Crystallography Open Database

Information card for entry 7215607

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Coordinates	7215607.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H13 Mn N2 O5 S3
Calculated formula	C18 H13 Mn N2 O5 S3
Title of publication	Influence of co-ligands and solvents on the packing and photoluminescence of three related MnII metal‒organic frameworks
Authors of publication	Wang, Sujing; Xiong, Shunshun; Song, Lexin; Wang, Zhiyong
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	5
Pages of publication	896 - 901
a	20.1491 ± 0.0003 Å
b	7.6548 ± 0.0001 Å
c	25.6413 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3954.85 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0365
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0852
Weighted residual factors for all reflections included in the refinement	0.0869
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Duplicate of	7200540
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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