Crystallography Open Database

Information card for entry 4515598

Preview

Coordinates	4515598.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H93 N6 O4 Zn2
Calculated formula	C55 H93 N6 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	12.7688 ± 0.0002 Å
b	13.881 ± 0.0003 Å
c	17.4955 ± 0.0003 Å
α	76.808 ± 0.001°
β	73.779 ± 0.001°
γ	84.324 ± 0.001°
Cell volume	2896.9 ± 0.09 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 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	0.0479
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.1143
Weighted residual factors for all reflections included in the refinement	0.1181
Goodness-of-fit parameter for all reflections included in the refinement	1.0462
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
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.	4515598.cif