Crystallography Open Database

Information card for entry 7209292

7209291 << 7209292 >> 7209293

Preview

Coordinates	7209292.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H6 Be4 O12
Calculated formula	C10 H6 Be4 O12
SMILES	c1c(C(=O)[O-])c(cc(C(=O)[O-])c1C(=O)[O-])C(=O)[O-].[OH-].[Be+2].[OH-].[OH-].[OH-].[Be+2].[Be+2].[Be+2]
Title of publication	Crystalline beryllium carboxylate frameworks containing inorganic chains of BeO4 tetrahedra
Authors of publication	Kang, Maoping; Luo, Daibing; Lin, Zhien; Thiele, Günther; Dehnen, Stefanie
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	10
Pages of publication	1845
a	10.3705 ± 0.0004 Å
b	11.2422 ± 0.0006 Å
c	18.403 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2145.55 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	66
Hermann-Mauguin space group symbol	C c c m
Hall space group symbol	-C 2 2c
Residual factor for all reflections	0.0708
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.1554
Weighted residual factors for all reflections included in the refinement	0.1649
Goodness-of-fit parameter for all reflections included in the refinement	1.124
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
180423 (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 7/20/92.	7209292.cif
75575	2013-03-10	cif/ Adding structures of 7209291, 7209292 via cif-deposit CGI script.	7209292.cif