Crystallography Open Database

Information card for entry 4081829

Preview

Coordinates	4081829.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30.5 H17 Cl Fe2 O8 P2
Calculated formula	C30.503 H17.006 Cl1.006 Fe2 O8 P2
Title of publication	Formation of a Hexacarbonyl Diiron Complex Having a Naphthalene-1,8-bis(phenylphosphido) Bridge and the Electrochemical Behavior of Its Derivatives
Authors of publication	Teramoto, Yuichi; Kubo, Kazuyuki; Kume, Shoko; Mizuta, Tsutomu
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	23
Pages of publication	7014
a	23.019 ± 0.003 Å
b	17.875 ± 0.002 Å
c	17.0427 ± 0.0019 Å
α	90°
β	118.094 ± 0.001°
γ	90°
Cell volume	6186.2 ± 1.3 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0486
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0862
Weighted residual factors for all reflections included in the refinement	0.0929
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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