Crystallography Open Database

Information card for entry 7012381

Preview

Coordinates	7012381.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H8 Mn N O5 P
Calculated formula	C6 H8 Mn N O5 P
Title of publication	{M(C5H4N)CH(OH)PO3}(H2O) (M = Mn, Fe, Co): layered compounds based on [hydroxy(4-pyridyl)methyl]phosphonate
Authors of publication	Yi, Xiao-Yi; Zheng, Li-Min; Xu, Wei; Chen, Jie-Sheng
Journal of publication	Dalton Transactions
Year of publication	2003
Journal issue	5
Pages of publication	953
a	23.06 ± 0.004 Å
b	5.233 ± 0.001 Å
c	16.412 ± 0.003 Å
α	90°
β	121.555 ± 0.003°
γ	90°
Cell volume	1687.6 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0633
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.0721
Weighted residual factors for all reflections included in the refinement	0.0775
Goodness-of-fit parameter for all reflections included in the refinement	0.89
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
213973 (current)	2019-03-05	cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries.	7012381.cif
179827	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/23.	7012381.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7012381.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7012381.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7012381.cif