Information card for entry 2221648

Structure parameters

• Chemical name: <i>catena</i>-Poly[[diaquacadmium(II)]-μ-(methyl morpholino dichloromethylenediphosphonato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>''- [tetraaquacadmium(II)]-μ-(methyl morpholino dichloromethylenediphosphonato)-κ^3^<i>O</i>:<i>O</i>',<i>O</i>'']
• Formula: C6 H17 Cd Cl2 N O9 P2
• Calculated formula: C6 H17 Cd Cl2 N O9 P2
• SMILES: [Cd]12([OH2])([OH2])(OP(OC)(C(Cl)(Cl)P(=O)(O1)N1CCOCC1)=[O][Cd]([OH2])([OH2])([OH2])[OH2])OP(OC)(C(Cl)(Cl)P(=O)(O2)N1CCOCC1)=[O][Cd]([OH2])([OH2])([OH2])([OH2])[O]=P1(OC)O[Cd]2([OH2])(OP(=O)(N3CCOCC3)C1(Cl)Cl)([OH2])OP(=O)(N3CCOCC3)C(P(=O)(OC)O2)(Cl)Cl
• Title of publication: <i>catena</i>-Poly[[diaquacadmium(II)]-μ-(methyl morpholino dichloromethylenediphosphonato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>''-[tetraaquacadmium(II)]-μ-(methyl morpholino dichloromethylenediphosphonato)-κ^3^<i>O</i>:<i>O</i>'<i>,O</i>'']
• Authors of publication: Jokiniemi, Jonna; Vepsäläinen, Jouko; Ahlgrén, Markku
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: m600 - m601
• a: 26.2488 ± 0.0008 Å
• b: 7.6578 ± 0.0003 Å
• c: 17.5445 ± 0.0007 Å
• α: 90°
• β: 116.002 ± 0.003°
• γ: 90°
• Cell volume: 3169.6 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.0396
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes