Information card for entry 2206611

Structure parameters

• Chemical name: Bis(2,2'-bipyridine)-1k^2^N:N';3k^2^N:N'-hexakis(μ-α-methylacrylato)- 1:2k^6^O:O';2:3k^6^O:O'-nitrato-2k^2^O:O'-dizinc(II)neodymium(III)
• Formula: C44 H46 N5 Nd O15 Zn2
• Calculated formula: C44 H46 N5 Nd O15 Zn2
• SMILES: [Nd]12345(OC(=[O][Zn]6([O]=C(C(C)=C)O1)([O]=C(O2)C(=C)C)[n]1ccccc1c1[n]6cccc1)C(=C)C)([O]=N(O3)=O)OC(C(=C)C)=[O][Zn]1([O]=C(O4)C(=C)C)([O]=C(C(=C)C)O5)[n]2ccccc2c2[n]1cccc2
• Title of publication: Bis(2,2'-bipyridine)-1κ^2^<i>N</i>:<i>N</i>';3κ^2^<i>N</i>:<i>N</i>'-hexakis(μ-α-methylacrylato)-1:2κ^6^<i>O</i>:<i>O</i>';2:3κ^6^<i>O</i>:<i>O</i>'-nitrato-2κ^2^<i>O</i>:<i>O</i>'-dizinc(II)neodymium(III)
• Authors of publication: Yue Zhu; Weimin Lu; Meng Ma; Fang Chen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: m1610 - m1612
• a: 11.3751 ± 0.0009 Å
• b: 13.7258 ± 0.0008 Å
• c: 16.4798 ± 0.0011 Å
• α: 103.903 ± 0.004°
• β: 99.49 ± 0.004°
• γ: 100.168 ± 0.005°
• Cell volume: 2399.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes