Crystallography Open Database

Information card for entry 1546342

Preview

Coordinates	1546342.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H46 B18 N8 O70 V12
Calculated formula	C8 H46 B18 N8 O70 V12
Title of publication	Proton conduction in a new 3-D open-framework vanadoborate with an abundant hydrogen bond system
Authors of publication	Liu, Xinxin; Zhang, Dan; Li, Lingyun; Sun, Xuejiao; Zhang, Le; Yuan, Hongming
Journal of publication	Dalton Transactions
Year of publication	2017
Journal volume	46
Journal issue	28
Pages of publication	9103 - 9109
a	22.7963 ± 0.0011 Å
b	14.7612 ± 0.0008 Å
c	21.9272 ± 0.0012 Å
α	90°
β	108.118 ± 0.002°
γ	90°
Cell volume	7012.7 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	172.99 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	0.054
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.1128
Weighted residual factors for all reflections included in the refinement	0.1191
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
282777 (current)	2023-04-20	cod/ (saulius@starta) Updating COD bibliographies for 271 COD entries identified by R.M.	1546342.cif
197907	2017-06-17	cif/ Adding structures of 1546342 via cif-deposit CGI script.	1546342.cif