Crystallography Open Database

Information card for entry 4333864

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Coordinates	4333864.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H45 Au3 O24 P3 Pt19
Calculated formula	C78 H45 Au3 O24 P3 Pt19
SMILES	C(#[O])[Pt]1234567[Au]89([P](c%10ccccc%10)(c%10ccccc%10)c%10ccccc%10)[Pt]%10%11%12%13%142(C#[O])[Pt]2%15%16%17%18%19%20%21%223[Pt]3%23%24%25%264(C#[O])[Au]41([P](c1ccccc1)(c1ccccc1)c1ccccc1)[Pt]1%27%287%13%18(C#[O])[Au]7%12([P](c%12ccccc%12)(c%12ccccc%12)c%12ccccc%12)[Pt]%12%13%18%29%20%27(C#[O])[Pt]%20%19%2641([Pt]14%19%26%27%16%24(C#[O])[Pt]%16%24%30%25(C#[O])[Pt]%255823(C#[O])([C]6%23=O)[Pt]2359%11%15(C#[O])[C]%10(=O)[Pt]6%14%217%135([Pt]5782(C(=O)[Pt]29%107([Pt]7%171%24%2535(C#[O])[Pt]4%302(C%16=O)(C#[O])[Pt]12%27%10(C#[O])C(=O)[Pt]%18%20%191(C#[O])[Pt]%22%29%2668972C#[O])C#[O])C#[O])C#[O])(C#[O])[C]%28%12=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	15.5619 ± 0.0016 Å
b	21.25 ± 0.002 Å
c	18.164 ± 0.002 Å
α	90 ± 0.003°
β	91.633 ± 0.003°
γ	90 ± 0.003°
Cell volume	6004.2 ± 1.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.1619
Residual factor for significantly intense reflections	0.0783
Weighted residual factors for significantly intense reflections	0.223
Weighted residual factors for all reflections included in the refinement	0.2389
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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.	4333864.cif
99672	2014-02-03	cif/ Adding structures of 4333864 via cif-deposit CGI script.	4333864.cif