Crystallography Open Database

Information card for entry 4513971

Preview

Coordinates	4513971.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H84 Cd2 Cu N4 O16 V
Calculated formula	C84 H84 Cd2 Cu N4 O16 V
Title of publication	Chiral Metal‒Organic Framework as a Platform for Cooperative Catalysis in Asymmetric Cyanosilylation of Aldehydes
Authors of publication	Zhu, Chengfeng; Xia, Qingchun; Chen, Xu; Liu, Yan; Du, Xia; Cui, Yong
Journal of publication	ACS Catalysis
Year of publication	2016
Journal volume	6
Journal issue	11
Pages of publication	7590
a	33.9506 ± 0.0014 Å
b	35.3214 ± 0.0012 Å
c	13.4377 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	16114.3 ± 1 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	17
Hermann-Mauguin space group symbol	P 2 2 21
Hall space group symbol	P 2c 2
Residual factor for all reflections	0.1264
Residual factor for significantly intense reflections	0.0978
Weighted residual factors for significantly intense reflections	0.2471
Weighted residual factors for all reflections included in the refinement	0.2666
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
188905 (current)	2016-12-05	cif/ Updating files of 4513970, 4513971 Original log message: Adding full bibliography for 4513970--4513971.cif.	4513971.cif
187273	2016-10-12	cif/ Adding structures of 4513970, 4513971 via cif-deposit CGI script.	4513971.cif