Crystallography Open Database

Information card for entry 1564140

Preview

Coordinates	1564140.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H76 Cl4 O2 P6 Pt2
Calculated formula	C82 H76 Cl4 O2 P6 Pt2
SMILES	C(#[O])[Pt]1([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](CC[P]([Pt]1(C#[O])[P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl.ClCCl
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	15.2489 ± 0.0018 Å
b	12.6172 ± 0.0015 Å
c	20.066 ± 0.003 Å
α	90°
β	102.271 ± 0.004°
γ	90°
Cell volume	3772.5 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0643
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1189
Weighted residual factors for all reflections included in the refinement	0.123
Goodness-of-fit parameter for all reflections included in the refinement	1.166
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
267510 (current)	2021-07-13	cif/ Adding structures of 1564140 via cif-deposit CGI script.	1564140.cif