Information card for entry 7009574

Structure parameters

• Formula: C18 H28 Cl2 Cu N6 O8
• Calculated formula: C18 H24 Cl2 Cu N6 O8
• SMILES: [Cu]12345[NH](C)CC[NH]1Cc1[n]2c(ccc1)c1[n]3c(ccc1)C[NH]4CC[NH]5C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Copper-(II) and -(I) co-ordination by hexa-amine ligands of different rigidities. A thermodynamic, structural and electrochemical investigation †
• Authors of publication: Bazzicalupi, Carla; Bencini, Andrea; Ciattini, Samuele; Giorgi, Claudia; Masotti, Andrea; Paoletti, Piero; Valtancoli, Barbara; Navon, Nadav; Meyerstein, Dan
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 14
• Pages of publication: 2383
• a: 12.309 ± 0.009 Å
• b: 13.834 ± 0.009 Å
• c: 14.528 ± 0.007 Å
• α: 90°
• β: 97.74 ± 0.05°
• γ: 90°
• Cell volume: 2451 ± 3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.2966
• Residual factor for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections: 0.3969
• Weighted residual factors for significantly intense reflections: 0.2545
• Goodness-of-fit parameter for all reflections: 0.922
• Goodness-of-fit parameter for significantly intense reflections: 1.057
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No