Information card for entry 7002731

Structure parameters

• Formula: C10 H6 Cl2 N12 Pd2
• Calculated formula: C10 H6 Cl2 N12 Pd2
• SMILES: c12c3[n]([Pd]4([n]1n(nn2)[Pd]1([n]2c(c5[n]1cccn5)nnn42)Cl)Cl)cccn3
• Title of publication: Influence of metal ions, coligands and reaction conditions on the structural versatility and properties of 5-pyrimidyl-tetrazolate containing complexes
• Authors of publication: Rodríguez-Diéguez, Antonio; Mota, Antonio J.; Seco, José M.; Palacios, María A.; Romerosa, Antonio; Colacio, Enrique
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 43
• Pages of publication: 9578 - 9586
• a: 22.66 ± 0.004 Å
• b: 5.2273 ± 0.001 Å
• c: 14.055 ± 0.003 Å
• α: 90°
• β: 113.884 ± 0.003°
• γ: 90°
• Cell volume: 1522.3 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No