Crystallography Open Database

Information card for entry 7235151

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Coordinates	7235151.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H7 Mn1.5 N2 O11
Calculated formula	C18 H7 Mn1.5 N2 O11
Title of publication	The effect of substituted benzene dicarboxylic acid linkers on the optical band gap energy and magnetic coupling in manganese trimer metal organic frameworks
Authors of publication	K. S. Asha; Arthur C. Reber; N. Ahmed; R. Nath; Shiv N. Khanna; Sukhendu Mandal
Journal of publication	Journal of Materials Chemistry C
Year of publication	2017
Journal volume	5
Pages of publication	539 - 548
a	15.534 ± 0.0003 Å
b	9.9019 ± 0.0002 Å
c	16.3563 ± 0.0003 Å
α	90°
β	111.126 ± 0.001°
γ	90°
Cell volume	2346.77 ± 0.08 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.1249
Residual factor for significantly intense reflections	0.0868
Weighted residual factors for significantly intense reflections	0.2645
Weighted residual factors for all reflections included in the refinement	0.3037
Goodness-of-fit parameter for all reflections included in the refinement	1.148
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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