Crystallography Open Database

Information card for entry 7222443

Preview

Coordinates	7222443.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H72 Be12 N8 O54 P16
Calculated formula	C12 H60 Be12 N8 O48 P16
Title of publication	An open-framework beryllium phosphite with extra-large 18-ring channels
Authors of publication	Wang, Guo-Ming; Li, Jin-Hua; Wei, Li; Han, Song-De; Zhao, Xiao-Meng; Bao, Zhen-Zhen
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	44
Pages of publication	8414
a	18.0026 ± 0.0005 Å
b	18.0026 ± 0.0005 Å
c	13.3316 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	3741.82 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.0929
Residual factor for significantly intense reflections	0.0783
Weighted residual factors for significantly intense reflections	0.1518
Weighted residual factors for all reflections included in the refinement	0.1593
Goodness-of-fit parameter for all reflections included in the refinement	1.228
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
171044 (current)	2015-12-09	cif/ Updating files of 7222443 Original log message: Adding full bibliography for 7222443.cif.	7222443.cif
160595	2015-10-07	cif/ Adding structures of 7222443 via cif-deposit CGI script.	7222443.cif