Information card for entry 7008412

Structure parameters

• Formula: C6 H12 N2 O6 P2 Zn2
• Calculated formula: C6 H12 N2 O6 P2 Zn2
• Title of publication: The pH-controlled hydrothermal synthesis and crystal structures of two zinc N,N'-piperazinebis(methylenephosphonate) frameworks.
• Authors of publication: Groves, John A.; Wright, Paul A.; Lightfoot, Philip
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 11
• Pages of publication: 2007 - 2010
• a: 6.2531 ± 0.0004 Å
• b: 10.6598 ± 0.0006 Å
• c: 8.5163 ± 0.0005 Å
• α: 90°
• β: 101.426 ± 0.001°
• γ: 90°
• Cell volume: 556.42 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.693 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No