Crystallography Open Database

Information card for entry 7235146

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Coordinates	7235146.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H45 Mn3 N4 O16
Calculated formula	C40 H45 Mn3 N4 O16
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	9.8767 ± 0.0005 Å
b	14.7211 ± 0.0008 Å
c	16.9215 ± 0.0009 Å
α	69.762 ± 0.002°
β	86.925 ± 0.002°
γ	84.366 ± 0.002°
Cell volume	2296.8 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0658
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.145
Weighted residual factors for all reflections included in the refinement	0.1741
Goodness-of-fit parameter for all reflections included in the refinement	0.875
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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