Information card for entry 7006257

Structure parameters

• Formula: C5 H3 Mn N5 O2.25
• Calculated formula: C5 H3 Mn N5 O2.25
• Title of publication: Dual role of azide in the formation of a 3D coordination polymer containing bridging 5-pyrimidinecarboxylate.
• Authors of publication: Sengupta, Oindrila; Chakrabarty, Rajesh; Mukherjee, Partha Sarathi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 40
• Pages of publication: 4514 - 4516
• a: 10.4583 ± 0.0003 Å
• b: 10.4583 ± 0.0003 Å
• c: 13.6296 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1490.75 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 137
• Hermann-Mauguin space group symbol: P 42/n m c :2
• Hall space group symbol: -P 4ac 2a
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No