Crystallography Open Database

Information card for entry 1568975

Preview

Coordinates	1568975.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H80 N6 O16 Ru4
Calculated formula	C64 H80 N6 O16 Ru4
Title of publication	On the mechanism of intermolecular nitrogen-atom transfer from a lattice-isolated diruthenium nitride intermediate.
Authors of publication	Cosio, Mario N.; Alharbi, Waad S.; Sur, Aishanee; Wang, Chen-Hao; Najafian, Ahmad; Cundari, Thomas R.; Powers, David C.
Journal of publication	Faraday discussions
Year of publication	2023
Journal volume	244
Journal issue	0
Pages of publication	154 - 168
a	11.2116 ± 0.0009 Å
b	17.2969 ± 0.0013 Å
c	19.8432 ± 0.0015 Å
α	64.903 ± 0.002°
β	89.935 ± 0.002°
γ	74.563 ± 0.002°
Cell volume	3331.4 ± 0.5 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 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	0.1035
Residual factor for significantly intense reflections	0.0842
Weighted residual factors for significantly intense reflections	0.1766
Weighted residual factors for all reflections included in the refinement	0.185
Goodness-of-fit parameter for all reflections included in the refinement	1.25
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
286133 (current)	2023-09-05	cif/ Updating files of 1568975 Original log message: Adding full bibliography for 1568975.cif.	1568975.cif
282869	2023-04-27	cif/ Adding structures of 1568975 via cif-deposit CGI script.	1568975.cif