Crystallography Open Database

Information card for entry 4130788

Preview

Coordinates	4130788.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C1.17 H0.53 O0.24 Zr0.05
Calculated formula	C1.17343 H0.531365 O0.243542 Zr0.0479705
Title of publication	Single-Site Cobalt Catalysts at New Zr8(μ2-O)8(μ2-OH)4 Metal-Organic Framework Nodes for Highly Active Hydrogenation of Alkenes, Imines, Carbonyls, and Heterocycles.
Authors of publication	Ji, Pengfei; Manna, Kuntal; Lin, Zekai; Urban, Ania; Greene, Francis X.; Lan, Guangxu; Lin, Wenbin
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	37
Pages of publication	12234 - 12242
a	41.512 ± 0.004 Å
b	41.512 ± 0.004 Å
c	41.512 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	71535 ± 12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.2 K
Number of distinct elements	4
Space group number	223
Hermann-Mauguin space group symbol	P m -3 n
Hall space group symbol	-P 4n 2 3
Residual factor for all reflections	0.2586
Residual factor for significantly intense reflections	0.1276
Weighted residual factors for significantly intense reflections	0.3136
Weighted residual factors for all reflections included in the refinement	0.3628
Goodness-of-fit parameter for all reflections included in the refinement	1.122
Diffraction radiation wavelength	0.41328 Å
Diffraction radiation type	synchrotronradiation
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
241157 (current)	2019-11-25	cif/ Adding structures of 4130788 via cif-deposit CGI script.	4130788.cif