Crystallography Open Database

Information card for entry 7231728

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Coordinates	7231728.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H8 Ca O4 S
Calculated formula	C12 H8 Ca O4 S
Title of publication	Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol
Authors of publication	Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	46
Pages of publication	7513
a	12.4476 ± 0.0009 Å
b	13.9099 ± 0.0008 Å
c	7.1 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1229.33 ± 0.14 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0544
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1593
Weighted residual factors for all reflections included in the refinement	0.1659
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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