Crystallography Open Database

Information card for entry 7234507

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Coordinates	7234507.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H16 Fe N14 O4
Calculated formula	C22 H16 Fe N14 O4
Title of publication	A charge neutral iron(ii) complex with an above room temperature spin crossover (SCO) and hysteresis loop
Authors of publication	Kuppusamy Senthil Kumar; Ivan Salitros; Benoit Heinrich; Olaf Fuhr; Mario Ruben
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	11635 - 11644
a	16.2431 ± 0.0008 Å
b	10.5762 ± 0.0003 Å
c	14.6113 ± 0.0008 Å
α	90°
β	101.796 ± 0.004°
γ	90°
Cell volume	2457.1 ± 0.2 Å³
Cell temperature	180.15 K
Ambient diffraction temperature	180.15 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	0.0415
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0672
Weighted residual factors for all reflections included in the refinement	0.0709
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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