Information card for entry 7031834

Structure parameters

• Common name: [Ni2LMe(mu-L-prolinato)]BPh4
• Formula: C67 H92 B N7 Ni2 O2 S2
• Calculated formula: C67 H92 B N7 Ni2 O2 S2
• Title of publication: Selective complexation of α-amino acids and simple peptides via their carboxylate groups.
• Authors of publication: Schnitter, Roland; Gallego, Daniel; Kersting, Berthold
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 36
• Pages of publication: 13637 - 13648
• a: 15.245 ± 0.003 Å
• b: 16.34 ± 0.003 Å
• c: 16.867 ± 0.003 Å
• α: 116.77 ± 0.03°
• β: 105.89 ± 0.03°
• γ: 95.67 ± 0.03°
• Cell volume: 3485.2 ± 1.9 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No