Crystallography Open Database

Information card for entry 7000703

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Coordinates	7000703.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H31 Fe2 N O4 P2 S2
Calculated formula	C28 H31 Fe2 N O4 P2 S2
Title of publication	Structures, protonation, and electrochemical properties of diiron dithiolate complexes containing pyridyl-phosphine ligands
Authors of publication	Li, Ping; Wang, Mei; Chen, Lin; Liu, Jihong; Zhao, Zhenbo; Sun, Licheng
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	11
Pages of publication	1919 - 1926
a	9.652 ± 0.0002 Å
b	14.0097 ± 0.0003 Å
c	11.7256 ± 0.0003 Å
α	90°
β	103.012 ± 0.001°
γ	90°
Cell volume	1544.84 ± 0.06 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0344
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0691
Weighted residual factors for all reflections included in the refinement	0.0717
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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