Crystallography Open Database

Information card for entry 7237017

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Coordinates	7237017.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 Br2 Fe N10
Calculated formula	C18 H16 Br2 Fe N10
Title of publication	Multiple spin phases in a switchable Fe(ii) complex: polymorphism and symmetry breaking effects
Authors of publication	Hang, Hao; Fei, Bin; Chen, Xiu Qin; Tong, Ming Liang; Ksenofontov, Vadim; Gural'skiy, Il’ya A.; Bao, Xin
Journal of publication	Journal of Materials Chemistry C
Year of publication	2018
Journal volume	6
Journal issue	13
Pages of publication	3352
a	8.707 ± 0.003 Å
b	14.128 ± 0.004 Å
c	16.875 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	2075.8 ± 1.1 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P c a n
Hall space group symbol	-P 2n 2c
Residual factor for all reflections	0.0849
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.0994
Weighted residual factors for all reflections included in the refinement	0.1163
Goodness-of-fit parameter for all reflections included in the refinement	1.106
Diffraction radiation wavelength	0.71076 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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