Anion-templated assembly of multinuclear copper(ii)–triazole complexes
Gopalakrishnan, Mohan; Krittametaporn, Nuttaporn; Yoshinari, Nobuto; Konno, Takumi; Sangtrirutnugul, Preeyanuch; New Journal of Chemistry 44 (2020) 13764–13770; doi:10.1039/D0NJ02832K

data_7059816
_publ_section_title
;
 Anion-templated assembly of multinuclear copper(ii)--triazole complexes
;
_journal_issue                   32
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              13764
_journal_page_last               13770
_journal_paper_doi               10.1039/D0NJ02832K
_journal_volume                  44
_journal_year                    2020
_chemical_formula_moiety         'C64 H55 Cl Cu3 N12 O8, 2(Cl O4)'
_chemical_formula_sum            'C64 H55 Cl3 Cu3 N12 O16'
_chemical_formula_weight         1545.17
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
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_atom_sites_solution_primary     difmap
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2020-07-15 deposited with the CCDC.	2020-07-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.869(7)
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_computing_data_collection       'RAPID-AUTO (Rigaku Corporation)'
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_computing_molecular_graphics    'Yadokari-XG (Kabuto et al, 2009)'
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_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
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_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_method       /w
_diffrn_radiation_monochromator  Si(311)
_diffrn_radiation_source         'SPring-8 BL02B1 bending magnet'
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_diffrn_reflns_limit_h_max       22
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            blue
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_exptl_crystal_description       plate
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_refine_ls_matrix_type           full
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0557P)^2^+6.1811P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1064
_refine_ls_wR_factor_ref         0.1147
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11514
_reflns_number_total             14604
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0nj02832k2.cif
_cod_data_source_block           2
_cod_depositor_comments
;Adding full bibliography for 7059816--7059817.cif.

 Adding full bibliography for 7059816--7059817.cif.
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7059816
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_shelx_res_checksum              20235