Information card for entry 7208018

Structure parameters

• Common name: (Zn2(dppip)2(bpy)(H2O)4)(dmf)(H2O)1.5
• Formula: C41 H60 N3 O22 P2 Zn2
• Calculated formula: C41 H28 N3 O21.832 P2 Zn2
• Title of publication: Syntheses of metal‒organic frameworks with protected phosphonate ligands
• Authors of publication: Yamada, Teppei; Kitagawa, Hiroshi
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 12
• Pages of publication: 4148
• a: 9.5545 ± 0.0012 Å
• b: 10.3457 ± 0.0013 Å
• c: 13.7876 ± 0.0017 Å
• α: 81.615 ± 0.001°
• β: 82.813 ± 0.001°
• γ: 70.723 ± 0.001°
• Cell volume: 1268.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1293
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.1565
• Weighted residual factors for all reflections included in the refinement: 0.1709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No