Crystallography Open Database

Information card for entry 1514516

Preview

Coordinates	1514516.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H29 Cl2 F24 N3 O9 P4 Rh2
Calculated formula	C26 H29 Cl2 F24 N3 O9 P4 Rh2
SMILES	COc1ccc(cc1)N=C1[Rh]23([Rh]1(Cl)([P](N([P]3(OCC(F)(F)F)OCC(F)(F)F)C)(OCC(F)(F)F)OCC(F)(F)F)[P](N([P]2(OCC(F)(F)F)OCC(F)(F)F)C)(OCC(F)(F)F)OCC(F)(F)F)Cl
Title of publication	Halogen Photoelimination from Dirhodium Phosphazane Complexes via Chloride-Bridged Intermediates.
Authors of publication	Powers, David C.; Chambers, Matthew B.; Teets, Thomas S.; Elgrishi, Noémie; Anderson, Bryce L.; Nocera, Daniel G.
Journal of publication	Chemical science (Royal Society of Chemistry : 2010)
Year of publication	2013
Journal volume	4
Journal issue	7
Pages of publication	2880
a	12.0403 ± 0.0008 Å
b	19.3984 ± 0.0013 Å
c	20.6248 ± 0.0014 Å
α	90°
β	106.961 ± 0.001°
γ	90°
Cell volume	4607.7 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0674
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.086
Weighted residual factors for all reflections included in the refinement	0.1006
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1514516.cif
110169	2014-04-18	cif/ Adding structures of 1514514, 1514515, 1514516, 1514517, 1514518 via cif-deposit CGI script.	1514516.cif