Crystallography Open Database

Information card for entry 4107739

Preview

Coordinates	4107739.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H27 N3 Rh2
Calculated formula	C26 H27 N3 Rh2
SMILES	[Rh]12345([n]6ccccc6C[N]1([Rh]1678[CH]9=[CH]6C%10[CH]7=[CH]8C9C%10)C2c2[n]1cccc2)[CH]1=[CH]3C2[CH]4=[CH]5C1C2
Title of publication	Deprotonation Induced Ligand-to-Metal Electron Transfer: Synthesis of a Mixed-Valence Rh(-I,I) Dinuclear Compound and Its Reaction with Dioxygen
Authors of publication	Cristina Tejel; Miguel A. Ciriano; M. Pilar del Río; Fieke van den Bruele; Dennis G. H. Hetterscheid; Nearchos Tsichlis i Spithas; Bas de Bruin
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	5844 - 5845
a	9.433 ± 0.002 Å
b	21.488 ± 0.006 Å
c	10.523 ± 0.002 Å
α	90°
β	92.052 ± 0.013°
γ	90°
Cell volume	2131.6 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0431
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.073
Weighted residual factors for all reflections included in the refinement	0.0764
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
178823 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/77.	4107739.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107739.cif
55888	2012-05-07	cif/ Adding structures of 4107739 via cif-deposit CGI script.	4107739.cif