Crystallography Open Database

Information card for entry 8102651

Preview

Coordinates	8102651.cif

Structure parameters

Chemical name	aqua-(2,2'-bipyridine-k2N,N')- bis( 4-acetylamino-benzoato-kO)-zinc(II) dihydrate, Zn(H2O)(C10H8N2) (C9H8O3N)2 . 2H2O
Formula	C28 H30 N4 O9 Zn
Calculated formula	C28 H28 N4 O9 Zn
Title of publication	Crystal structure of aqua-(2,2'-bipyridine-k2N,N')-bis(4-acetylaminobenzoato-kO)zinc(II) dihydrate, Zn(H2O)(C10H8N2)(C9H8O3N)2 · 2H2O
Authors of publication	Ying-Qun Yang; Chang-Hong Li; Wei Li; Yun-Fei Kuang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	1
Pages of publication	159
a	10.283 ± 0.002 Å
b	11.175 ± 0.002 Å
c	14.299 ± 0.003 Å
α	70.71 ± 0.03°
β	85.86 ± 0.03°
γ	65.11 ± 0.03°
Cell volume	1402.5 ± 0.7 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0385
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0881
Weighted residual factors for all reflections included in the refinement	0.0901
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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
176728 (current)	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.	8102651.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102651.cif
13390	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102651 via cif-deposit CGI script.	8102651.cif