Crystallography Open Database

Information card for entry 7013270

Preview

Coordinates	7013270.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50.7 H41.4 Cl1.4 F6 N P3 Ru
Calculated formula	C50.695 H41.39 Cl1.39 F6 N P3 Ru
Title of publication	Cyanoacetylenes and cyanoacetylides: versatile ligands in organometallic chemistry
Authors of publication	Richard L. Cordiner; Deborah Corcoran; Dmitri S. Yufit; Andrés E. Goeta; Judith A. K. Howard; Paul J. Low
Journal of publication	Dalton Trans.
Year of publication	2003
Journal issue	18
Pages of publication	3541 - 3549
a	10.3647 ± 0.0005 Å
b	35.1128 ± 0.0016 Å
c	12.9836 ± 0.0006 Å
α	90°
β	104.145 ± 0.002°
γ	90°
Cell volume	4581.9 ± 0.4 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	0.0898
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for significantly intense reflections	0.1327
Weighted residual factors for all reflections included in the refinement	0.1395
Goodness-of-fit parameter for all reflections included in the refinement	1.147
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7013270.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7013270.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7013270.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7013270.cif