Crystallography Open Database

Information card for entry 7106600

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Coordinates	7106600.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	?Mn-5TIA-2
Formula	C43.7 H10 Mn2 N6 O8
Calculated formula	C43.7 H10 Mn2 N6 O8
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	12.2862 ± 0.0004 Å
b	14.9471 ± 0.0004 Å
c	20.8959 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3837.39 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1098
Residual factor for significantly intense reflections	0.0862
Weighted residual factors for significantly intense reflections	0.2761
Weighted residual factors for all reflections included in the refinement	0.2872
Goodness-of-fit parameter for all reflections included in the refinement	1.147
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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