Information card for entry 4339632

Structure parameters

• Formula: C66 H46 Cl4 Mn2 N26
• Calculated formula: C66 H46 Cl4 Mn2 N26
• Title of publication: TCNE dimer dianion coordination complexes, [Mn(TPA)(TCNE)]2[micro2-(TCNE)2] and [Mn(TPA)(micro4-C4(CN)8)0.5].ClO4, TPA=tris(2-pyridylmethyl)amine: synthesis, structure and magnetic properties.
• Authors of publication: Wang, Guangbin; Slebodnick, Carla; Yee, Gordon T.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 23
• Pages of publication: 9641 - 9645
• a: 10.4432 ± 0.0017 Å
• b: 12.2726 ± 0.0016 Å
• c: 13.708 ± 0.002 Å
• α: 88.505 ± 0.012°
• β: 75.56 ± 0.014°
• γ: 87.077 ± 0.012°
• Cell volume: 1699 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1148
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1525
• Weighted residual factors for all reflections included in the refinement: 0.1827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No