A supersalt-type copper(i)-thiolate cluster with applications for mechano/thermochromism and the oxygen evolution reaction.
Hu, Lanxia; Zheng, Aiping; Kang, Yao; Wen, Tian; Zhang, Jian; Chemical communications (Cambridge, England) 56 (2020) 3967–3970; doi:10.1039/d0cc00619j

data_7126490
_publ_section_title
;
 A supersalt-type copper(i)-thiolate cluster with applications for
 mechano/thermochromism and the oxygen evolution reaction.
;
_journal_issue                   28
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              3967
_journal_page_last               3970
_journal_paper_doi               10.1039/d0cc00619j
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C6 H36 Cl6 Cu12 N6 S6'
_chemical_formula_sum            'C6 H36 Cl6 Cu12 N6 S6'
_chemical_formula_weight         1359.95
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_space_group_name_Hall           '-P 4 2 3'
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_audit_update_record
;
2020-01-14 deposited with the CCDC.	2020-02-24 downloaded from the CCDC.
;
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
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_diffrn_measurement_device_type  'Saturn724+ (2x2 bin mode)'
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_exptl_absorpt_coefficient_mu    7.325
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_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            White
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_exptl_crystal_description       Prism
_exptl_crystal_F_000             1320
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1594P)^2^+14.2264P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2678
_refine_ls_wR_factor_ref         0.2711
_reflns_Friedel_coverage         0.000
_reflns_number_gt                468
_reflns_number_total             493
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0cc00619j2.cif
_cod_data_source_block           1
_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/current/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 
;
_cod_original_cell_volume        1901.14(9)
_cod_database_code               7126490
_shelx_shelxl_version_number     2014/7
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