Crystallography Open Database

Information card for entry 4306282

Preview

Coordinates	4306282.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H4 Ni O4 P
Calculated formula	C6 H4 Ni O4 P
Title of publication	Comparison of the Structure and Magnetic Order in a Series of Layered Ni(II) Organophosphonates, Ni[(RPO3)(H2O)] (R = C6H5, CH3, C18H37)
Authors of publication	Elvira M. Bauer; Carlo Bellitto; Guido Righini; Marcello Colapietro; Gustavo Portalone; Marc Drillon; Pierre Rabu
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	10945 - 10952
a	5.54853 ± 0.00019 Å
b	14.3919 ± 0.0005 Å
c	4.79766 ± 0.00013 Å
α	90°
β	90°
γ	90°
Cell volume	383.11 ± 0.02 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	31
Hermann-Mauguin space group symbol	P m n 21
Hall space group symbol	P 2ac -2
Residual factor for all reflections	0.0393
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0909
Weighted residual factors for all reflections included in the refinement	0.092
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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.	4306282.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4306282.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4306282.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4306282.cif