Crystallography Open Database

Information card for entry 7106601

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Coordinates	7106601.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H5 Mn N3 O4
Calculated formula	C10 H5 Mn N3 O4
Title of publication	Template induced structural isomerism and enhancement of porosity in manganese(II) based metal-organic frameworks (Mn-MOFs)
Authors of publication	Tamas Panda; Pradip Pachfule; Rahul Banerjee
Journal of publication	Chem.Commun.
Year of publication	2011
Journal volume	47
Pages of publication	7674
a	11.214 ± 0.011 Å
b	12.585 ± 0.013 Å
c	14.447 ± 0.015 Å
α	90°
β	110.125 ± 0.015°
γ	90°
Cell volume	1914 ± 3 Å³
Cell temperature	190 ± 2 K
Ambient diffraction temperature	190 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0778
Residual factor for significantly intense reflections	0.0642
Weighted residual factors for significantly intense reflections	0.1599
Weighted residual factors for all reflections included in the refinement	0.1669
Goodness-of-fit parameter for all reflections included in the refinement	0.997
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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