Crystallography Open Database

Information card for entry 7251962

7251961 << 7251962 >> 7251963

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Coordinates	7251962.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H21 Mn N2 O5 S
Calculated formula	C19 H21 Mn 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	8.835 ± 0.0003 Å
b	10.5064 ± 0.0003 Å
c	10.7201 ± 0.0004 Å
α	90.937 ± 0.001°
β	102.416 ± 0.001°
γ	91.609 ± 0.001°
Cell volume	971.17 ± 0.06 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0337
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0752
Weighted residual factors for all reflections included in the refinement	0.0761
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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