Information card for entry 1551592

Structure parameters

• Formula: C35 H46 B2 Cl2 Cu2 F8 N6 O5
• Calculated formula: C35 H46 B2 Cl2 Cu2 F8 N6 O5
• SMILES: [Cu]12(OC(=O)C)([OH2])[n]3ccccc3C[N]2(Cc2[n]1cccc2)CCCCCC[N]12[Cu]([F][B](F)(F)F)(OC(=O)C)([n]3ccccc3C1)[n]1ccccc1C2.ClCCl.[B](F)(F)(F)[F-]
• Title of publication: Synthesis and Crystal Structure of a Dinuclear Cu(II) Complex with <i>N,N,N</i>′,<i>N</i>′-Tetrakis(2-pyridylmethyl)-1,6-hexanediamine
• Authors of publication: UMEMOTO, Yusuke; YONEDA, Ko; YAMADA, Yasunori; KOIKAWA, Masayuki
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2017
• Journal volume: 33
• Journal issue: 0
• Pages of publication: 65
• a: 8.4305 ± 0.0016 Å
• b: 27.302 ± 0.005 Å
• c: 19.131 ± 0.004 Å
• α: 90°
• β: 102.724 ± 0.002°
• γ: 90°
• Cell volume: 4295.2 ± 1.4 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 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: 0.0908
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1793
• Weighted residual factors for all reflections included in the refinement: 0.1976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No