Crystallography Open Database

Information card for entry 7102544

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Coordinates	7102544.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H6 Mn N2 O4
Calculated formula	C12 H6 Mn N2 O4
Title of publication	Solvent templated synthesis of metal-organic frameworks: structural characterisation and properties of the 3D network isomers [[Mn(dcbp)].1/2DMF]n and [[Mn(dcbp)][middle dot]2H2O](n).
Authors of publication	Tynan, Eithne; Jensen, Paul; Kruger, Paul E; Lees, Anthea C
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2004
Journal issue	7
Pages of publication	776 - 777
a	12.1736 ± 0.001 Å
b	14.6323 ± 0.0012 Å
c	9.0078 ± 0.0008 Å
α	90°
β	131.21 ± 0.001°
γ	90°
Cell volume	1207.09 ± 0.18 Å³
Cell temperature	343 ± 2 K
Ambient diffraction temperature	343 ± 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	0.0438
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0852
Weighted residual factors for all reflections included in the refinement	0.0876
Goodness-of-fit parameter for all reflections included in the refinement	1.146
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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