Crystallography Open Database

Information card for entry 7218564

Preview

Coordinates	7218564.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H0 Mo8 N4 O27
Calculated formula	C44 Mo8 N4 O27
Title of publication	Olefin epoxidation with hydrogen peroxide using octamolybdate-based self-separating catalysts
Authors of publication	Zhou, Ming-Dong; Liu, Mei-Ju; Huang, Liang-Liang; Zhang, Jian; Wang, Jing-Yun; Li, Xue-Bing; Kühn, Fritz E.; Zang, Shu-Liang
Journal of publication	Green Chem.
Year of publication	2015
Journal volume	17
Journal issue	2
Pages of publication	1186
a	15.6345 ± 0.0009 Å
b	12.1211 ± 0.0007 Å
c	16.5893 ± 0.001 Å
α	90°
β	94.603 ± 0.001°
γ	90°
Cell volume	3133.7 ± 0.3 Å³
Cell temperature	188 ± 2 K
Ambient diffraction temperature	188 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.053
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.1042
Weighted residual factors for all reflections included in the refinement	0.1109
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
180516 (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 7/21/85.	7218564.cif
133451	2015-03-06	cif/ Updating files of 7218563, 7218564 Original log message: Adding full bibliography for 7218563--7218564.cif.	7218564.cif
125721	2014-10-23	cif/ Adding structures of 7218563, 7218564 via cif-deposit CGI script.	7218564.cif