Crystallography Open Database

Information card for entry 1519333

1519332 << 1519333 >> 1519334

Preview

Coordinates	1519333.cif

Structure parameters

Formula	C66 H66 P4 Ru Si2
Calculated formula	C66 H66 P4 Ru Si2
SMILES	c1(ccccc1)[P]1(c2ccccc2)CC[P](c2ccccc2)(c2ccccc2)[Ru]21(C#CC#C[Si](C)(C)C)(C#CC#C[Si](C)(C)C)[P](c1ccccc1)(c1ccccc1)CC[P]2(c1ccccc1)c1ccccc1
Title of publication	trans-bis(1,2-bis(Diphenylphosphino)ethane-Io2P,P')-bis(4-(trinethylsilyl) buta-1,3-diynyl)-ruthenium(ii)
Authors of publication	Hursthouse, Michael B.; Light, Mark E.; Coles, Simon J.; Coe, B. J.; Brookes, N. J.; Anderson, J. N.
Journal of publication	Crystal Structure Report Archive
Year of publication	2001
Pages of publication	133
a	12.677 ± 0.003 Å
b	16.058 ± 0.003 Å
c	16.085 ± 0.003 Å
α	110.32 ± 0.03°
β	93.16 ± 0.03°
γ	96.36 ± 0.03°
Cell volume	3036.3 ± 1.3 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	0.0753
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.1093
Weighted residual factors for all reflections included in the refinement	0.1216
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
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.	1519333.cif
135684	2015-05-07	cif/ Adding structures of 1519333 via cif-deposit CGI script.	1519333.cif