Imidazole-directed fabrication of three polyoxovanadate-based copper frameworks as efficient catalysts for constructing C-N bonds.
Huang, Xianqiang; Qi, Yuquan; Gu, Yuxiao; Gong, Shuwen; Shen, Guodong; Li, Qiang; Li, Jikun; Dalton transactions (Cambridge, England : 2003) 49 (2020) 10970–10976; doi:10.1039/d0dt02162h

data_7704823
_publ_section_title
;
 Imidazole-directed fabrication of three polyoxovanadate-based copper
 frameworks as efficient catalysts for constructing C-N bonds.
;
_journal_issue                   31
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10970
_journal_page_last               10976
_journal_paper_doi               10.1039/d0dt02162h
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C24 H39 Cu N8 O11 V4'
_chemical_formula_weight         882.93
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
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_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-06-15 deposited with the CCDC.	2020-07-13 downloaded from the CCDC.
;
_cell_angle_alpha                105.431(2)
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_cell_volume                     1834.3(3)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0240
_diffrn_reflns_av_unetI/netI     0.0576
_diffrn_reflns_Laue_measured_fraction_full 0.984
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_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
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_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       17
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_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
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_exptl_absorpt_coefficient_mu    1.613
_exptl_absorpt_correction_T_max  0.7600
_exptl_absorpt_correction_T_min  0.7180
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.599
_exptl_crystal_description       block
_exptl_crystal_F_000             896
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_refine_diff_density_max         1.839
_refine_diff_density_min         -0.805
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_restraints     993
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0878
_refine_ls_R_factor_gt           0.0611
_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1147P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1762
_refine_ls_wR_factor_ref         0.1938
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4308
_reflns_number_total             6357
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt02162h2.cif
_cod_data_source_block           160922b
_cod_depositor_comments
'Adding full bibliography for 7704823--7704825.cif.'
_cod_database_code               7704823
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.718
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_shelx_res_checksum              65441