Crystallography Open Database

Information card for entry 8102470

Preview

Coordinates	8102470.cif

Structure parameters

Formula	C6 H8 Ce N2 O7
Calculated formula	C6 H8 Ce N2 O7
Title of publication	Crystal structure of triaqua-(pyrazine-2,3- dicarboxylato)cerium(III), Ce(H2O)3(C6H2N2O4)
Authors of publication	Xun Feng; Jian-She Zhao; Xin-Ge Shi; Fang Ruan
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	1
Pages of publication	71
a	5.7479 ± 0.0008 Å
b	10.9085 ± 0.0015 Å
c	15.37 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	963.7 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0464
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.1211
Weighted residual factors for all reflections included in the refinement	0.1233
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8102470.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102470.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102470.cif
13209	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102470 via cif-deposit CGI script.	8102470.cif