Crystallography Open Database

Information card for entry 4350795

Preview

Coordinates	4350795.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H84 Cl4 N4 P4 Re2
Calculated formula	C44 H84 Cl4 N4 P4 Re2
Title of publication	Electronic and Spin-State Effects on Dinitrogen Splitting to Nitrides in a Rhenium Pincer System.
Authors of publication	Weber, Jeremy E.; Hasanayn, Faraj; Fataftah, Majed; Mercado, Brandon Q.; Crabtree, Robert H.; Holland, Patrick L.
Journal of publication	Inorganic chemistry
Year of publication	2021
Journal volume	60
Journal issue	9
Pages of publication	6115 - 6124
a	17.3984 ± 0.0002 Å
b	17.3984 ± 0.0002 Å
c	16.7004 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	5055.28 ± 0.12 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0194
Residual factor for significantly intense reflections	0.0186
Weighted residual factors for significantly intense reflections	0.0463
Weighted residual factors for all reflections included in the refinement	0.0468
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4350795.html