Information card for entry 7011978

Structure parameters

• Formula: C6 H20 N2 Ni O8 P2
• Calculated formula: C6 H20 N2 Ni O8 P2
• Title of publication: Building layered structures from hydrogen bonded molecular units and 1D metal phosphonate chains: synthesis, characterization and crystal structures of N,N???-dimethyl-N,N???-ethylenediamine-bis(methylenephosphonic acid), its Ni(ii) and Pb(ii) complexes
• Authors of publication: Mao, Jiang-Gao; Wang, Zhike; Clearfield, Abraham
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 24
• Pages of publication: 4541
• a: 8.302 ± 0.007 Å
• b: 9.042 ± 0.007 Å
• c: 9.932 ± 0.008 Å
• α: 90°
• β: 112.577 ± 0.013°
• γ: 90°
• Cell volume: 688.4 ± 1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1655
• Weighted residual factors for all reflections included in the refinement: 0.1692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No