Assembly of donor-acceptor hybrid heterostructures based on iodoplumbates and viologen coordination polymers
Liu, Jian-Jun; Shan, Yue-Bin; Huang, Chang-Cang; Dai, Wenxin; Lin, Mei-Jin; Dalton Trans.  (2017) –; doi:10.1039/C7DT02133J

data_7043977
_publ_section_title
;
 Assembly of donor-acceptor hybrid heterostructures based on iodoplumbates
 and viologen coordination polymers
;
_journal_name_full               'Dalton Trans.'
_journal_paper_doi               10.1039/C7DT02133J
_journal_year                    2017
_chemical_formula_moiety         '2(I4 Pb1.20), C14 H12 Co N2 O8'
_chemical_formula_sum            'C14 H12 Co I8 N2 O8 Pb2.4'
_chemical_formula_weight         1907.64
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-08-11 deposited with the CCDC.
2017-08-14 downloaded from the CCDC.
;
_cell_angle_alpha                82.028(6)
_cell_angle_beta                 89.129(6)
_cell_angle_gamma                83.994(5)
_cell_formula_units_Z            1
_cell_length_a                   4.8667(3)
_cell_length_b                   11.3891(8)
_cell_length_c                   16.8685(12)
_cell_measurement_reflns_used    3091
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      28.8160
_cell_measurement_theta_min      3.2100
_cell_volume                     920.86(11)
_computing_cell_refinement       'CrysAlisPro 1.171.39.30c (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.30c (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.30c (Rigaku OD, 2017)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2004)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'XtaLAB AFC11 (RCD3): quarter-chi single'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0558
_diffrn_reflns_av_unetI/netI     0.0598
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            11490
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.022
_diffrn_reflns_theta_max         25.022
_diffrn_reflns_theta_min         2.438
_exptl_absorpt_coefficient_mu    18.122
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.40139
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   'CrysAlisPro 1.171.39.30c (Rigaku OD, 2017)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    3.440
_exptl_crystal_description       block
_exptl_crystal_F_000             822
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.01
_refine_diff_density_max         6.203
_refine_diff_density_min         -6.457
_refine_diff_density_rms         0.366
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     157
_refine_ls_number_reflns         3252
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.0914
_refine_ls_R_factor_gt           0.0704
_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^)+(0.1044P)^2^+47.8146P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1848
_refine_ls_wR_factor_ref         0.2000
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2536
_reflns_number_total             3252
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7dt02133j2.cif
_cod_data_source_block           complex2
_cod_original_cell_volume        920.85(11)
_cod_original_formula_sum        'C14 H12 Co I8 N2 O8 Pb2.40'
_cod_database_code               7043977
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              45887