Crystallography Open Database

Information card for entry 4102139

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Coordinates	4102139.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H15 Mn N2 O6
Calculated formula	C16 H15 Mn N2 O6
Title of publication	MnII-based MIL-53 Analogues: Synthesis Using Neutral Bridging μ2-Ligands and Application in Liquid-Phase Adsorption and Separation of C6-C8 Aromatics
Authors of publication	Guohai Xu; Xiaoguang Zhang; Peng Guo; Chengling Pan; Hongjie Zhang; Cheng Wang
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	3656 - 3657
a	18.2088 ± 0.0011 Å
b	17.7065 ± 0.0011 Å
c	13.3781 ± 0.0008 Å
α	90°
β	128.438 ± 0.001°
γ	90°
Cell volume	3378.5 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0602
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1377
Weighted residual factors for all reflections included in the refinement	0.1465
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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