Crystallography Open Database

Information card for entry 7001230

Preview

Coordinates	7001230.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H34 F7 I N P2 Rh
Calculated formula	C29 H34 F7 I N P2 Rh
SMILES	[Rh](I)([P](c1ccccc1)(C)C)([P](c1ccccc1)(C)C)(C)(C(F)(F)C(F)(F)C(F)(F)F)C#[N]c1c(cccc1C)C
Title of publication	Synthesis of rhodium(i) and rhodium(iii) perfluoroalkyl complexes from [Rh(μ-OH)(COD)]2
Authors of publication	Vicente, José; Gil-Rubio, Juan; Guerrero-Leal, Juan; Bautista, Delia
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	19
Pages of publication	3854 - 3866
a	11.4084 ± 0.0005 Å
b	11.6334 ± 0.0005 Å
c	13.1497 ± 0.0006 Å
α	88.019 ± 0.002°
β	76.668 ± 0.002°
γ	69.908 ± 0.002°
Cell volume	1592.92 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0201
Residual factor for significantly intense reflections	0.0191
Weighted residual factors for significantly intense reflections	0.0469
Weighted residual factors for all reflections included in the refinement	0.0474
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
179709 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/12.	7001230.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7001230.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7001230.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7001230.cif