Single-ion magnetic anisotropy in a vacant octahedral Co(ii) complex.
Mondal, Amit Kumar; Jover, Jesús; Ruiz, Eliseo; Konar, Sanjit; Dalton transactions (Cambridge, England : 2003) 48 (2018) 25–29; doi:10.1039/c8dt03862g

data_7047872
_publ_section_title
;
 Single-ion magnetic anisotropy in a vacant octahedral Co(ii) complex.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              25
_journal_page_last               29
_journal_paper_doi               10.1039/c8dt03862g
_journal_volume                  48
_journal_year                    2018
_chemical_formula_moiety         'C60 H48 Cl Co P4, Cl O4'
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_space_group_name_Hall           '-P 2ab 2ac'
_space_group_name_H-M_alt        'P c c n'
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
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_audit_update_record
;
2017-04-19 deposited with the CCDC.
2018-10-23 downloaded from the CCDC.
;
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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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^)+(0.0462P)^2^+9.0535P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1114
_refine_ls_wR_factor_ref         0.1331
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_reflns_number_total             6566
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt03862g2.cif
_cod_data_source_block           AM1_a
_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 7047872.cif.
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_cod_database_code               7047872
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              73926