First Examples of Metal-Organic Frameworks with Pore-Encapsulated [Co(CO)4]− Anions: Facile Synthesis, Crystal Structures and Stability Studies
Xiao, Caihong; Du, Shaowu; Crystals 14 (2024) 731–; doi:10.3390/cryst14080731

data_1572517
_publ_section_title
;
 First Examples of Metal-Organic Frameworks with Pore-Encapsulated
 [Co(CO)4]&#x2212; Anions: Facile Synthesis, Crystal Structures and
 Stability Studies
;
_journal_issue                   8
_journal_name_full               Crystals
_journal_page_first              731
_journal_paper_doi               10.3390/cryst14080731
_journal_volume                  14
_journal_year                    2024
_chemical_formula_moiety         'C21 H21 Co0.5 N6, C4 Co O4'
_chemical_formula_sum            'C25 H21 Co1.5 N6 O4'
_chemical_formula_weight         557.87
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   difmap
_audit_creation_date             2024-03-10
_audit_creation_method
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
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_cell_angle_gamma                90
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_cell_length_b                   12.626(6)
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_cell_measurement_temperature    293(2)
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_cell_measurement_theta_min      2.66
_cell_volume                     5482(5)
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_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Mercury70 (2x2 bin mode)'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0176
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_diffrn_reflns_limit_h_max       30
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.540
_diffrn_reflns_theta_min         2.664
_exptl_absorpt_coefficient_mu    0.958
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
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_exptl_crystal_description       prism
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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
'w=1/[\s^2^(Fo^2^)+(0.0744P)^2^+2.5050P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_wR_factor_gt          0.1226
_refine_ls_wR_factor_ref         0.1387
_reflns_Friedel_coverage         0.000
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            CIFs.txt
_cod_data_source_block           compound1
_cod_original_formula_sum        'C25 H21 Co1.50 N6 O4'
_cod_database_code               1572517
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_refine_ls_r_factor_ref          0.0620
_olex2_refinement_description
;
;
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_olex2_submission_special_instructions 'No special instructions were received'