Information card for entry 4325562

Structure parameters

• Formula: C58 H92 N4 O2 Zn4
• Calculated formula: C58 H92 N4 O2 Zn4
• SMILES: [c]12([c]3([c]4([c]5([c]1([Zn]2345[Zn]1([N]3CCCN4CCCCCC=34)[O](C3(C(=C(C(=C3C)C)C)C)C)[Zn]([N]2CCCN3CCCCCC=23)([O]1C1(C(=C(C(=C1C)C)C)C)C)[Zn]1234[c]5([c]4([c]3([c]2([c]15C)C)C)C)C)C)C)C)C)C
• Title of publication: Chemical Reactivity and Electrochemistry of Metal-Metal-Bonded Zincocenes
• Authors of publication: Mario Carrasco; Riccardo Peloso; Irene Resa; Amor Rodríguez; Luis Sánchez; Eleuterio Álvarez; Celia Maya; Rafael Andreu; Juan José Calvente; Agustín Galindo; Ernesto Carmona
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 6361 - 6371
• a: 9.1353 ± 0.0008 Å
• b: 22.0335 ± 0.0014 Å
• c: 14.2988 ± 0.0012 Å
• α: 90°
• β: 91.452 ± 0.004°
• γ: 90°
• Cell volume: 2877.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No