Crystallography Open Database

Information card for entry 1564137

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Coordinates	1564137.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H54 O36 P2 Pt18
Calculated formula	C84 H54 O36 P2 Pt18
SMILES	[Pt]123([Pt]4([Pt]1(C4=O)(C#[O])C3=O)(C2=O)C#[O])C#[O].[Pt]123(C#[O])[Pt]4(C3=O)(C#[O])[Pt]1(C4=O)(C#[O])C2=O.[Pt]123([Pt]4([Pt]1(C4=O)(C#[O])C2=O)(C#[O])C3=O)C#[O].[Pt]123([Pt]4([Pt]1(C4=O)(C#[O])C3=O)(C2=O)C#[O])C#[O].[Pt]123(C#[O])[Pt]4(C3=O)(C#[O])[Pt]1(C4=O)(C#[O])C2=O.[Pt]123([Pt]4([Pt]1(C4=O)(C#[O])C2=O)(C#[O])C3=O)C#[O].[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)CCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Further insights into platinum carbonyl Chini clusters
Authors of publication	Berti, Beatrice; Bortoluzzi, Marco; Ceriotti, Alessandro; Cesari, Cristiana; Femoni, Cristina; Carmela Iapalucci, Maria; Zacchini, Stefano
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	512
Pages of publication	119904
a	9.417 ± 0.003 Å
b	15.135 ± 0.005 Å
c	18.573 ± 0.006 Å
α	86.467 ± 0.003°
β	80.733 ± 0.004°
γ	75.85 ± 0.003°
Cell volume	2532.6 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1331
Residual factor for significantly intense reflections	0.063
Weighted residual factors for significantly intense reflections	0.1473
Weighted residual factors for all reflections included in the refinement	0.1727
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
267507 (current)	2021-07-13	cif/ Adding structures of 1564137 via cif-deposit CGI script.	1564137.cif