Crystallography Open Database

Information card for entry 2200206

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Coordinates	2200206.cif
Original IUCr paper	HTML

Structure parameters

Common name	ferrocenediylphosphinoplatinum
Chemical name	[Ferrocene-1,1'-diylbis(diphenylphosphine-P)](3,4-toluenethio)platinum(II) dichloromethane solvate
Formula	C42 H36 Cl2 Fe P2 Pt S2
Calculated formula	C42 H36 Cl2 Fe P2 Pt S2
SMILES	[Pt]12(Sc3cc(ccc3S1)C)[P](c1ccccc1)(c1ccccc1)[c]13[Fe]([cH]14)([cH]31)([cH]13)([cH]34)([cH]13)([cH]14)([cH]31)([cH]13)[c]34[P]2(c1ccccc1)c1ccccc1.ClCCl
Title of publication	[Ferrocene-1,1'-diylbis(diphenylphosphine-<i>P</i>)](toluene-3,4-dithiolato)platinum(II) dichloromethane solvate
Authors of publication	Bacsa, John; Darkwa, James; Maisela, Letladi L.
Journal of publication	Acta Crystallographica Section E
Year of publication	2001
Journal volume	57
Journal issue	3
Pages of publication	m109 - m110
a	14.539 ± 0.001 Å
b	14.55 ± 0.001 Å
c	17.85 ± 0.001 Å
α	90°
β	94.55 ± 0.001°
γ	90°
Cell volume	3764.1 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0873
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for all reflections included in the refinement	0.1106
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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