Crystallography Open Database

Information card for entry 4001857

Preview

Coordinates	4001857.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H36 B18 N6 O61 V12 Zn2
Calculated formula	C8 H36 B18 N6 O61 V12 Zn2
Title of publication	3D Open-Framework Vanadoborate as a Highly Effective Heterogeneous Pre-catalyst for the Oxidation of Alkylbenzenes
Authors of publication	Chen, Hong; Deng, Youqian; Yu, Zhengbao; Zhao, Huishuang; Yao, Qingxia; Zou, Xiaodong; Bäckvall, Jan-E.; Sun, Junliang
Journal of publication	Chemistry of Materials
Year of publication	2013
Journal volume	25
Journal issue	24
Pages of publication	5031
a	32.7924 ± 0.0001 Å
b	32.7924 ± 0.0001 Å
c	28.322 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	30455.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Number of distinct elements	7
Space group number	142
Hermann-Mauguin space group symbol	I 41/a c d :2
Hall space group symbol	-I 4bd 2c
Residual factor for all reflections	0.0368
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.1694
Weighted residual factors for all reflections included in the refinement	0.172
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4001857.html