Crystallography Open Database

Information card for entry 4333418

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Coordinates	4333418.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H48 Cl N9 Ni2 O7
Calculated formula	C45 H48 Cl N9 Ni2 O7
Title of publication	Tridentate Facial Ligation of Tris(pyridine-2-aldoximato)nickel(II) and Tris(imidazole-2-aldoximato)nickel(II) To Generate NiIIFeIIINiII, MnIIINiII, NiIINiII, and ZnIINiIIand the Electrooxidized MnIVNiII, NiIINiIII, and ZnIINiIIISpecies: A Magnetostructural, Electrochemical, and EPR Spectroscopic Study
Authors of publication	Chaudhuri, Phalguni; Weyhermüller, Thomas; Wagner, Rita; Khanra, Sumit; Biswas, Biplab; Bothe, Eberhard; Bill, Eckhard
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Journal issue	21
Pages of publication	9003 - 9016
a	20.9553 ± 0.0003 Å
b	20.9553 ± 0.0003 Å
c	20.9553 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	9202 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.0521
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1186
Weighted residual factors for all reflections included in the refinement	0.1218
Goodness-of-fit parameter for all reflections included in the refinement	1.166
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179437 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/34.	4333418.cif
98987	2014-01-30	cif/ Adding structures of 4333414, 4333415, 4333416, 4333417, 4333418, 4333419, 4333420, 4333421 via cif-deposit CGI script.	4333418.cif