Crystallography Open Database

Information card for entry 7205331

7205330 << 7205331 >> 7205332

Preview

Coordinates	7205331.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H19 Cu2 N4 O11.5
Calculated formula	C16 H16 Cu2 N4 O11.5
Title of publication	The construction of coordination networks based on imidazole-based dicarboxylate ligand containing hydroxymethyl group
Authors of publication	Zheng, Sheng-Run; Cai, Song-Liang; Pan, Mei; Fan, Jun; Xiao, Tian-Tian; Zhang, Wei-Guang
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	3
Pages of publication	883
a	9.7125 ± 0.0016 Å
b	18.472 ± 0.003 Å
c	11.85 ± 0.002 Å
α	90°
β	94.31 ± 0.002°
γ	90°
Cell volume	2120 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0495
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.1179
Weighted residual factors for all reflections included in the refinement	0.1262
Goodness-of-fit parameter for all reflections included in the refinement	0.944
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7205331.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205331.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205331.cif
14618	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 7205329, 7205330, 7205331 via cif-deposit CGI script.	7205331.cif