Information card for entry 7002737

Structure parameters

• Formula: C30 H18 Dy2 N36 O12
• Calculated formula: C30 H18 Dy2 N36 O12
• SMILES: [OH2][Dy]123([OH2])([OH2])(n4c(c5[n]1cccn5)nnn4)(n1c(c4[n]2cccn4)nnn1)n1c2c4[n]3ccc[n]4[Dy]34([OH2])([OH2])([OH2])(n5c(c6[n]3cccn6)nnn5)(n3c(c5[n]4cccn5)nnn3)[n]2nn1.c1(c2ncccn2)[n]nnn1.O.O.O.O.O.O
• 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: 22.844 ± 0.003 Å
• b: 11.4283 ± 0.0014 Å
• c: 19.349 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5051.4 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No