Crystallography Open Database

Information card for entry 7206329

7206328 << 7206329 >> 7206330

Preview

Coordinates	7206329.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H26 N4 O14 Sr
Calculated formula	C22 H26 N4 O14 Sr
SMILES	C(=O)([O-])c1c(C(=O)O)nc(c2ccccc2)[nH]1.[Sr]([OH2])([OH2])([OH2])[OH2].C(=O)(c1c(C(=O)O)nc(c2ccccc2)[nH]1)[O-].O.O
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	27.28 ± 0.003 Å
b	31.413 ± 0.004 Å
c	6.6156 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	5669.2 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0312
Residual factor for significantly intense reflections	0.0243
Weighted residual factors for significantly intense reflections	0.0539
Weighted residual factors for all reflections included in the refinement	0.0559
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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.	7206329.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206329.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206329.cif
23603	2011-08-09	../uploads/cif-deposit/cod/cif Adding structures of 7206326, 7206327, 7206328, 7206329 via cif-deposit CGI script.	7206329.cif