5442230'
_publ_contact_author_name
;
Prof. Giovanni, Natile
;
_publ_contact_author_phone       '39 80 5442774'
_publ_section_title
;
 Isomerization of Platinum-Coordinated Iminoethers Induced by Spectator
 Ligands: Stabilization of the Z anti Configuration
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              13058
_journal_page_last               13067
_journal_paper_doi               10.1021/ic4017118
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         'C42 H44 Cl2 N2 O2 P2 Pt, 3(C H Cl3)'
_chemical_formula_sum            'C45 H47 Cl11 N2 O2 P2 Pt'
_chemical_formula_weight         1294.81
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                102.679(1)
_cell_angle_beta                 113.885(1)
_cell_angle_gamma                96.269(1)
_cell_formula_units_Z            1
_cell_length_a                   9.5619(1)
_cell_length_b                   11.8213(2)
_cell_length_c                   13.9609(2)
_cell_measurement_reflns_used    13286
_cell_measurement_temperature    292(2)
_cell_measurement_theta_max      36.35
_cell_measurement_theta_min      1.67
_cell_volume                     1372.59(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR2004 (Burla, 2005)'
_diffrn_ambient_temperature      292(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Nonius KappaCCD diffractometer'
_diffrn_measurement_method       '\f and \w'
_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  0.0441
_diffrn_reflns_av_sigmaI/netI    0.0552
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            36675
_diffrn_reflns_theta_full        36.35
_diffrn_reflns_theta_max         36.35
_diffrn_reflns_theta_min         1.67
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.186
_exptl_absorpt_correction_T_max  0.7471
_exptl_absorpt_correction_T_min  0.5763
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; G. M. Sheldrick, 1996)'
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.566
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             642
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.135
_platon_squeeze_details
;
;
_refine_diff_density_max         2.574
_refine_diff_density_min         -0.961
_refine_diff_density_rms         0.163
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     399
_refine_ls_number_reflns         13286
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.0418
_refine_ls_R_factor_gt           0.0399
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0504P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0950
_refine_ls_wR_factor_ref         0.0962
_reflns_number_gt                12735
_reflns_number_total             13286
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic4017118_si_002.cif
_cod_data_source_block           daniela
_cod_original_cell_volume        1372.59(3)
_cod_database_code               4336713