Crystallography Open Database

Information card for entry 4135499

Preview

Coordinates	4135499.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H39 O4 P2 Re
Calculated formula	C24 H39 O4 P2 Re
Title of publication	Temperature and Solvent Effects on H<sub>2</sub> Splitting and Hydricity: Ramifications on CO<sub>2</sub> Hydrogenation by a Rhenium Pincer Catalyst.
Authors of publication	Hu, Jenny; Bruch, Quinton J.; Miller, Alexander J. M.
Journal of publication	Journal of the American Chemical Society
Year of publication	2021
Journal volume	143
Journal issue	2
Pages of publication	945 - 954
a	8.1984 ± 0.0005 Å
b	13.376 ± 0.0007 Å
c	24.3513 ± 0.0017 Å
α	79.938 ± 0.003°
β	86.858 ± 0.003°
γ	84.443 ± 0.002°
Cell volume	2615 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 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	0.0223
Residual factor for significantly intense reflections	0.0215
Weighted residual factors for significantly intense reflections	0.0499
Weighted residual factors for all reflections included in the refinement	0.0503
Goodness-of-fit parameter for all reflections included in the refinement	1.164
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
261499 (current)	2021-02-04	cif/ Updating files of 4135498, 4135499 Original log message: Adding full bibliography for 4135498--4135499.cif.	4135499.cif
260346	2021-01-02	cif/ Adding structures of 4135498, 4135499 via cif-deposit CGI script.	4135499.cif