Information card for entry 7007301

Structure parameters

• Formula: C12 H28 N4 O6 P2 Zn
• Calculated formula: C12 H28 N4 O6 P2 Zn
• Title of publication: Thermodynamic, kinetic and solid-state study of divalent metal complexes of 1,4,8,11-tetraazacyclotetradecane (cyclam) bearing two trans (1,8-)methylphosphonic acid pendant arms.
• Authors of publication: Svobodová, Ivona; Lubal, Premysl; Plutnar, Jan; Havlícková, Jana; Kotek, Jan; Hermann, Petr; Lukes, Ivan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 43
• Pages of publication: 5184 - 5197
• a: 9.4638 ± 0.0007 Å
• b: 9.5509 ± 0.0006 Å
• c: 11.1074 ± 0.0008 Å
• α: 89.068 ± 0.004°
• β: 88.094 ± 0.003°
• γ: 60.882 ± 0.003°
• Cell volume: 876.61 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No