Crystallography Open Database

Information card for entry 7045931

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Coordinates	7045931.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H36 Cl8 Fe3 N6
Calculated formula	C24 H36 Cl8 Fe3 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	21.7383 ± 0.0015 Å
b	8.0208 ± 0.0005 Å
c	20.5678 ± 0.0014 Å
α	90°
β	112.832 ± 0.002°
γ	90°
Cell volume	3305.2 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
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	0.0393
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0606
Weighted residual factors for all reflections included in the refinement	0.0639
Goodness-of-fit parameter for all reflections included in the refinement	0.956
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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