A Ni<sup>II</sup>-cluster-based MOF as an efficient heterogeneous catalyst for the chemical transformation of CO<sub>2</sub>.
Gao, Chao-Ying; Yang, Yang; Liu, Jinghai; Sun, Zhong-Ming; Dalton transactions (Cambridge, England : 2003) 48 (2019) 1246–1250; doi:10.1039/c8dt04284e

data_7048255
_publ_section_title
;
 A Ni<sup>II</sup>-cluster-based MOF as an efficient heterogeneous
 catalyst for the chemical transformation of CO<sub>2</sub>.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1246
_journal_page_last               1250
_journal_paper_doi               10.1039/c8dt04284e
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C2.38 H0.86 N0 Ni0.38 O1.9 Si0.1'
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_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_space_group_name_Hall  '-P 2ac 2n'
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_atom_sites_solution_hydrogens   geom
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_audit_update_record
;
2018-10-09 deposited with the CCDC.
2018-11-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_measurement_temperature    296(2)
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_cell_volume                     4423(2)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
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_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruken APEX-II CCD'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_limit_h_max       15
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_max         26.128
_diffrn_reflns_theta_min         1.954
_exptl_absorpt_coefficient_mu    1.767
_exptl_crystal_colour            green
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_exptl_crystal_description       block
_exptl_crystal_F_000             1780
_refine_diff_density_max         2.207
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_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         4524
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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^)+(0.1084P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                3298
_reflns_number_total             4524
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt04284e2.cif
_cod_data_source_block           1_sq_d
_cod_depositor_comments          'Adding full bibliography for 7048255.cif.'
_cod_original_formula_sum        'C2.38 H0.86 N0 Ni0.38 O1.90 Si0.10'
_cod_database_code               7048255
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              15911