Crystallography Open Database

Information card for entry 4321934

4321933 << 4321934 >> 4321935

Preview

Coordinates	4321934.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H28 Cl N6 Ni O6
Calculated formula	C12 H28 Cl N8 Ni O8
Title of publication	Tuning of Spin Density Wave Strengths in Quasi-One-Dimensional Halogen-Bridged NiIII Complexes with Strong Electron Correlations, [NiIII(chxn)2X]Y2
Authors of publication	Masahiro Yamashita; Toshio Manabe; Kazuo Inoue; Takuya Kawashima; Hiroshi Okamoto; Hiroshi Kitagawa; Tadaoki Mitani; Koshiro Toriumi; Hiroshi Miyamae; Ryuichi Ikeda
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	1894 - 1899
a	8.001 ± 0.005 Å
b	22.99 ± 0.02 Å
c	4.982 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	916.4 ± 1.1 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	6
Space group number	23
Hermann-Mauguin space group symbol	I 2 2 2
Hall space group symbol	I 2 2
Residual factor for all reflections	0.073
Residual factor for significantly intense reflections	0.066
Weighted residual factors for all reflections	0.058
Weighted residual factors for significantly intense reflections	0.058
Goodness-of-fit parameter for all reflections	5.241
Goodness-of-fit parameter for significantly intense reflections	5.533
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	xray_tube
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4321934.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321934.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321934.cif
19797	2011-05-25	../uploads/cif-deposit/cod/cif Adding structures of 4321934 via cif-deposit CGI script.	4321934.cif