Ln-Co-Based Rock-Salt-Type Porous Coordination Polymers: Vapor Response Controlled by Changing the Lanthanide Ion
Atsushi Kobayashi; Yui Suzuki; Tadashi Ohba; Shin-ichiro Noro; Ho-Chol Chang; Masako Kato; Inorganic Chemistry 50 (2011) 2061–2063; doi:10.1021/ic102361d

data_4324672
_publ_contact_author_email       akoba@sci.hokudai.ac.jp
_publ_contact_author_fax         +81-11-706-3447
_publ_contact_author_name        'Atsushi Kobayashi'
_publ_contact_author_phone       +81-11-706-3819
_publ_section_title
;
 Ln-Co-Based Rock-Salt-Type Porous Coordination Polymers: Vapor Response
 Controlled by Changing the Lanthanide Ion
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2061
_journal_page_last               2063
_journal_paper_doi               10.1021/ic102361d
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C36 H18 Co N6 Nd O12 '
_chemical_formula_sum            'C36 H18 Co N6 Nd O12'
_chemical_formula_weight         929.74
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   18.1481(10)
_cell_length_b                   18.1481(10)
_cell_length_c                   18.1481(10)
_cell_measurement_temperature    153.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.2
_cell_volume                     5977.1(6)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SHELXS97
_diffrn_ambient_temperature      153.1
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.028
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            11891
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_exptl_absorpt_coefficient_mu    1.180
_exptl_absorpt_correction_T_max  0.702
_exptl_absorpt_correction_T_min  0.613
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.033
_exptl_crystal_description       block
_exptl_crystal_F_000             1836.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.05
_refine_diff_density_min         -1.20
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.285
_refine_ls_number_parameters     31
_refine_ls_number_reflns         399
_refine_ls_R_factor_gt           0.0820
_refine_ls_shift/su_max          0.0030
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1991P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2409
_reflns_number_gt                399
_reflns_number_total             399
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic102361d_si_002_3.cif
_cod_data_source_block           '__Nd[Co(dcbpy)3]'
_cod_original_formula_sum        'C36 H18 Co N6 Nd O12 '
_cod_database_code               4324672