Crystallography Open Database

Information card for entry 7219469

7219468 << 7219469 >> 7219470

Preview

Coordinates	7219469.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H9 Be3 N O13 P3
Calculated formula	C5 H6 Be3 N O13 P3
Title of publication	Open-framework beryllium phosphates with a zeolitic CrB4topology and their structural analogues containing 12-ring channels
Authors of publication	Wang, Kangcai; Li, Jing; Xu, Dingguo; Luo, Daibing; Lin, Zhien
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	10
Pages of publication	2162
a	4.8173 ± 0.0003 Å
b	12.0871 ± 0.0007 Å
c	12.6085 ± 0.0009 Å
α	62.332 ± 0.007°
β	79.518 ± 0.005°
γ	84.052 ± 0.005°
Cell volume	639.2 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0804
Residual factor for significantly intense reflections	0.0765
Weighted residual factors for significantly intense reflections	0.2028
Weighted residual factors for all reflections included in the refinement	0.2092
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180525 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/94.	7219469.cif
133173	2015-03-06	cif/ Updating files of 7219466, 7219467, 7219468, 7219469 Original log message: Adding full bibliography for 7219466--7219469.cif.	7219469.cif
130901	2015-02-04	cif/ Adding structures of 7219466, 7219467, 7219468, 7219469 via cif-deposit CGI script.	7219469.cif