Information card for entry 7041893

Structure parameters

• Formula: C62 H74 N18 Zn5
• Calculated formula: C62 H74 N18 Zn5
• Title of publication: One-pot synthesis of ultrastable pentanuclear alkylzinc complexes.
• Authors of publication: Bunzen, Hana; Grzywa, Maciej; Kalytta-Mewes, Andreas; Volkmer, Dirk
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 8
• Pages of publication: 2618 - 2625
• a: 15.254 ± 0.0004 Å
• b: 18.48 ± 0.0005 Å
• c: 23.6173 ± 0.0006 Å
• α: 90°
• β: 104.182 ± 0.001°
• γ: 90°
• Cell volume: 6454.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0463
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No