Crystallography Open Database

Information card for entry 4308156

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Coordinates	4308156.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H114 Au2 P2 Pd S4
Calculated formula	C80 H114 Au2 P2 Pd S4
SMILES	c1c(ccc2c3ccc(cc3C(=C3S[Pd]4([S]3[Au][P](C3CCCCC3)(C3CCCCC3)C3CCCCC3)SC(=C3c5cc(ccc5c5ccc(cc35)C(C)(C)C)C(C)(C)C)[S]4[Au][P](C3CCCCC3)(C3CCCCC3)C3CCCCC3)c12)C(C)(C)C)C(C)(C)C
Title of publication	Synthesis, Structure, and Luminescence of Di- and Trinuclear Palladium/Gold and Platinum/Gold Complexes with (2,7-Di-tert-butylfluoren-9-ylidene)methanedithiolate,1
Authors of publication	José Vicente; Pablo González-Herrero; María Pérez-Cadenas; Peter G. Jones; Delia Bautista
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	4718 - 4732
a	9.5339 ± 0.0004 Å
b	15.1567 ± 0.0007 Å
c	26.6961 ± 0.0012 Å
α	90°
β	92.012 ± 0.002°
γ	90°
Cell volume	3855.3 ± 0.3 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	0.0267
Residual factor for significantly intense reflections	0.0227
Weighted residual factors for significantly intense reflections	0.0503
Weighted residual factors for all reflections included in the refinement	0.0518
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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