Crystallography Open Database

Information card for entry 7223399

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Coordinates	7223399.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Magnesiumcarboxylate
Formula	C18 H18 Mg2 N2 O10 S2
Calculated formula	C18 H18 Mg2 N2 O10 S2
Title of publication	The structural diversity, band gap energy and photoluminescence properties of thiophenedicarboxylate based coordination polymers
Authors of publication	M., Prabu; Asha, K. S.; Sinha, Mekhola; Poduval, Anamika; Mandal, Sukhendu
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	4
Pages of publication	536
a	10.0483 ± 0.0002 Å
b	13.4969 ± 0.0003 Å
c	16.7346 ± 0.0004 Å
α	90°
β	93.683 ± 0.001°
γ	90°
Cell volume	2264.87 ± 0.09 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0803
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1339
Weighted residual factors for all reflections included in the refinement	0.1471
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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