Information card for entry 2015066

Structure parameters

• Chemical name: catena-poly[[[aquabis(1,10-phenanthroline-κ^2^N,N')lead(II)]- μ~1,2,3~-squarato-κO:O':O''] dihydrate]
• Formula: C28 H22 N4 O7 Pb
• Calculated formula: C28 H22 N4 O7 Pb
• SMILES: [Pb]123([n]4cccc5ccc6ccc[n]1c6c45)([n]1cccc4ccc5ccc[n]2c5c14)([OH2])OC1=C(O3)C(C1=O)=[O][Pb]123([n]4cccc5ccc6ccc[n]1c6c45)([n]1cccc4ccc5ccc[n]2c5c14)([OH2])OC1=C(O3)C(C1=O)=O.O.O.O.O
• Title of publication: A bicapped trigonal‒prismatic lead complex: <i>catena</i>-poly[[[aquabis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')lead(II)]-μ-squarato-κ<i>O</i>^1^:κ^2^<i>O</i>^2^,<i>O</i>^3^] dihydrate]
• Authors of publication: Uçar, İbrahim; Bulut, Ahmet; Kazak, Canan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: m428 - m431
• a: 18.5438 ± 0.001 Å
• b: 7.2746 ± 0.0003 Å
• c: 19.8774 ± 0.0011 Å
• α: 90°
• β: 106.578 ± 0.004°
• γ: 90°
• Cell volume: 2570 ± 0.2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• 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: 0.0337
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes