Information card for entry 4349385

Structure parameters

• Chemical name: N,N'-bis(2-pyridylmethyl)-trans-1,2-diaminocyclohexane-N,N'-diacetato- lanthanum(III) hexafluorophosphate hydrate
• Formula: C44 H60 F12 La1.22 N8 Na2.34 O12 P2
• Calculated formula: C44 H60 F12 La1.22 N8 Na2.3048 O12 P2
• Title of publication: Metal Ion Complexes of N,N'-Bis(2-Pyridylmethyl)-trans-1,2-Diaminocyclohexane-N,N'-Diacetic Acid, H₂bpcd: Lanthanide(III)-bpcd^2- Cationic Complexes.
• Authors of publication: McLauchlan, Craig C.; Florián, Jan; Kissel, Daniel S.; Herlinger, Albert W.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 6
• Pages of publication: 3556 - 3567
• a: 11.3362 ± 0.0004 Å
• b: 17.7054 ± 0.0006 Å
• c: 15.0548 ± 0.0005 Å
• α: 90°
• β: 110.619 ± 0.002°
• γ: 90°
• Cell volume: 2828.12 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0777
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.1677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.224
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No