Crystallography Open Database

Information card for entry 7251963

7251962 << 7251963 >> 7251964

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Coordinates	7251963.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H21 Fe N2 O5 S
Calculated formula	C19 H21 Fe N2 O5 S
Title of publication	Metal-ion-dependent polarity switching and dielectric enhancement in solvent-vapour-responsive mononuclear complexes
Authors of publication	Kobayashi, Fumiya; Iwase, Hiroki; Hoshino, Shoma; Tadokoro, Makoto
Journal of publication	CrystEngComm
Year of publication	2026
a	15.3544 ± 0.0005 Å
b	17.1176 ± 0.0005 Å
c	7.9303 ± 0.0002 Å
α	90°
β	106.96 ± 0.001°
γ	90°
Cell volume	1993.67 ± 0.1 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90.15 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	0.0293
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0723
Weighted residual factors for all reflections included in the refinement	0.0726
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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