Information card for entry 4325560

Structure parameters

• Formula: C72 H100 N4 O2 Zn4
• Calculated formula: C72 H100 N4 O2 Zn4
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Zn]2345[Zn]1([n]2ccc(N3CCCC3)cc2)[O](C2(C(=C(C(=C2C)C)C)C)C)[Zn]([n]2ccc(N3CCCC3)cc2)([O]1C1(C(=C(C(=C1C)C)C)C)C)[Zn]1234[c]5([c]1([c]2([c]3([c]45C)C)C)C)C)C)C)C)C.c1(ccccc1)C.c1(ccccc1)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: 12.1601 ± 0.0017 Å
• b: 12.9369 ± 0.0018 Å
• c: 13.619 ± 0.0019 Å
• α: 103.123 ± 0.005°
• β: 109.06 ± 0.005°
• γ: 110.926 ± 0.005°
• Cell volume: 1742.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0901
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.2182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No