Crystallography Open Database

Information card for entry 4330985

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Coordinates	4330985.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H41 Cl2 F4 Fe N6 Pt S6
Calculated formula	C48 H41 Cl2 F4 Fe N6 Pt S6
Title of publication	Ferrocene-Dithiolene Hybrids: Control of Strong Donor-Acceptor Electronic Communication to Reverse the Charge Transfer Direction
Authors of publication	Tetsuro Kusamoto; Kenji Takada; Ryota Sakamoto; Shoko Kume; Hiroshi Nishihara
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	12102 - 12113
a	11.3197 ± 0.0058 Å
b	12.2959 ± 0.0062 Å
c	19.7367 ± 0.0097 Å
α	95.2515 ± 0.0095°
β	97.4816 ± 0.0104°
γ	94.9376 ± 0.0079°
Cell volume	2699 ± 2 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.083
Weighted residual factors for all reflections included in the refinement	0.2088
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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