Crystallography Open Database

Information card for entry 4109239

Preview

Coordinates	4109239.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	dirhodium caprolactamate hydrate triflate
Chemical name	Di-rhodium(II/III) tetra-caprolactamate dihydrate triflate
Formula	C25 H44 F3 N4 O9 Rh2 S
Calculated formula	C25 H44 F3 N4 O9 Rh2 S
Title of publication	Bis(phenyl)dirhodium(III) Caprolactamate: A Dinuclear Paddlewheel Complex with No Metal-Metal Bond
Authors of publication	Jason M. Nichols; Joffrey Wolf; Peter Zavalij; Bindhu Varughese; Michael P. Doyle
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	3504 - 3505
a	24.663 ± 0.004 Å
b	7.1764 ± 0.0013 Å
c	21.213 ± 0.004 Å
α	90°
β	121.245 ± 0.003°
γ	90°
Cell volume	3210 ± 1 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0478
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.077
Weighted residual factors for all reflections included in the refinement	0.0796
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178838 (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 4/10/92.	4109239.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109239.cif
57994	2012-05-23	cif/ Adding structures of 4109239 via cif-deposit CGI script.	4109239.cif