Porous supramolecular networks constructed of one-dimensional metal-organic chains: carbon dioxide and iodine capture.
Yu, Fei; Li, Dan-Dan; Cheng, Lin; Yin, Zheng; Zeng, Ming-Hua; Kurmoo, Mohamedally; Inorganic chemistry 54 (2015) 1655–1660; doi:10.1021/ic502650z

data_4342160
_publ_section_title
;
 Porous supramolecular networks constructed of one-dimensional
 metal-organic chains: carbon dioxide and iodine capture.
;
_journal_issue                   4
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1655
_journal_page_last               1660
_journal_paper_doi               10.1021/ic502650z
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C20 H18 Co N4 O4'
_chemical_formula_weight         437.31
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
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_atom_sites_solution_hydrogens   geom
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_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 93.462(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.0754(5)
_cell_length_b                   8.1320(4)
_cell_length_c                   18.7324(8)
_cell_measurement_temperature    293(2)
_cell_volume                     2140.22(16)
_computing_cell_refinement       'SMART (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics
;
ORTEPIII (Burnett & Johnson, 1996); ORTEP-3 for Windows (Farrugia, 1997);
PLATON (Spek, 2009)
;
_computing_publication_material  'SHELXTL (Bruker, 2000)'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       '\f and \w scan'
_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  0.0429
_diffrn_reflns_av_sigmaI/netI    0.0585
_diffrn_reflns_limit_h_max       15
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_diffrn_reflns_limit_k_min       -9
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_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            9514
_diffrn_reflns_theta_full        25.00
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_exptl_absorpt_coefficient_mu    0.833
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_exptl_absorpt_correction_T_min  0.8510
_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.357
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             900
_exptl_crystal_size_max          0.20
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_refine_ls_number_reflns         3774
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_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^)+(0.0109P)^2^+8.2829P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1250
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_reflns_threshold_expression     >2sigma(I)
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'Adding full bibliography for 4342157--4342160.cif.'
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               4342160