Information card for entry 2220635

Structure parameters

• Chemical name: Aquabis(2,2'-bipyridine-k^2^N,N')(1H-indole-2-carboxylato-κ<i>O</i>)nickel(II) 1H-indole-2-carboxylate dihydrate
• Formula: C38 H34 N6 Ni O7
• Calculated formula: C38 H34 N6 Ni O7
• SMILES: [Ni]12([n]3ccccc3c3[n]1cccc3)([n]1ccccc1c1[n]2cccc1)([OH2])OC(=O)c1[nH]c2c(c1)cccc2.[nH]1c(cc2ccccc12)C(=O)[O-].O.O
• Title of publication: Aquabis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(1<i>H</i>-indole-2-carboxylato-κ<i>O</i>)nickel(II) 1<i>H</i>-indole-2-carboxylate dihydrate
• Authors of publication: Zhang, Bi-Song; Liu, Zhen-Xiang; Liu, Li-Hua; Pan, Tao; Ye, Su-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: m48 - m49
• a: 12.499 ± 0.008 Å
• b: 13.128 ± 0.009 Å
• c: 13.477 ± 0.009 Å
• α: 95.389 ± 0.009°
• β: 114.166 ± 0.009°
• γ: 117.804 ± 0.008°
• Cell volume: 1669.8 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes