A multifunctional Co-based metal-organic framework: heterogeneous catalysis, chemiluminescence sensing and moisture-dependent solvatochromism.
Xie, Ming-Hua; Wang, Ya; Li, Ruo-Fei; Dong, Peng-Yu; Hou, Gui-Hua; Shao, Rong; Xi, Xin-Guo; Guan, Rong-Feng; Yang, Xiu-Li; Dalton transactions (Cambridge, England : 2003) 47 (2018) 12406–12413; doi:10.1039/c8dt02625d

data_7047238
_publ_section_title
;
 A multifunctional Co-based metal-organic framework: heterogeneous
 catalysis, chemiluminescence sensing and moisture-dependent
 solvatochromism.
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12406
_journal_page_last               12413
_journal_paper_doi               10.1039/c8dt02625d
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C36 H44 Co3 N4 O16'
_chemical_formula_weight         965.54
_chemical_properties_physical    Moisture-sensitive,Oxygen-sensitive
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2018-07-12 deposited with the CCDC.
2018-08-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
_cell_formula_units_Z            2
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_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      71.2230
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_cell_volume                     1953.0(3)
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
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_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_unetI/netI     0.1247
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_diffrn_reflns_limit_l_min       -4
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_diffrn_reflns_theta_max         66.041
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_exptl_absorpt_coefficient_mu    10.550
_exptl_absorpt_correction_T_max  0.4184
_exptl_absorpt_correction_T_min  0.1779
_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.642
_exptl_crystal_description       needle
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_exptl_crystal_preparation       catalysis
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_refine_ls_R_factor_all          0.1420
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1341P)^2^+3.9380P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2436
_refine_ls_wR_factor_ref         0.2773
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2225
_reflns_number_total             3380
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt02625d2.cif
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_cod_depositor_comments          'Adding full bibliography for 7047238.cif.'
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