Crystallography Open Database

Information card for entry 4339487

Preview

Coordinates	4339487.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H56 Cl8 N8 Ni8 O8.5
Calculated formula	C80 H56 Cl8 N8 Ni8 O8.5
Title of publication	One-pot synthesis of Schiff-base-containing Ni8 clusters: solvothermal synthesis, structure, and magnetic properties.
Authors of publication	Luo, Feng; Zheng, Ji-min; Kurmoo, Mohamedally
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	21
Pages of publication	8448 - 8450
a	12.543 ± 0.003 Å
b	12.896 ± 0.003 Å
c	13.782 ± 0.003 Å
α	97.06 ± 0.03°
β	105.64 ± 0.03°
γ	115.01 ± 0.03°
Cell volume	1872.4 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1193
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for significantly intense reflections	0.1813
Weighted residual factors for all reflections included in the refinement	0.2122
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4339487.cif
117352	2014-06-14	cif/ Adding structures of 4339487 via cif-deposit CGI script.	4339487.cif