Crystallography Open Database

Information card for entry 1568804

Preview

Coordinates	1568804.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[(NDipp)2(CMe)2(C5H3N)]Rh(CCH)
Formula	C35 H44 N3 Rh
Calculated formula	C35 H44 N3 Rh
Title of publication	Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand
Authors of publication	Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.
Journal of publication	Chemical Science
Year of publication	2023
Journal volume	14
Journal issue	17
Pages of publication	4627 - 4632
a	10.4302 ± 0.0001 Å
b	24.0268 ± 0.0002 Å
c	12.3185 ± 0.0001 Å
α	90°
β	93.201 ± 0.001°
γ	90°
Cell volume	3082.25 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0302
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0741
Weighted residual factors for all reflections included in the refinement	0.0748
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283145 (current)	2023-05-05	cif/ Updating files of 1568803, 1568804, 1568805, 1568806, 1568807, 1568808, 1568809, 1568810, 1568811, 1568812, 1568813, 1568814 Original log message: Adding full bibliography for 1568803--1568814.cif.	1568804.cif
282486	2023-04-07	cif/ Adding structures of 1568803, 1568804, 1568805, 1568806, 1568807, 1568808, 1568809, 1568810, 1568811, 1568812, 1568813, 1568814 via cif-deposit CGI script.	1568804.cif