Information card for entry 7201800

Structure parameters

• Formula: C72 H48 Co2 Cu11 I15 N12
• Calculated formula: C72 H48 Co2 Cu11 I15 N12
• Title of publication: [Co(phen3)]2[Cu11I15]: a mixed-metal iodocuprate containing the novel [Cu10I15]5− and [Cu12I15]3− clusters
• Authors of publication: Tershansy, Meredith A.; Goforth, Andrea M.; Ellsworth, Joseph M.; Smith, Mark D.; zur Loye, Hans-Conrad
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 7
• Pages of publication: 833
• a: 11.6555 ± 0.0004 Å
• b: 14.5125 ± 0.0005 Å
• c: 14.5394 ± 0.0005 Å
• α: 76.216 ± 0.001°
• β: 71.198 ± 0.001°
• γ: 81.153 ± 0.001°
• Cell volume: 2253.12 ± 0.14 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No