Information card for entry 2017842

Structure parameters

• Chemical name: Hexakis(prop-2-enamide)manganese(II) bis(perchlorate)
• Formula: C18 H30 Cl2 Mn N6 O14
• Calculated formula: C18 H30 Cl2 Mn N6 O14
• SMILES: NC(C=C)=[O][Mn]([O]=C(C=C)N)([O]=C(C=C)N)([O]=C(C=C)N)([O]=C(C=C)N)[O]=C(C=C)N.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Hexakis(prop-2-enamide)copper(II) bis(perchlorate) and hexakis(prop-2-enamide)manganese(II) bis(perchlorate)
• Authors of publication: Kellett, Andrew; Rosair, Georgina; Devereux, Michael; McNamara, Mary; McCann, Malachy
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m358 - m362
• a: 9.2804 ± 0.0006 Å
• b: 15.9533 ± 0.001 Å
• c: 10.6876 ± 0.0007 Å
• α: 90°
• β: 111.642 ± 0.003°
• γ: 90°
• Cell volume: 1470.79 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0481
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes