Crystallography Open Database

Information card for entry 7206327

7206326 << 7206327 >> 7206328

Preview

Coordinates	7206327.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H28 Cd2 N8 O8
Calculated formula	C42 H28 Cd2 N8 O8
Title of publication	2-Phenyl-4,5-imidazole dicarboxylate-based metal‒organic frameworks assembled under hydro(solvo)thermal conditions
Authors of publication	Wang, Wen-Yue; Yang, Ze-Li; Wang, Cheng-Jie; Lu, Hui-Jie; Zang, Shuang-Quan; Li, Gang
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	15
Pages of publication	4895
a	9.3505 ± 0.0004 Å
b	20.6898 ± 0.0009 Å
c	20.1672 ± 0.0009 Å
α	90°
β	101.284 ± 0.002°
γ	90°
Cell volume	3826.1 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0419
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0775
Weighted residual factors for all reflections included in the refinement	0.0849
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
180394 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/63.	7206327.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206327.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206327.cif
23603	2011-08-09	../uploads/cif-deposit/cod/cif Adding structures of 7206326, 7206327, 7206328, 7206329 via cif-deposit CGI script.	7206327.cif