Information card for entry 2205516

Structure parameters

• Chemical name: Poly[[triaquacadmium(II)-μ~3~-lactato] dilactatoboron(1-)]
• Formula: C9 H19 B Cd O12
• Calculated formula: C9 H19 B Cd O12
• SMILES: [Cd]12([OH][C@@H](C)C(=O)O1)([OH2])([OH2])([OH2])[O]=C1[O]2[Cd]([OH][C@H]1C)([OH2])([OH2])[OH2].O=C1O[B]2(O[C@H]1C)OC(=O)[C@@H](O2)C.O=C1O[B]2(O[C@H]1C)OC(=O)[C@@H](O2)C
• Title of publication: Poly[[triaquacadmium(II)-μ~3~-lactato] dilactatoboron(1‒)]
• Authors of publication: Mehmet Akkurt; Sema Öztürk Yıldırım; Jayaraman Ramajothi; Orhan Büyükgüngör; Sivasubramanian Dhanuskodi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: m632 - m634
• a: 8.424 ± 0.005 Å
• b: 10.184 ± 0.005 Å
• c: 20.943 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1796.7 ± 1.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.0518
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No