Insight into non-covalent interactions in a [Cu(N3)4]2− bridged hetero-pentanuclear copper(ii)/sodium complex with special emphasis on the strong CH⋯π[Cu(N3)4] interactions
Bhaumik, Prasanta Kumar; Gomila, Rosa M.; Frontera, Antonio; Benmansour, Samia; Gómez-García, Carlos J.; Chattopadhyay, Shouvik; New Journal of Chemistry 46 (2022) 11286–11295; doi:10.1039/D2NJ00614F

data_7061467
_publ_section_title
;
 Insight into non-covalent interactions in a [Cu(N3)4]2&#x2212; bridged
 hetero-pentanuclear copper(ii)/sodium complex with special emphasis on
 the strong CH&#x22EF;\p[Cu(N3)4] interactions
;
_journal_issue                   23
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              11286
_journal_page_last               11295
_journal_paper_doi               10.1039/D2NJ00614F
_journal_volume                  46
_journal_year                    2022
_chemical_formula_moiety         'C46 H56 Cu3 N16 Na2 O8'
_chemical_formula_sum            'C46 H56 Cu3 N16 Na2 O8'
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;
2022-04-20 deposited with the CCDC.	2022-04-22 downloaded from the CCDC.
;
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_computing_cell_refinement       'SAINT (Bruker, 2000)'
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'Ortep-3 for Windows (Farrugia, 1999) and CAMERON (Watkin et al., 1993)'
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_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      273(2)
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_diffrn_measurement_device_type  'Bruker SMART CCD area detector'
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0271P)^2^+0.6919P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.0652
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_reflns_number_gt                4046
_reflns_number_total             4442
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           shelx
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'MULTI-SCAN' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7061467.cif.
;
_cod_database_code               7061467
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_shelx_estimated_absorpt_t_max   0.764
_shelx_res_checksum              54669