Information card for entry 4309305

Structure parameters

• Formula: C15 H36 Er N4 O14 P
• Calculated formula: C15 H24 Er N4 O14 P
• Title of publication: Crystal Structures of Lanthanide(III) Complexes with Cyclen Derivative Bearing Three Acetate and One Methylphosphonate Pendants
• Authors of publication: Pavel Vojtíšek; Petr Cígler; Jan Kotek; Jakub Rudovský; Petr Hermann; Ivan Lukeš
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 5591 - 5599
• a: 8.6769 ± 0.0001 Å
• b: 9.416 ± 0.0002 Å
• c: 16.8348 ± 0.0003 Å
• α: 83.1256 ± 0.0007°
• β: 83.251 ± 0.0008°
• γ: 67.4943 ± 0.001°
• Cell volume: 1257.68 ± 0.04 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: 0.0546
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No