A charge-separated diamondoid metal-organic framework.
Thapa, Sheela; Hettiarachchi, Eshani; Dickie, Diane A.; Rubasinghege, Gayan; Qin, Yang; Chemical communications (Cambridge, England) 54 (2018) 12654–12657; doi:10.1039/c8cc07098a

data_7122486
_publ_section_title
;
 A charge-separated diamondoid metal-organic framework.
;
_journal_issue                   89
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              12654
_journal_page_last               12657
_journal_paper_doi               10.1039/c8cc07098a
_journal_volume                  54
_journal_year                    2018
_chemical_formula_sum            'C52 H16 B Cu F16 N4'
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_space_group_IT_number           82
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;
2018-08-31 deposited with the CCDC.
2018-10-18 downloaded from the CCDC.
;
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_diffrn_measurement_device_type  'Bruker Kappa APEXII CCD'
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SADABS-2014/5 - Bruker AXS area detector scaling and absorption correction
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_exptl_crystal_colour            orange-yellow
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Refined as an inversion twin.
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0079P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0657
_refine_ls_wR_factor_ref         0.0697
_reflns_number_gt                10460
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8cc07098a2.cif
_cod_data_source_block           yqST02B
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-Scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7122486.cif.
;
_cod_original_cell_volume        13681.8(10)
_cod_database_code               7122486
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