Information card for entry 7102664

Structure parameters

• Formula: C48 H62 Cl2 N6 O Zn2
• Calculated formula: C48 H62 Cl2 N6 O Zn2
• SMILES: [Zn]12(Cl)[n]3ccccc3C3=C4[N]([Zn](Cl)(n5c3c(c(CC)c5C)C)[n]3c(C(=C5[N]2=C(C(=C5C)CC)C)c2n1c(c(c2C)CC)C)cccc3)=C(C(=C4C)CC)C.O(CC)CC
• Title of publication: Synthesis and structural characterisation of novel bimetallic dipyrromethene complexes: rotational locking of the 5-aryl group.
• Authors of publication: Sutton, Jonathan M; Rogerson, Eleanor; Wilson, Christopher J; Sparke, Amanda E; Archibald, Stephen J; Boyle, Ross W
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 11
• Pages of publication: 1328 - 1329
• a: 11.4184 ± 0.0012 Å
• b: 24.785 ± 0.004 Å
• c: 16.7968 ± 0.0017 Å
• α: 90°
• β: 106.345 ± 0.008°
• γ: 90°
• Cell volume: 4561.4 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1762
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 0.697
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No