Towards a better understanding of honeycomb alternating magnetic networks.
Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Cano, Joan; Julve, Miguel; Dalton transactions (Cambridge, England : 2003) 44 (2015) 11040–11051; doi:10.1039/c5dt00553a

data_7035223
_publ_section_title
;
 Towards a better understanding of honeycomb alternating magnetic
 networks.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11040
_journal_page_last               11051
_journal_paper_doi               10.1039/c5dt00553a
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C18 H12 N8 Ni O4, 2(H2 O)'
_chemical_formula_sum            'C18 H16 N8 Ni O6'
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_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
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;
2014-12-16 deposited with the CCDC.
2015-04-27 downloaded from the CCDC.
;
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'Re-crystallisation from solvent: acetonitrile'
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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^)+(0.0395P)^2^+0.9090P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.0745
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2860
_reflns_number_total             3204
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt00553a1.cif
_cod_data_source_block           nibpox
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_sites_solution_primary' value 'Direct' changed to 'direct'
according to
/usr/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 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 7035221--7035223.cif.
;
_cod_database_code               7035223
_shelx_estimated_absorpt_t_min   0.862
_shelx_estimated_absorpt_t_max   0.905
_shelxl_version_number           2013-4
_shelx_res_checksum              77768