Crystallography Open Database

Information card for entry 4333865

Preview

Coordinates	4333865.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H60 Au4 N0 O24 P4 Pt19
Calculated formula	C96 H60 Au4 O24 P4 Pt19
SMILES	C1(=O)[Pt]2345(C#[O])[Pt]6789%10%11%12(C#[O])[Pt]%13%14%15%16%17%18%19%20%21%22[Pt]%23%24%25%26%27%286(C#[O])[Pt]6%29%30%3127%13(C#[O])[Pt]27%13%32%33%14(C#[O])[Pt]%14%34%353%156([C]3(=O)[Pt]6%15%36%37%16%14(C#[O])[Pt]%14%16%38%192(C(=O)[Pt]2%22%247%16(C#[O])[Pt]7%16%19%18%23(C(=O)[Pt]%18%22%21%15%14%16(C#[O])[Pt]%14%158%177(C#[O])([Pt]49%20%3436(C#[O])[Au]%37%22%15([P](c3ccccc3)(c3ccccc3)c3ccccc3)[Au]%18%14[P](c3ccccc3)(c3ccccc3)c3ccccc3)[Pt]3%10%25%19(C(=O)[Pt]4%11%263(C#[O])[Pt]3%28%30(C(=O)[Pt]%27%29%1323C#[O])(C#[O])[Pt]15%12%314C#[O])C#[O])C#[O])(C#[O])[Au]%32([P](c1ccccc1)(c1ccccc1)c1ccccc1)[Au]%33%35%36%38[P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O]
Title of publication	Cooperative Effects of Electron Donors and Acceptors for the Stabilization of Elusive Metal Cluster Frameworks: Synthesis and Solid-State Structures of [Pt19(CO)24(μ4-AuPPh3)3]- and [Pt19(CO)24{μ4-Au2(PPh3)2}2]
Authors of publication	Alessandro Ceriotti; Piero Macchi; Annalisa Sironi; Simona El Afefey; Matteo Daghetta; Serena Fedi; Fabrizia Fabrizi de Biani; Roberto Della Pergola
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	1960 - 1964
a	16.5865 ± 0.0006 Å
b	29.9739 ± 0.001 Å
c	25.4375 ± 0.0009 Å
α	90 ± 0.001°
β	98.604 ± 0.001°
γ	90 ± 0.001°
Cell volume	12504.2 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.1081
Residual factor for significantly intense reflections	0.0731
Weighted residual factors for significantly intense reflections	0.1896
Weighted residual factors for all reflections included in the refinement	0.2052
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179441 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/38.	4333865.cif
99673	2014-02-03	cif/ Adding structures of 4333865 via cif-deposit CGI script.	4333865.cif