Information card for entry 7230120

Structure parameters

• Formula: C20 H22 Cr2 Cu N6 O7
• Calculated formula: C20 H22 Cr2 Cu N6 O7
• Title of publication: Crystal engineering of dichromate pillared hybrid ultramicroporous materials incorporating pyrazole-based ligands
• Authors of publication: Scott, Hayley S.; Mukherjee, Soumya; Turner, David R.; Polson, Matthew I. J.; Zaworotko, Michael J.; Kruger, Paul E.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 9
• Pages of publication: 1193
• a: 14.71 ± 0.003 Å
• b: 14.32 ± 0.003 Å
• c: 15.8 ± 0.003 Å
• α: 90°
• β: 96.47 ± 0.03°
• γ: 90°
• Cell volume: 3307 ± 1.2 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No