Correlation between structural, physical and chemical properties of three new tetranuclear NiIIclusters
Cindrić, Marina; Pavlović, Gordana; Pajić, Damir; Zadro, Krešo; Cinčić, Dominik; Hrenar, Tomica; Lekšić, Edislav; Belen Pinar Prieto, Ana; Lazić, Predrag; Šišak Jung, Dubravka; New J. Chem. 40 (2016) 6604–; doi:10.1039/C6NJ00287K

data_7055590
_publ_section_title
;
 Correlation between structural, physical and chemical properties of three
 new tetranuclear NiIIclusters
;
_journal_issue                   8
_journal_name_full               'New J. Chem.'
_journal_page_first              6604
_journal_paper_doi               10.1039/C6NJ00287K
_journal_volume                  40
_journal_year                    2016
_chemical_formula_sum            'C60 H60 N4 Ni4 O12'
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_space_group_name_Hall           '-P 1'
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_symmetry_space_group_name_H-M   'P -1'
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_audit_update_record
;
2016-05-09 deposited with the CCDC.
2016-05-18 downloaded from the CCDC.
;
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_cell_volume                     2848.97(17)
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'CrysAlis RED, Oxford Diffraction Ltd.Version 1.171.34.44. '
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'CrysAlis CCD, Oxford Diffraction Ltd.Version 1.171.34.44. '
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'CrysAlis RED, Oxford Diffraction Ltd.Version 1.171.34.44. '
_computing_molecular_graphics
;
 PovRay 
 MERCURY 2.4. (CCDC, 2011)
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_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.975
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;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44.
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            green
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0692P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                7615
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7055588--7055591.cif.'
_cod_original_cell_volume        2848.97(18)
_cod_database_code               7055590
_shelx_shelxl_version_number     2014/7
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