Crystallography Open Database

Information card for entry 4102145

Preview

Coordinates	4102145.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H13 Cl Mn N O5
Calculated formula	C19 H13 Cl Mn N O5
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	19.229 ± 0.005 Å
b	16.683 ± 0.005 Å
c	14.391 ± 0.005 Å
α	90 ± 0.005°
β	130.181 ± 0.005°
γ	90 ± 0.005°
Cell volume	3527.1 ± 1.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.1512
Residual factor for significantly intense reflections	0.0731
Weighted residual factors for significantly intense reflections	0.1694
Weighted residual factors for all reflections included in the refinement	0.2237
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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