Crystallography Open Database

Information card for entry 7127058

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Coordinates	7127058.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 Fe N O5 S
Calculated formula	C20 H22 Fe N O5 S
Title of publication	Solvent vapor-induced polarity and ferroelectricity switching.
Authors of publication	Kobayashi, Fumiya; Akiyoshi, Ryohei; Kosumi, Daisuke; Nakamura, Masaaki; Lindoy, Leonard F.; Hayami, Shinya
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	72
Pages of publication	10509 - 10512
a	18.1583 ± 0.001 Å
b	17.6762 ± 0.0005 Å
c	8.0886 ± 0.0005 Å
α	90°
β	128.002 ± 0.009°
γ	90°
Cell volume	2045.8 ± 0.3 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0256
Residual factor for significantly intense reflections	0.0235
Weighted residual factors for significantly intense reflections	0.062
Weighted residual factors for all reflections included in the refinement	0.063
Goodness-of-fit parameter for all reflections included in the refinement	1.0335
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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