Crystallography Open Database

Information card for entry 4116119

Preview

Coordinates	4116119.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Rh2(TBSP)4(DMF)2].0.5toluene.0.5n-pentane
Chemical name	tetrakis[1-[(4-tert-butylphenyl)sulfonyl] -(2S)-pyrrolidinecarboxylate]dirhodium(II)
Formula	C72 H104 N6 O18 Rh2 S4
Calculated formula	C72 H104 N6 O18 Rh2 S4
Title of publication	Supercritical and Liquid Solvent Effects on the Enantioselectivity of Asymmetric Cyclopropanation with Tetrakis[1-[(4-tert-butylphenyl)- sulfonyl]-(2S)-pyrrolidinecarboxylate]dirhodium(II)
Authors of publication	Dolores C. Wynne; Marilyn M. Olmstead; Philip G. Jessop
Journal of publication	Journal of the American Chemical Society
Year of publication	2000
Journal volume	122
Pages of publication	7638 - 7647
a	10.6911 ± 0.0005 Å
b	24.4434 ± 0.0011 Å
c	29.7425 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	7772.5 ± 0.6 Å³
Cell temperature	91 ± 2 K
Ambient diffraction temperature	91 ± 2 K
Number of distinct elements	6
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	0.131
Residual factor for significantly intense reflections	0.059
Weighted residual factors for significantly intense reflections	0.1096
Weighted residual factors for all reflections included in the refinement	0.1306
Goodness-of-fit parameter for all reflections included in the refinement	0.902
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
178932 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/61.	4116119.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4116119.cif
70698	2013-01-04	cif/ Adding structures of 4116119 via cif-deposit CGI script.	4116119.cif