Crystallography Open Database

Information card for entry 7000198

Preview

Coordinates	7000198.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H42 N4 Os P2
Calculated formula	C55 H42 N4 Os P2
SMILES	[Os]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)(C(=C(C#N)C#N)C=C(C#N)C#N)[cH]5[cH]1[cH]2[cH]3[cH]45.c1ccccc1
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	9.8081 ± 0.0007 Å
b	10.9462 ± 0.0008 Å
c	21.134 ± 0.002 Å
α	95.985 ± 0.002°
β	90.544 ± 0.002°
γ	102.438 ± 0.002°
Cell volume	2202.5 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0349
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for significantly intense reflections	0.0607
Weighted residual factors for all reflections included in the refinement	0.0624
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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.	7000198.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7000198.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000198.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000198.cif