Crystallography Open Database

Information card for entry 7024263

Preview

Coordinates	7024263.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H67 B Co N2 P3 Pt S2
Calculated formula	C79 H67 B Co N2 P3 Pt S2
SMILES	[Pt]12([n]3c4c5[n]2cccc5ccc4ccc3)SC2=C([Co]342[P](c2ccccc2)(CC(C[P]3(c2ccccc2)c2ccccc2)(C)C[P]4(c2ccccc2)c2ccccc2)c2ccccc2)S1.c1cc(ccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Acetylenedithiolate as directional bridging ligand in cobalt(I) alkyne platinum dithiolato bimetallic complexes.
Authors of publication	Seidel, Wolfram W.; Meel, Matthias J.; Hupka, Florian; Weigand, Jan J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	2
Pages of publication	624 - 631
a	11.1143 ± 0.0006 Å
b	17.6581 ± 0.0012 Å
c	18.2065 ± 0.0011 Å
α	64.204 ± 0.004°
β	89.668 ± 0.004°
γ	89.378 ± 0.005°
Cell volume	3216.9 ± 0.4 Å³
Cell temperature	153 ± 1 K
Ambient diffraction temperature	153 ± 1 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0876
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for significantly intense reflections	0.16
Weighted residual factors for all reflections included in the refinement	0.1737
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179947 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/42.	7024263.cif
92321	2014-01-12	cif/ Adding structures of 7024260, 7024261, 7024262, 7024263, 7024264 via cif-deposit CGI script.	7024263.cif