Synthesis and Characterization of New Platinum(II) and Platinum(IV) Triphyrin Complexes
Zhaoli Xue; Daiki Kuzuhara; Shinya Ikeda; Tetsuo Okujima; Shigeki Mori; Hidemitsu Uno; Hiroko Yamada; Inorganic Chemistry 52 (2013) 1688–1690; doi:10.1021/ic302624h

data_4333932
_publ_contact_author_address
;
 Graduate School of Science and Engeneering, Ehime University,
 Matsuyama 790-8577, Japan
;
_publ_contact_author_email       uno@ehime-u.ac.jp
_publ_contact_author_fax         +81-89-927-9610
_publ_contact_author_name        'Prof. Hidemitsu Uno'
_publ_contact_author_phone       +81-89-927-9610
_publ_section_title
;
 Synthesis and Characterization of New Platinum(II) and Platinum(IV)
 Triphyrin Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1688
_journal_page_last               1690
_journal_paper_doi               10.1021/ic302624h
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         'C56 H41 Cl2 N3 Pt, C H4 O'
_chemical_formula_sum            'C57 H45 Cl2 N3 O Pt'
_chemical_formula_weight         1054.00
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   21.669(5)
_cell_length_b                   24.406(6)
_cell_length_c                   8.2686(17)
_cell_measurement_reflns_used    10457
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      31.25
_cell_measurement_theta_min      2.46
_cell_volume                     4372.9(17)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2004 (Burla, et al., 2005)'
_diffrn_ambient_temperature      110(2)
_diffrn_detector_area_resol_mean 7.111
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0483
_diffrn_reflns_av_sigmaI/netI    0.0279
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            57053
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    3.365
_exptl_absorpt_correction_T_max  0.9054
_exptl_absorpt_correction_T_min  0.5515
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.601
_exptl_crystal_description       platelet
_exptl_crystal_F_000             2112.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.030
_refine_diff_density_max         6.120
_refine_diff_density_min         -3.050
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     303
_refine_ls_number_reflns         5085
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.108
_refine_ls_R_factor_all          0.0565
_refine_ls_R_factor_gt           0.0488
_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^)+(0.0355P)^2^+33.8103P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1026
_refine_ls_wR_factor_ref         0.1068
_reflns_number_gt                4365
_reflns_number_total             5089
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic302624h_si_002_2.cif
_cod_data_source_block           Triphyrin-PtCl2
_cod_original_cell_volume        4372.9(16)
_cod_database_code               4333932