Crystallography Open Database

Information card for entry 7045933

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Coordinates	7045933.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H36 B2 F8 Fe N6
Calculated formula	C24 H36 B2 F8 Fe N6
Title of publication	Spin crossover Fe(ii) complexes of a cross-bridged cyclam derivative.
Authors of publication	Drahoš, Bohuslav; Trávníček, Zdeněk
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	17
Pages of publication	6134 - 6145
a	11.072 ± 0.005 Å
b	11.983 ± 0.006 Å
c	21.198 ± 0.011 Å
α	90°
β	102.346 ± 0.017°
γ	90°
Cell volume	2747 ± 2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0567
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0734
Weighted residual factors for all reflections included in the refinement	0.0797
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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