Information card for entry 4308358

Structure parameters

• Formula: C38 H62 Cl4 Co2 N10 O21
• Calculated formula: C38 H52 Cl4 Co2 N10 O21
• SMILES: [Co]1234([OH2])[n]5ccccc5C[N]51CC[N]3(Cc1[n]2cccc1)CC[N]4(CC5)CC[N]12[Co]345([OH2])[N](CC1)(Cc1[n]3cccc1)CC[N]5(Cc1[n]4cccc1)CC2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O.O
• Title of publication: Synthesis, Structure, and Kinetics and Stereochemistry of Base-Catalyzed Hydrolysis of meso- and rac-[Co2(tmpdtne)Cl2]4+, Bis(pentaamine) Complexes Devoid of Deprotonatable NH Centers
• Authors of publication: Jackson, W. Gregory; Dickie, Alistair J.; McKeon, Josephine A.; Spiccia, Leone; Brudenell, Suzanne J.; Hockless, David C. R.; Willis, Anthony C.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 2
• Pages of publication: 401 - 409
• a: 13.331 ± 0.003 Å
• b: 23.353 ± 0.005 Å
• c: 16.478 ± 0.004 Å
• α: 90°
• β: 94.98 ± 0.02°
• γ: 90°
• Cell volume: 5111 ± 2 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.3506
• Residual factor for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections: 1.5
• Goodness-of-fit parameter for all reflections included in the refinement: 2.096
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No