Information card for entry 2238058

Structure parameters

• Chemical name: μ~3~-Methoxido-κ^3^<i>O</i>:<i>O</i>:<i>O</i>-tris(μ-<i>L</i>-<i>p</i>-tyrosinato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>)tris(<i>L</i>-<i>p</i>-tyrosinato-κ^2^<i>N</i>,<i>O</i>)trinickel(II,III) methanol tetrasolvate
• Formula: C59 H63 N6 Ni3 O23
• Calculated formula: C59 H63 N6 Ni3 O23
• SMILES: [Ni]1234([O]5([Ni]67([NH2][C@H](C(=O)O6)Cc6ccc(cc6)O)([NH2][C@H](C(=O)[O]47)Cc4ccc(cc4)O)[O]4[Ni]65([O]3C(=O)[C@@H]([NH2]2)Cc2ccc(cc2)O)([NH2][C@H](C(=O)O6)Cc2ccc(cc2)O)[NH2][C@H](C4=O)Cc2ccc(cc2)O)C)[NH2][C@H](C(=O)O1)Cc1ccc(cc1)O.OC.OC.OC.OC
• Title of publication: μ~3~-Methoxido-κ^3^<i>O</i>:<i>O</i>:<i>O</i>-tris(μ-<small>L</small>-<i>p</i>-tyrosinato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>)tris(<small>L</small>-<i>p</i>-tyrosinato-κ^2^<i>N</i>,<i>O</i>)trinickel(II,III) methanol tetrasolvate
• Authors of publication: Tapala, Weerinradah; Prior, Timothy J.; Rujiwatra, Apinpus
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: m286 - m287
• a: 12.5688 ± 0.0006 Å
• b: 25.3381 ± 0.0009 Å
• c: 13.1058 ± 0.0007 Å
• α: 90°
• β: 96.74 ± 0.004°
• γ: 90°
• Cell volume: 4145 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 0.878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes