Information card for entry 7013039

Structure parameters

• Formula: C26 H30 Mn N2
• Calculated formula: C26 H30 Mn N2
• SMILES: [Mn]12345([NH](CC[NH]1Cc1ccccc1)Cc1ccccc1)(C1C=CC=C1)[cH]1[cH]5[cH]4[cH]3[cH]21
• Title of publication: Applications of manganocene in the synthesis of Mn(II) amide and imide cages
• Authors of publication: Carmen Soria Alvarez; Alan Bashall; Andrew D. Bond; Dale Cave; Eilís A. Harron; Richard A. Layfield; Marta E. G. Mosquera; Mary McPartlin; Jeremy M. Rawson; Paul T. Wood; Dominic S. Wright
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 15
• Pages of publication: 3002 - 3008
• a: 8.2142 ± 0.0004 Å
• b: 14.7038 ± 0.0005 Å
• c: 18.972 ± 0.0011 Å
• α: 90°
• β: 100.466 ± 0.002°
• γ: 90°
• Cell volume: 2253.31 ± 0.19 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0807
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections: 0.156
• Weighted residual factors for significantly intense reflections: 0.1011
• Goodness-of-fit parameter for all reflections: 1.021
• Goodness-of-fit parameter for significantly intense reflections: 1.085
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No