Information card for entry 4318206

Structure parameters

• Formula: C15 H60 Cd2.75 N3.5 O29.5 P2
• Calculated formula: C15 H28 Cd2.75 N3.5 O29.5 P2
• Title of publication: Synthesis, Characterization, and Crystal Structures of Two New Divalent Metal Complexes of N,N'-Bis(phosphonomethyl)-1,10-diaza-18-crown-6: A Hydrogen-Bonded 1D Array and a 3D Network with a Large Channel
• Authors of publication: Jiang-Gao Mao; Zhike Wang; Abraham Clearfield
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3713 - 3720
• a: 20.815 ± 0.0009 Å
• b: 20.815 ± 0.0009 Å
• c: 18.5846 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8052 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0934
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1943
• Weighted residual factors for all reflections included in the refinement: 0.2293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No