Crystallography Open Database

Information card for entry 7036786

Preview

Coordinates	7036786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H88 B20 Cu4 N16 Na2 O75 V12
Calculated formula	C16 H88 B20 Cu4 N16 Na2 O75 V12
Title of publication	Employing a new 12-connected topological open-framework copper borovanadate as an effective heterogeneous catalyst for oxidation of benzyl-alkanes.
Authors of publication	Feng, Yuquan; Ding, Chenghua; Fan, Huitao; Zhong, Zhiguo; Qiu, Dongfang; Shi, Hengzhen
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	43
Pages of publication	18731 - 18736
a	12.4021 ± 0.0015 Å
b	25.291 ± 0.003 Å
c	16.5039 ± 0.0015 Å
α	90°
β	121.51 ± 0.006°
γ	90°
Cell volume	4413.3 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0426
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.1038
Weighted residual factors for all reflections included in the refinement	0.1063
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
171223 (current)	2015-12-09	cif/ Updating files of 7036786 Original log message: Adding full bibliography for 7036786.cif.	7036786.cif
160981	2015-10-08	cif/ Adding structures of 7036786 via cif-deposit CGI script.	7036786.cif