Information card for entry 7039027

Structure parameters

• Formula: C54 H78 N6 O6 Zn6
• Calculated formula: C54 H78 N6 O6 Zn6
• SMILES: C(C)(C)(C)[Zn]12[n]3cccc3=C[O]1[Zn]1(C(C)(C)C)[n]3cccc3=C[O]1[Zn]1(C(C)(C)C)[n]3cccc3=C[O]1[Zn]1(C(C)(C)C)[n]3cccc3=C[O]1[Zn]1(C(C)(C)C)[n]3cccc3=C[O]1[Zn]1(C(C)(C)C)[n]3c(ccc3)=C[O]21
• Title of publication: Structural diversity of alkylzinc complexes with pyrrole-based N,O-ligands: from molecular complexes to coordination polymers.
• Authors of publication: Wróbel, Zbigniew; Justyniak, Iwona; Dranka, Izabela; Lewiński, Janusz
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 17
• Pages of publication: 7240 - 7243
• a: 11.323 ± 0.0003 Å
• b: 12.296 ± 0.0006 Å
• c: 12.912 ± 0.0005 Å
• α: 64.145 ± 0.002°
• β: 68.888 ± 0.002°
• γ: 86.131 ± 0.003°
• Cell volume: 1500.55 ± 0.11 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: 0.0518
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No