Crystallography Open Database

Information card for entry 7235150

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Coordinates	7235150.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H13 Mn1.5 N3 O12
Calculated formula	C15 H13 Mn1.5 N3 O12
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	9.8696 ± 0.0006 Å
b	18.0782 ± 0.0012 Å
c	27.2802 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	4867.5 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.1844
Residual factor for significantly intense reflections	0.1388
Weighted residual factors for significantly intense reflections	0.4009
Weighted residual factors for all reflections included in the refinement	0.4281
Goodness-of-fit parameter for all reflections included in the refinement	1.585
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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