Crystallography Open Database

Information card for entry 7000200

Preview

Coordinates	7000200.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H42 N2 O P2 Ru
Calculated formula	C43 H42 N2 O P2 Ru
SMILES	[Ru]12345([P](c6ccccc6)(c6ccccc6)CC[P]1(c1ccccc1)c1ccccc1)(C#CC(=C(C#N)C#N)OC)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
Title of publication	Tricyanovinylalkynyl‒metal complexes: synthesis and some reactions
Authors of publication	Bruce, Michael I.; Burgun, Aléxandre; Kramarczuk, Kathy A.; Nicholson, Brian K.; Parker, Christian R.; Skelton, Brian W.; White, Allan H.; Zaitseva, Natasha N.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	1
Pages of publication	33 - 36
a	23.8872 ± 0.0008 Å
b	15.8051 ± 0.0004 Å
c	21.3047 ± 0.0006 Å
α	90°
β	113.464 ± 0.004°
γ	90°
Cell volume	7378.3 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.1103
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.0755
Weighted residual factors for all reflections included in the refinement	0.0898
Goodness-of-fit parameter for all reflections included in the refinement	0.987
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7000200.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7000200.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000200.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000200.cif