Information card for entry 7008680

Structure parameters

• Formula: C20 H46 Cl Co N6 O12
• Calculated formula: C20 H46 Cl Co N6 O12
• SMILES: [Co]1234([NH]5CC(C[NH]1CC[NH]2CC(C[NH]3CC5)(C)NCc1ccc(cc1)C(=O)[O-])(C)[NH2]4)O.Cl(=O)(=O)(=O)[O-].O.O.O.O.O
• Title of publication: Immobilisation of electroactive macrocyclic complexes within titania films.
• Authors of publication: Bernhardt, Paul V.; Kilah, Nathan L.; Meacham, Andrew P.; Meredith, Paul; Vogel, Robert
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 15
• Pages of publication: 2508 - 2515
• a: 9.235 ± 0.003 Å
• b: 24.023 ± 0.003 Å
• c: 13.845 ± 0.002 Å
• α: 90°
• β: 109.01 ± 0.02°
• γ: 90°
• Cell volume: 2904 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1032
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.2061
• Weighted residual factors for all reflections included in the refinement: 0.2381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No