Crystallography Open Database

Information card for entry 4068907

Preview

Coordinates	4068907.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H47 Cl N O P2 Rh
Calculated formula	C26 H47 Cl N O P2 Rh
SMILES	[Rh]12(Cl)([P](Cc3c2c(c(cc3C)C)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)N=O
Title of publication	Synthesis, Structure, and Reactivity of Nitrosyl Pincer-Type Rhodium Complexes
Authors of publication	Gaviglio, Carina; Ben-David, Yehoshoa; Shimon, Linda J. W.; Doctorovich, Fabio; Milstein, David
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	6
Pages of publication	1917
a	8.6274 ± 0.0002 Å
b	23.1733 ± 0.0007 Å
c	14.4164 ± 0.0004 Å
α	90°
β	94.4112 ± 0.0018°
γ	90°
Cell volume	2873.67 ± 0.14 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0655
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.0858
Weighted residual factors for all reflections included in the refinement	0.0956
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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
178579 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/89.	4068907.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068907.cif
40035	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068907 via cif-deposit CGI script.	4068907.cif