Crystallography Open Database

Information card for entry 4315926

Preview

Coordinates	4315926.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H46 N6 O28 Pt12 Ru
Calculated formula	C66 H46 N6 O28 Pt12 Ru
SMILES	[Pt]123(C#[O])[Pt]4(C3=O)(C#[O])[Pt]1(C4=O)(C#[O])(C2=O).[Pt]123(C#[O])[Pt]4(C3=O)(C#[O])[Pt]1(C4=O)(C#[O])(C2=O).[Pt]123(C#[O])[Pt]4(C3=O)(C#[O])[Pt]1(C4=O)(C#[O])(C2=O).[Pt]123(C#[O])[Pt]4(C3=O)(C#[O])[Pt]1(C4=O)(C#[O])(C2=O).[Ru]1234([n]5ccccc5c5[n]1c(ccc5)c1[n]2cccc1)[n]1ccccc1c1[n]3c(ccc1)c1[n]4cccc1.O=C(C)C.O=C(C)C.O=C(C)C.O=C(C)C
Title of publication	Self-Assembly of [Pt3n(CO)6n]2- (n= 4-8) Carbonyl Clusters: from Molecules to Conducting Molecular Metal Wires
Authors of publication	Cristina Femoni; Maria Carmela Iapalucci; Giuliano Longoni; Tatiana Lovato; Stefano Stagni; Stefano Zacchini
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	5992 - 6004
a	15.3425 ± 0.0017 Å
b	19.052 ± 0.002 Å
c	28.302 ± 0.003 Å
α	90°
β	92.898 ± 0.002°
γ	90°
Cell volume	8262.2 ± 1.5 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	6
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	0.1151
Residual factor for significantly intense reflections	0.0711
Weighted residual factors for significantly intense reflections	0.2134
Weighted residual factors for all reflections included in the refinement	0.2616
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
179239 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/59.	4315926.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4315926.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4315926.cif
9093	2011-02-09	../uploads/cif-deposit/cod/cif Adding structures of 4315926 via cif-deposit CGI script.	4315926.cif