Crystallography Open Database

Information card for entry 4311299

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Coordinates	4311299.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22.5 B0.5 F2 Fe N10
Calculated formula	C18 H22.5 B0.5 F1.5 Fe N10
Title of publication	Supramolecular Spin-Crossover Iron Complexes Based on Imidazole-Imidazolate Hydrogen Bonds
Authors of publication	Yukinari Sunatsuki; Hiromi Ohta; Masaaki Kojima; Yuichi Ikuta; Yoshiyuki Goto; Naohide Matsumoto; Seiichiro Iijima; Haruo Akashi; Sumio Kaizaki; Françoise Dahan; Jean-Pierre Tuchagues
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	4154 - 4171
a	11.855 ± 0.004 Å
b	11.855 ± 0.004 Å
c	9.479 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	1153.7 ± 0.8 Å³
Cell temperature	93.1 K
Number of distinct elements	6
Space group number	150
Hermann-Mauguin space group symbol	P 3 2 1
Hall space group symbol	P 3 2"
Residual factor for significantly intense reflections	0.051
Weighted residual factors for all reflections included in the refinement	0.129
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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