Crystallography Open Database

Information card for entry 4311370

Preview

Coordinates	4311370.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H11 N Ni O6
Calculated formula	C5 H3 N0.99 Ni O6
Title of publication	Perovskite-like Metal Formates with Weak Ferromagnetism and as Precursors to Amorphous Materials
Authors of publication	Xin-Yi Wang; Lin Gan; Shi-Wei Zhang; Song Gao
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	4615 - 4625
a	8.1989 ± 0.0012 Å
b	8.1989 ± 0.0012 Å
c	22.224 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	1293.8 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0244
Residual factor for significantly intense reflections	0.0199
Weighted residual factors for significantly intense reflections	0.0476
Weighted residual factors for all reflections included in the refinement	0.0482
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
179152 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/13.	4311370.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311370.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311370.cif
2867	2010-11-12	../uploads/cif-deposit/cod/cif Adding structures of 4311370 via cif-deposit CGI script.	4311370.cif