Crystallography Open Database

Information card for entry 4307966

Preview

Coordinates	4307966.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80.5 H93 Cl Fe2 N O8 S8
Calculated formula	C80.5 H93 Cl Fe2 N O8 S8
Title of publication	Reversible, Electrochemically Controlled Binding of Phosphine to Iron and Cobalt Bis(dithiolene) Complexes
Authors of publication	Rongmin Yu; Kuppuswamy Arumugam; Ashok Manepalli; Yvon Tran; Russell Schmehl; Heiko Jacobsen; James P. Donahue
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	5131 - 5133
a	30.9619 ± 0.0018 Å
b	11.4244 ± 0.0007 Å
c	23.0118 ± 0.0014 Å
α	90°
β	108.746 ± 0.001°
γ	90°
Cell volume	7708 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.053
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.0972
Weighted residual factors for all reflections included in the refinement	0.1039
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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