Crystallography Open Database

Information card for entry 4107740

Preview

Coordinates	4107740.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H18 N3 O Rh
Calculated formula	C19 H18 N3 O Rh
SMILES	[Rh]1234([n]5ccccc5C(=O)N1Cc1ncccc1)[CH]1=[CH]2C2CC1[CH]3=[CH]42
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	7.365 ± 0.0006 Å
b	10.5869 ± 0.0009 Å
c	11.1271 ± 0.0009 Å
α	107.099 ± 0.001°
β	93.07 ± 0.001°
γ	109.79 ± 0.001°
Cell volume	768.89 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0211
Weighted residual factors for significantly intense reflections	0.0532
Weighted residual factors for all reflections included in the refinement	0.0538
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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.	4107740.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107740.cif
55889	2012-05-07	cif/ Adding structures of 4107740 via cif-deposit CGI script.	4107740.cif