Crystallography Open Database

Information card for entry 4320315

4320314 << 4320315 >> 4320316

Preview

Coordinates	4320315.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H33 N2 O2 Rh S2
Calculated formula	C18 H33 N2 O2 Rh S2
SMILES	[Rh]1234(N(S(=O)C(C)(C)C)C(=N[S]1(=O)C(C)(C)C)C)[CH]1=[CH]2CC[CH]3=[CH]4CC1
Title of publication	Synthesis and Crystal Structure of a Unique and Homochiral N,S-Bonded N,N'-Bis(tert-butanesulfinyl)amidinate Rhodium(I) Complex
Authors of publication	Andrew J. Souers; Timothy D. Owens; Allen G. Oliver; Frederick J. Hollander; Jonathan A. Ellman
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	5299 - 5301
a	9.7213 ± 0.0001 Å
b	10.9246 ± 0.0002 Å
c	19.3747 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2057.62 ± 0.06 Å³
Cell temperature	174.2 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 significantly intense reflections	0.0195
Weighted residual factors for all reflections included in the refinement	0.0212
Goodness-of-fit parameter for all reflections included in the refinement	0.782
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4320315.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320315.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320315.cif
17219	2011-04-05	../uploads/cif-deposit/cod/cif Adding structures of 4320315 via cif-deposit CGI script.	4320315.cif