Crystallography Open Database

Information card for entry 7107567

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Coordinates	7107567.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H7 Fe N12
Calculated formula	C12 H7 Fe N12
Title of publication	High-spin versus spin-crossover versus low-spin: symmetry intervention in cooperativity in a 3D polymorphic iron(II)-tetrazole system
Authors of publication	Zheng Yan; Mian Li; Hui-Ling Gao; Xiao-Chun Huang; Dan Li
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	3960
a	7.8304 ± 0.0016 Å
b	26.31 ± 0.005 Å
c	30.543 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	6292 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.0372
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0917
Weighted residual factors for all reflections included in the refinement	0.094
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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