Crystallography Open Database

Information card for entry 7113393

Preview

Coordinates	7113393.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H104 Au N O P6 Pt2
Calculated formula	C90 H102 Au N O P6 Pt2
SMILES	[Au]1C#Cc2c(C#C[Pt]([P](C)(C)C)([P](C)(C)C)C#Cc3c(C#C[Pt]([P](C)(C)C)([P](C)(C)C)C#Cc4c(C#C1)c(c(c(c4C)C)C)C)c(c(c(c3C)C)C)C)c(c(c(c2C)C)C)C.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O
Title of publication	Synthesis and X-ray crystal structure of an anionic heteronuclear metallamacrocyclic triangle.
Authors of publication	Vicente, José; Chicote, María-Teresa; Alvarez-Falcón, Miguel M; Jones, Peter G.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2004
Journal issue	23
Pages of publication	2658 - 2659
a	13.444 ± 0.002 Å
b	18.759 ± 0.003 Å
c	18.827 ± 0.003 Å
α	118.064 ± 0.006°
β	92.078 ± 0.006°
γ	91.734 ± 0.006°
Cell volume	4181 ± 1.2 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0868
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.0911
Weighted residual factors for all reflections included in the refinement	0.1094
Goodness-of-fit parameter for all reflections included in the refinement	0.956
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
180247 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/33.	7113393.cif
114622	2014-05-28	cif/ Adding structures of 7113393 via cif-deposit CGI script.	7113393.cif