Information card for entry 7203017

Structure parameters

• Common name: none
• Formula: C24 H22 Cl2 Mn N4
• Calculated formula: C24 H22 Cl2 Mn N4
• SMILES: [Mn]12(Cl)(Cl)[n]3c(cccc3)C[N]2(Cc2[n]1cccc2)c1ccc(cc1)Cc1ncccc1
• Title of publication: Coordination chemistry of N,N,4-tris(pyridin-2-ylmethyl)aniline: a novel flexible, multimodal ligand
• Authors of publication: Almesåker, Ann; Bourne, Susan A.; Ramon, Gaëlle; Scott, Janet L.; Strauss, Christopher R.
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 997
• a: 8.7284 ± 0.0002 Å
• b: 17.3023 ± 0.0003 Å
• c: 15.7446 ± 0.0004 Å
• α: 90°
• β: 102.236 ± 0.001°
• γ: 90°
• Cell volume: 2323.76 ± 0.09 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• 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: 0.0764
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 0.782
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No