Information card for entry 7220357

Structure parameters

• Common name: 1
• Formula: C12 H12 N2 O4 Pd
• Calculated formula: C12 H12 N2 O4 Pd
• SMILES: CC1=C(C(=[O][Pd]2(O1)OC(=C(C(=[O]2)C)C#N)C)C)C#N
• Title of publication: Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network
• Authors of publication: Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 23
• Pages of publication: 4383
• a: 4.8536 ± 0.0011 Å
• b: 7.8906 ± 0.0017 Å
• c: 8.8251 ± 0.0019 Å
• α: 78.1348 ± 0.0027°
• β: 86.3966 ± 0.0028°
• γ: 75.122 ± 0.0028°
• Cell volume: 319.65 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0282
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No