Crystallography Open Database

Information card for entry 4075502

Preview

Coordinates	4075502.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Fec-CH2-Me-imidazole-ZnCl2)n
Formula	C20 H22 Cl2 Fe N4 Zn
Calculated formula	C20 H22 Cl2 Fe N4 Zn
Title of publication	Supramolecular Networks Using Ferrocenyl Ditriazole and Diimidazole Bridges
Authors of publication	Gao, Ye; Twamley, Brendan; Shreeve, Jean'ne M.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	14
Pages of publication	3364
a	14.902 ± 0.001 Å
b	11.6328 ± 0.0008 Å
c	13.34 ± 0.001 Å
α	90°
β	117.339 ± 0.001°
γ	90°
Cell volume	2054.2 ± 0.3 Å³
Cell temperature	86 ± 2 K
Ambient diffraction temperature	86 ± 2 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	0.0508
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.078
Weighted residual factors for all reflections included in the refinement	0.0828
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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