Information card for entry 4338020

Structure parameters

• Formula: C19 H22 F6 Ga N4 O4 P
• Calculated formula: C19 H22 F6 Ga N4 O4 P
• Title of publication: Metal Ion Complexes of N,N'-Bis(2-Pyridylmethyl)-1,3-Diaminopropane-N,N'-Diacetic Acid, H2bppd.
• Authors of publication: Kissel, Daniel S.; Florián, Jan; McLauchlan, Craig C.; Herlinger, Albert W.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 3404
• a: 9.6134 ± 0.0002 Å
• b: 20.2505 ± 0.0004 Å
• c: 11.6483 ± 0.0003 Å
• α: 90°
• β: 97.52 ± 0.001°
• γ: 90°
• Cell volume: 2248.14 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No