Crystallography Open Database

Information card for entry 7209289

7209288 << 7209289 >> 7209290

Preview

Coordinates	7209289.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B6 Cl2 H10 Na13 O47 P11
Calculated formula	B6 Cl2 Na13 O47 P11
Title of publication	A novel chlorine-containing borophosphate based on (4,3)-connected 3-D borophosphate anion [B6P11O42(OH)2]13− with unique B : P ratio and 22-tetrahedral cages
Authors of publication	Feng, Yuquan; Li, Min; Shi, Hengzhen; Huang, Qunzeng; Qiu, Dongfang
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	11
Pages of publication	2048
a	20.479 ± 0.007 Å
b	20.479 ± 0.007 Å
c	20.479 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	8589 ± 5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	196
Hermann-Mauguin space group symbol	F 2 3
Hall space group symbol	F 2 2 3
Residual factor for all reflections	0.0541
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.1171
Weighted residual factors for all reflections included in the refinement	0.1187
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7209289.cif
75573	2013-03-10	cif/ Adding structures of 7209289 via cif-deposit CGI script.	7209289.cif