Crystallography Open Database

Information card for entry 4304710

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Coordinates	4304710.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H30 Fe N4
Calculated formula	C26 H30 Fe N4
Title of publication	Bis(α-diimine)iron Complexes: Electronic Structure Determination by Spectroscopy and Broken Symmetry Density Functional Theoretical Calculations
Authors of publication	Nicoleta Muresan; Connie C. Lu; Meenakshi Ghosh; Jonas C. Peters; Megumi Abe; Lawrence M. Henling; Thomas Weyhermöller; Eckhard Bill; Karl Wieghardt
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	4579 - 4590
a	17.8934 ± 0.0014 Å
b	14.2722 ± 0.0011 Å
c	17.874 ± 0.0014 Å
α	90°
β	91.372 ± 0.001°
γ	90°
Cell volume	4563.3 ± 0.6 Å³
Cell temperature	98 K
Ambient diffraction temperature	98 K
Number of distinct elements	4
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	0.0473
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.0689
Weighted residual factors for all reflections included in the refinement	0.07
Goodness-of-fit parameter for all reflections included in the refinement	2.259
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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