Exceptional sensitivity to the synthetic approach and halogen substituent for Zn(ii) coordination assemblies with 5-halonicotinic acids.
Li, Cheng-Peng; Chen, Jing; Mu, Yu-Hai; Du, Miao; Dalton transactions (Cambridge, England : 2003) 44 (2015) 11109–11118; doi:10.1039/c5dt00420a

data_7034980
_publ_section_title
;
 Exceptional sensitivity to the synthetic approach and halogen substituent
 for Zn(ii) coordination assemblies with 5-halonicotinic acids.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11109
_journal_page_last               11118
_journal_paper_doi               10.1039/c5dt00420a
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C24 H22 Br4 N4 O12 Zn'
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_audit_update_record
;
2015-04-27 deposited with the CCDC.
2015-04-29 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
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_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
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_diffrn_radiation_monochromator  graphite
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_exptl_crystal_density_meas      ?
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_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.1012
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_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0401P)^2^+2.4627P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0910
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt00420a2.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed to
'multi-scan' 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.

'_exptl_crystal_density_meas' value 'NONE' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 7034975--7034981.cif.
;
_cod_original_cell_volume        3112.9(5)
_cod_original_sg_symbol_H-M      P2/c
_cod_database_code               7034980