Crystallography Open Database

Information card for entry 7205978

7205977 << 7205978 >> 7205979

Preview

Coordinates	7205978.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H20 Be3 N2 O12 P4
Calculated formula	C4 H20 Be3 N2 O12 P4
SMILES	C[NH2+]C.O=P([O-])[O-].[Be+2].[O-]P(=O)[O-].[Be+2].C[NH2+]C.O=P([O-])[O-].[Be+2].[O-]P(=O)[O-]
Title of publication	(C2H8N)2[Be3(HPO3)4]: a low-density beryllium phosphite with large 16-membered rings and helical channels
Authors of publication	Luo, Xiuchao; Luo, Daibing; Gong, Maochu; Chen, Yaoqiang; Lin, Zhien
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	11
Pages of publication	3646
a	14.6905 ± 0.0008 Å
b	8.0472 ± 0.0004 Å
c	15.8688 ± 0.0002 Å
α	90°
β	112.929 ± 0.007°
γ	90°
Cell volume	1727.74 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0486
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.0896
Weighted residual factors for all reflections included in the refinement	0.0939
Goodness-of-fit parameter for all reflections included in the refinement	1.107
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
180390 (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 7/20/59.	7205978.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205978.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205978.cif
21302	2011-06-22	../uploads/cif-deposit/cod/cif Adding structures of 7205978 via cif-deposit CGI script.	7205978.cif