Information card for entry 2011033

Structure parameters

• Formula: C28 H16 Mn N10
• Calculated formula: C28 H16 Mn N10
• SMILES: [Mn]12([n]3cccc4ccc5ccc[n]1c5c34)([n]1cccc3ccc4ccc[n]2c4c13)(N=C=NC#N)N=C=NC#N
• Title of publication: <i>cis</i>-Bis(dicyanamido)bis(1,10-phenanthroline)manganese(II) and <i>cis</i>-bis(dicyanamido)bis(1,10-phenanthroline)zinc(II)
• Authors of publication: Wang, Zhe-Ming; Luo Jun; Sun Bai-Wang; Yan Chun-Hua; Liao Chun-Sheng; Gao Song
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 6
• Pages of publication: e242 - e244
• a: 9.7989 ± 0.0002 Å
• b: 15.016 ± 0.0005 Å
• c: 17.7189 ± 0.0005 Å
• α: 90°
• β: 104.595 ± 0.0016°
• γ: 90°
• Cell volume: 2523.04 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.088
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes