Crystallography Open Database

Information card for entry 7010695

Preview

Coordinates	7010695.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H26 F10 O4 P Rh S
Calculated formula	C17 H26 F10 O4 P Rh S
SMILES	[Rh]1234([c]5([c]4([c]3([c]2([c]15C)C)C)C)C)(C(C(C(F)(F)F)(F)F)(F)F)([P](C)(C)C)[OH2].C(F)(F)(F)S(=O)(=O)[O-]
Title of publication	Water, water, everywhere.† Synthesis and structures of perfluoroalkyl rhodium and iridium(III) compounds containing water ligands
Authors of publication	Hughes, Russell P.; Lindner, Danielle C.; Smith, Jeremy M.; Zhang, Donghui; Incarvito, Christopher D.; Lam, Kin-Chung; Liable-Sands, Louise M.; Sommer, Roger D.; Rheingold, Arnold L.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2001
Journal issue	15
Pages of publication	2270
a	7.9856 ± 0.0002 Å
b	10.2371 ± 0.0002 Å
c	15.1273 ± 0.0004 Å
α	83.216 ± 0.001°
β	85.286 ± 0.002°
γ	82.055 ± 0.001°
Cell volume	1213.47 ± 0.05 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0464
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.1122
Weighted residual factors for all reflections included in the refinement	0.113
Goodness-of-fit parameter for all reflections included in the refinement	1.134
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
179810 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/06.	7010695.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7010695.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7010695.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7010695.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7010695.cif