Consecutive oxidative additions of iodine on undulating 2D coordination polymers: formation of I‒Pt‒I chains and inhomogeneous layers
Ohtani, Ryo; Yamamoto, Riho; Ohtsu, Hiroyoshi; Kawano, Masaki; Pirillo, Jenny; Hijikata, Yuh; Sadakiyo, Masaaki; Lindoy, Leonard F.; Hayami, Shinya; Dalton Transactions  (2019) –; doi:10.1039/C8DT04624G

data_7048614
_publ_section_title
;
 Consecutive oxidative additions of iodine on undulating 2D coordination
 polymers: formation of I--Pt--I chains and inhomogeneous layers
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/C8DT04624G
_journal_year                    2019
_chemical_formula_moiety         'C36 I0.36 Mn2 N8 O4 Pt'
_chemical_formula_sum            'C36 I0.36 Mn2 N8 O4 Pt'
_chemical_formula_weight         959.082
_chemical_name_common            PtMn01I
_chemical_name_systematic        ' ?'
_space_group_crystal_system      orthorhombic
_space_group_IT_number           56
_space_group_name_Hall           '-P 2ab 2ac'
_space_group_name_H-M_alt        'P c c n'
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_audit_update_record
;
2018-08-25 deposited with the CCDC.
2018-12-26 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.682(1)
_cell_length_b                   14.687(1)
_cell_length_c                   17.0960(8)
_cell_measurement_temperature    100(2)
_cell_volume                     3686.5(4)
_computing_cell_refinement       'RIETAN-FP (Izumi and Momma, 2007)'
_computing_molecular_graphics    'VESTA (Momma and Izumi, 2008)'
_computing_structure_refinement  'RIETAN-FP (Izumi and Momma, 2007)'
_computing_structure_solution    DASH
_diffrn_ambient_temperature      100(2)
_diffrn_measurement_device_type  IP
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     1.000000
_diffrn_source                   'Synchrotron radiation'
_diffrn_source_type              'SAGA-LS BL15'
_exptl_absorpt_coefficient_mu    8.272
_exptl_crystal_density_diffrn    1.7280
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1804.32
_pd_calc_method                  'Rietveld Refinement'
_pd_instr_location               ' SAGA-LS BL15'
_pd_meas_2theta_range_inc        0.0100
_pd_meas_2theta_range_max        60.0000
_pd_meas_2theta_range_min        3.5000
_pd_meas_number_of_points        5651
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.0100
_pd_proc_2theta_range_max        60.0000
_pd_proc_2theta_range_min        3.5000
_pd_proc_ls_background_function  'Legendre polynomials'
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_profile_function     'split pseudo-Voigt function'
_pd_proc_ls_prof_R_factor        0.01001
_pd_proc_ls_prof_wR_expected     0.05833
_pd_proc_ls_prof_wR_factor       0.01351
_pd_proc_wavelength              1.0000
_pd_spec_mounting
;
capillary
;
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_diff_density_max         0.0
_refine_diff_density_min         0.0
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.2316
_refine_ls_matrix_type           full
_refine_ls_number_constraints    27
_refine_ls_number_parameters     119
_refine_ls_number_restraints     109
_refine_ls_R_factor_all          0.04271
_refine_ls_R_Fsqd_factor         0.04398
_refine_ls_R_I_factor            0.08016
_refine_ls_shift/su_max          0.0
_refine_ls_weighting_details     1/<i>y</i>~i~
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            c8dt04624g2.cif
_cod_data_source_block           single_phase_CCDC2
_cod_original_cell_volume        3686.6(5)
_cod_original_formula_sum        'C36 I0.36 Mn2 O4 N8 Pt'
_cod_database_code               7048614