Crystallography Open Database

Information card for entry 4120095

4120094 << 4120095 >> 4120096

Preview

Coordinates	4120095.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H52 B N11 Ni O42 W12
Calculated formula	C38 H48 B N11 Ni O42.5 W12
Title of publication	Engineering Chiral Polyoxometalate Hybrid Metal-Organic Frameworks for Asymmetric Dihydroxylation of Olefins
Authors of publication	Qiuxia Han; Cheng He; Min Zhao; Bo Qi; Jingyang Niu; Chunying Duan
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	10186 - 10189
a	25.266 ± 0.003 Å
b	11.4902 ± 0.0012 Å
c	22.88 ± 0.002 Å
α	90°
β	90.492 ± 0.002°
γ	90°
Cell volume	6642.1 ± 1.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0504
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0751
Weighted residual factors for all reflections included in the refinement	0.0792
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
178977 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/00.	4120095.cif
105650	2014-03-12	cif/ Adding structures of 4120095 via cif-deposit CGI script.	4120095.cif