Information card for entry 7011979

Structure parameters

• Formula: C6 H16 N2 O6 P2 Pb
• Calculated formula: C6 H16 N2 O6 P2 Pb
• SMILES: C1[N]2(CP(=O)(O[Pb]32[N](C1)(CP(=O)(O3)O)C)O)C
• 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: 17.202 ± 0.003 Å
• b: 8.8751 ± 0.0014 Å
• c: 8.271 ± 0.0013 Å
• α: 90°
• β: 105.014 ± 0.003°
• γ: 90°
• Cell volume: 1219.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0461
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No