Polycarboxylate-directed semi-rigid pyridyl-amide-based various Ni<sup>II</sup> complexes: electrochemical properties and enhancements of photocatalytic activities by calcination.
Wang, Xiuli; Xiong, Ying; Liu, Guocheng; Lin, Hongyan; Wang, Xiang; Dalton transactions (Cambridge, England : 2003) 47 (2018) 9903–9911; doi:10.1039/c8dt00836a

data_7046938
_publ_section_title
;
 Polycarboxylate-directed semi-rigid pyridyl-amide-based various
 Ni<sup>II</sup> complexes: electrochemical properties and enhancements of
 photocatalytic activities by calcination.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9903
_journal_page_last               9911
_journal_paper_doi               10.1039/c8dt00836a
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C78 H76 N12 Ni3 O26'
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_space_group_name_Hall           '-P 1'
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_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2017-07-24 deposited with the CCDC.
2018-07-03 downloaded from the CCDC.
;
_cell_angle_alpha                84.5830(10)
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_cell_volume                     1840.72(18)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
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_diffrn_reflns_theta_full        25.242
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_exptl_absorpt_coefficient_mu    0.855
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.600
_exptl_crystal_description       block
_exptl_crystal_F_000             920
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.130
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_refine_ls_restrained_S_all      1.005
_refine_ls_R_factor_all          0.0692
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0535P)^2^+1.1926P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1046
_refine_ls_wR_factor_ref         0.1167
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6696
_reflns_number_total             9058
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt00836a2.cif
_cod_data_source_block           4
_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 7046935--7046938.cif.
;
_cod_database_code               7046938
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.882
_shelx_estimated_absorpt_t_max   0.912
_shelx_res_checksum              58548