Crystallography Open Database

Information card for entry 7240901

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Coordinates	7240901.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H21 Cl0.5 Cs0.5 O5
Calculated formula	C13 H21 Cl0.5 Cs0.5 O5
Title of publication	Alkali metal complexes of bis-o-xylyl-(17-crown-5): from dinuclear monomer and dinuclear polymer to sandwich polymer
Authors of publication	Kim, Seulgi; Park, In-Hyeok; Lee, Shim Sung; Sim, Wonbo; Lee, Jai Young
Journal of publication	CrystEngComm
Year of publication	2020
a	9.6204 ± 0.0004 Å
b	23.8722 ± 0.0011 Å
c	9.3051 ± 0.0004 Å
α	90°
β	117.294 ± 0.002°
γ	90°
Cell volume	1899.09 ± 0.15 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0877
Residual factor for significantly intense reflections	0.0725
Weighted residual factors for significantly intense reflections	0.2103
Weighted residual factors for all reflections included in the refinement	0.2211
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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