Information card for entry 7004884

Structure parameters

• Formula: C12 H8 Mn N10
• Calculated formula: C12 H8 Mn N10
• Title of publication: Mn(dca)2(pym)2 and Mn(dca)2(pym)(H2O) {dca = dicyanamide; pym = pyrimidine}: New coordination polymers exhibiting 1- and 2-D topologies.
• Authors of publication: Manson, Jamie L.; Schlueter, John A.; Nygren, Cara L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 6
• Pages of publication: 646 - 652
• a: 13.6213 ± 0.0016 Å
• b: 7.5799 ± 0.0009 Å
• c: 14.7671 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1524.7 ± 0.3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• 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: 0.2042
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.1759
• Weighted residual factors for all reflections included in the refinement: 0.2239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No