Information card for entry 4316270

Structure parameters

• Chemical name: catena-{bis(tetraphenylphosphonium)[μ3-chloro-tris-μ3-mesoxalato- -κO:O',O'':O'',O''':O''''-triscuprate(II)-manganate(II)} monohydrate (Ph4P)2[MnCu3(mesox)3Cl].H2o with H2 on crystal water included for calculation: C57 H45 Cl Cu3 Mn O19 P2, M = 1376.88 Z = 4, F(000) = 2792, Dx = 1.605 g/cm-3
• Formula: C57 H43 Cl Cu3 Mn O19 P2
• Calculated formula: C57 H43 Cl Cu3 Mn O19 P2
• Title of publication: Magnetic Ordering in Two Molecule-Based (10,3)-a Nets Prepared from a Copper(II) Trinuclear Secondary Building Unit
• Authors of publication: Beatriz Gil-Hernández; Pedro Gili; Jana K. Vieth; Christoph Janiak; Joaquín Sanchiz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 7478 - 7490
• a: 16.963 ± 0.003 Å
• b: 18.283 ± 0.003 Å
• c: 18.373 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5698.1 ± 1.7 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.1643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No