Crystallography Open Database

Information card for entry 4515600

Preview

Coordinates	4515600.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H84 N4 O4 Zn2
Calculated formula	C60 H84 N4 O4 Zn2
Title of publication	Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity
Authors of publication	Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng
Journal of publication	ACS Catalysis
Year of publication	2018
Journal volume	8
Journal issue	5
Pages of publication	4710
a	13.4707 ± 0.0011 Å
b	14.5272 ± 0.0013 Å
c	16.2991 ± 0.0014 Å
α	88.145 ± 0.002°
β	89.86 ± 0.001°
γ	65.496 ± 0.001°
Cell volume	2900.6 ± 0.4 Å³
Cell temperature	130 K
Ambient diffraction temperature	130 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.064
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0919
Weighted residual factors for all reflections included in the refinement	0.1024
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
225744 (current)	2019-11-10	cif/ Adding structures of 4515594, 4515595, 4515596, 4515597, 4515598, 4515599, 4515600 via cif-deposit CGI script.	4515600.cif