Information card for entry 7111083

Structure parameters

• Formula: C28 H22 N4 O22 Pd2 Zn3
• Calculated formula: C28 H14 N4 O22 Pd2 Zn3
• Title of publication: Hydrothermal crystal engineering using hard and soft acids and bases: synthesis and X-ray crystal structures of the metal hydroxide-based phases M3M′2(OH)2[NC5H3(CO2)2-2,4]4(H2O)4 (M = Co, Ni, Zn; M′ = Pd, Pt)
• Authors of publication: Gerrard, Lee A.; Wood, Paul T.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 21
• Pages of publication: 2107
• a: 6.529 ± 0.001 Å
• b: 8.124 ± 0.002 Å
• c: 16.719 ± 0.003 Å
• α: 75.94 ± 0.03°
• β: 88.73 ± 0.03°
• γ: 84.78 ± 0.03°
• Cell volume: 856.7 ± 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: 0.0601
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for all reflections: 0.1348
• Weighted residual factors for significantly intense reflections: 0.1
• Goodness-of-fit parameter for all reflections: 0.976
• Goodness-of-fit parameter for significantly intense reflections: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No