Crystallography Open Database

Information card for entry 4334652

Preview

Coordinates	4334652.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H80 Ag2 Cl6 O12 P6 Pt
Calculated formula	C84 H76 Ag2 Cl6 O12 P6 Pt
SMILES	c1(ccccc1)[P]1(c2ccccc2)[Ag]2[P](c3ccccc3)(c3ccccc3)C[P]3([Pt]42(C#Cc2ccc(OC)cc2)([P](C1)(C[P]([Ag]4[P](C3)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)C#Cc1ccc(OC)cc1)c1ccccc1.[O-]Cl(=O)(=O)=O.O.C(Cl)Cl.[O-]Cl(=O)(=O)=O.O.C(Cl)Cl
Title of publication	Spectroscopic and Phosphorescent Modulation in Triphosphine-Supported PtAg2 Heterotrinuclear Alkynyl Complexes
Authors of publication	Li-Yi Zhang; Liang-Jin Xu; Xu Zhang; Jin-Yun Wang; Jia Li; Zhong-Ning Chen
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	5167 - 5175
a	12.257 ± 0.005 Å
b	19.503 ± 0.009 Å
c	19.168 ± 0.009 Å
α	90°
β	95.843 ± 0.013°
γ	90°
Cell volume	4558 ± 4 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0645
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1576
Weighted residual factors for all reflections included in the refinement	0.1866
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
179449 (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 4/33/46.	4334652.cif
100522	2014-02-06	cif/ Adding structures of 4334652 via cif-deposit CGI script.	4334652.cif