Crystallography Open Database

Information card for entry 4311302

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Coordinates	4311302.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H45 B2 F8 Fe2 N20
Calculated formula	C36 H45 B1.99 F7.96 Fe2 N20
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	11.9346 ± 0.0009 Å
b	11.9346 ± 0.0009 Å
c	9.4354 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	1163.88 ± 0.14 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	6
Space group number	143
Hermann-Mauguin space group symbol	P 3
Hall space group symbol	P 3
Residual factor for all reflections	0.0421
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.108
Weighted residual factors for all reflections included in the refinement	0.1089
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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