Crystallography Open Database

Information card for entry 7112121

Preview

Coordinates	7112121.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48.75 H35.5 Cl2.5 N6 Rh
Calculated formula	C48.753 H35.506 Cl2.506 N6 Rh
Title of publication	Springloaded porphyrin NHC hybrid rhodium(III) complexes: carbene dissociation and oxidation catalysis
Authors of publication	Juan Olguin; Helge Muller-Bunz; Martin Albrecht
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	3488
a	9.6618 ± 0.0001 Å
b	17.3989 ± 0.0002 Å
c	25.1987 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	4236.02 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0363
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0801
Weighted residual factors for all reflections included in the refinement	0.0829
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7112121.cif
105898	2014-03-14	cif/ Adding structures of 7112120, 7112121, 7112122 via cif-deposit CGI script.	7112121.cif