Crystallography Open Database

Information card for entry 7234526

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Coordinates	7234526.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H20 Cl5 Fe N2 O3
Calculated formula	C6 H20 Cl5 Fe N2 O3
Title of publication	An organic-inorganic hybrid co-crystal complex as a high-performance solid-state nonlinear optical switch
Authors of publication	Tianliang Chen; Zhihua Sun; Sangen Zhao; Chengmin Ji; Junhua Luo
Journal of publication	Journal of Materials Chemistry C
Year of publication	2016
Journal volume	4
Pages of publication	266 - 271
a	6.9337 ± 0.0002 Å
b	12.7285 ± 0.0004 Å
c	16.9517 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1496.08 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0354
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.064
Weighted residual factors for all reflections included in the refinement	0.068
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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