Crystallography Open Database

Information card for entry 1564138

Preview

Coordinates	1564138.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H42 O30 P2 Pt15
Calculated formula	C72 H42 O30 P2 Pt15
SMILES	C(#[O])[Pt]1234C(=O)[Pt]562(C#[O])C(=O)[Pt]35(C#[O])(C1=O)[Pt]1235(C#[O])C(=O)[Pt]7862(C#[O])C(=O)[Pt]437(C#[O])(C1=O)[Pt]1234(C(=O)[Pt]6754([Pt]82(C1=O)(C#[O])(C6=O)[Pt]1245(C(=O)[Pt]6834(C#[O])C(=O)[Pt]758(C1=O)(C#[O])[Pt]134(C#[O])C(=O)[Pt]523(C#[O])C(=O)[Pt]645(C#[O])C1=O)C#[O])C#[O])C#[O].[P+](CCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(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	16.19 ± 0.002 Å
b	25.344 ± 0.004 Å
c	20.94 ± 0.004 Å
α	90°
β	103.531 ± 0.003°
γ	90°
Cell volume	8354 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1527
Residual factor for significantly intense reflections	0.0962
Weighted residual factors for significantly intense reflections	0.2495
Weighted residual factors for all reflections included in the refinement	0.293
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
267508 (current)	2021-07-13	cif/ Adding structures of 1564138 via cif-deposit CGI script.	1564138.cif