Dinickel complexes with anthyridine-based ligands.
Huang, Da-Wei; Liu, Yi-Hung; Peng, Shie-Ming; Liu, Shiuh-Tzung; Dalton transactions (Cambridge, England : 2003) 45 (2016) 8265–8271; doi:10.1039/c6dt00567e

data_7038959
_publ_section_title
;
 Dinickel complexes with anthyridine-based ligands.
;
_journal_issue                   19
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
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_journal_page_last               8271
_journal_paper_doi               10.1039/c6dt00567e
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C52 H39 F12 N7 Ni2 O11'
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_symmetry_space_group_name_Hall  '-P 2ybc'
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;
2016-03-29 deposited with the CCDC.
2016-04-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
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CrysAlisPro, Agilent Technologies, 
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) 
(compiled Feb  1 2013,16:14:44) 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
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_computing_data_collection
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CrysAlisPro, Agilent Technologies, 
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) 
(compiled Feb  1 2013,16:14:44) 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_computing_data_reduction
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) 
(compiled Feb  1 2013,16:14:44) 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
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; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) 
(compiled Feb  1 2013,16:14:44) 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.560
_exptl_crystal_description       plate
_exptl_crystal_F_000             2608
_exptl_crystal_size_max          0.25
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_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
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_refine_ls_number_reflns         9191
_refine_ls_number_restraints     408
_refine_ls_restrained_S_all      0.996
_refine_ls_R_factor_all          0.0817
_refine_ls_R_factor_gt           0.0529
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0754P)^2^+7.0239P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1295
_refine_ls_wR_factor_ref         0.1479
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6709
_reflns_number_total             9191
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6dt00567e2.cif
_cod_data_source_block           ic16620_sq
_cod_depositor_comments
'Adding full bibliography for 7038958--7038959.cif.'
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