Information card for entry 7114193

Structure parameters

• Formula: C83 H68 Cl2 Co8 N4 O32 Si4 Zn3
• Calculated formula: C82 H66 Co8 N4 O32 Si4 Zn3
• SMILES: c12ccc(cc1C=[N]1CCC[N]3=Cc4cc(ccc4[O]4[Zn]513[O]2[Zn]124([O]=C(C)O5)[O]3c4ccc(cc4C=[N]4CCC[N]5=Cc6cc(ccc6[O]1[Zn]345[O]=C(C)O2)[C]12=[C]3([Co]1(C#[O])(C#[O])(C#[O])[Co]23(C#[O])(C#[O])C#[O])[Si](C)(C)C)[C]12=[C]3([Co]1(C#[O])(C#[O])(C#[O])[Co]23(C#[O])(C#[O])C#[O])[Si](C)(C)C)[C]12=[C]3([Co]1(C#[O])(C#[O])(C#[O])[Co]23(C#[O])(C#[O])C#[O])[Si](C)(C)C)[C]12=[C]3([Co]1(C#[O])(C#[O])(C#[O])[Co]23(C#[O])(C#[O])C#[O])[Si](C)(C)C
• Title of publication: Synthesis and structure of a novel supramolecular Zn3Co8 assembly containing a linear Zn3 coreElectronic supplementary information (ESI) available: X-ray experimental and data. See http://www.rsc.org/suppdata/cc/b2/b209785k/
• Authors of publication: Zhang, Lilu; Jones, Richard A.; Lynch, Vincent M.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 24
• Pages of publication: 2986
• a: 8.5797 ± 0.0007 Å
• b: 14.5872 ± 0.001 Å
• c: 21.596 ± 0.002 Å
• α: 75.866 ± 0.002°
• β: 85.668 ± 0.002°
• γ: 80.523 ± 0.005°
• Cell volume: 2583.5 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2103
• Residual factor for significantly intense reflections: 0.0964
• Weighted residual factors for significantly intense reflections: 0.1658
• Weighted residual factors for all reflections included in the refinement: 0.1901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No