Crystallography Open Database

Information card for entry 4068906

Preview

Coordinates	4068906.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H47 B F4 N O2 P2 Rh
Calculated formula	C27 H47 B F4 N O2 P2 Rh
SMILES	[Rh]12([P](Cc3c2c(c(cc3C)C)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C#[O])N=O.[B](F)(F)(F)[F-]
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	8.214 ± 0.0016 Å
b	22.253 ± 0.005 Å
c	8.355 ± 0.0017 Å
α	90°
β	93.05 ± 0.03°
γ	90°
Cell volume	1525 ± 0.6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	8
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0608
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1234
Weighted residual factors for all reflections included in the refinement	0.1297
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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.	4068906.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068906.cif
40034	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068906 via cif-deposit CGI script.	4068906.cif