Crystallography Open Database

Information card for entry 7250956

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Coordinates	7250956.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H9 K3 O12 S2
Calculated formula	C12 H9 K3 O12 S2
Title of publication	Coordinated water modulation for proton conductivity via post-synthetic transmetalation in yttrium-based coordination polymers
Authors of publication	Lee, Byoung Gwan; Kim, Dongwook; Bae, Jin Young; Jeong, Ji Woo; Lim, Dae-Woon
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	36
Pages of publication	5952 - 5958
a	20.6899 ± 0.0013 Å
b	7.2134 ± 0.0004 Å
c	11.8766 ± 0.0006 Å
α	90°
β	93.194 ± 0.002°
γ	90°
Cell volume	1769.76 ± 0.17 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0326
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0681
Weighted residual factors for all reflections included in the refinement	0.0705
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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