Crystallography Open Database

Information card for entry 8102593

Preview

Coordinates	8102593.cif

Structure parameters

Chemical name	Bis(O-phthalate) (oxalate) (tetra-aqua) bineodymium(III) monohydrate
Formula	C18 H18 Nd2 O17
Calculated formula	C18 H18 Nd2 O17
Title of publication	Crystal structure of tetraaqua-bis(o-phthalato)-(oxalato)dineodymium(III) monohydrate, Nd2(H2O)4(C8H4O4)2(C2O4) · H2O
Authors of publication	Yue-Bao Li; Mei-Qin Zha; Jian-Guo Pan; Xing Li
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	1
Pages of publication	143
a	19.6994 ± 0.0007 Å
b	6.0136 ± 0.0002 Å
c	20.4762 ± 0.0007 Å
α	90°
β	110.953 ± 0.001°
γ	90°
Cell volume	2265.3 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0384
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0644
Weighted residual factors for all reflections included in the refinement	0.0696
Goodness-of-fit parameter for all reflections included in the refinement	1.164
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	8102593.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102593.cif
13332	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102593 via cif-deposit CGI script.	8102593.cif