Information card for entry 7047216

Structure parameters

• Formula: C25 H29.6 Ca2 Cu3 N9 O24.3
• Calculated formula: C25 H29.6 Ca2 Cu3 N9 O24.3
• Title of publication: 2D and 3D mixed M^II/Cu^II metal-organic frameworks (M = Ca and Sr) with N,N'-2,6-pyridinebis(oxamate) and oxalate: preparation and magneto-structural study.
• Authors of publication: Fernandes, Tamires S.; Melo, Wanessa D. C.; Kalinke, Lucas H. G.; Rabelo, Renato; Valdo, Ana K.; da Silva, Cameron C.; Martins, Felipe T.; Amorós, Pedro; Lloret, Francesc; Julve, Miguel; Cangussu, Danielle
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 33
• Pages of publication: 11539 - 11553
• a: 25.7295 ± 0.0018 Å
• b: 20.4448 ± 0.0018 Å
• c: 20.9078 ± 0.0015 Å
• α: 90°
• β: 107.05 ± 0.005°
• γ: 90°
• Cell volume: 10514.8 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0914
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.173
• Weighted residual factors for all reflections included in the refinement: 0.1963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No