Information card for entry 7015196

Structure parameters

• Formula: C102 H94 B2 Cu2 N12 O
• Calculated formula: C102 H94 B2 Cu2 N12 O
• SMILES: [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccn1)[N]12Cc3cccc[n]3[Cu]2([n]2c(C1)cccc2)[n]1c(CN(c2ccccn2)Cc2cccc[n]2[Cu]23[N](c4ccccn4)(Cc4cccc[n]24)Cc2cccc[n]32)cccc1.CC(=O)C
• Title of publication: Syntheses, emission properties and intramolecular ligand exchange of zinc complexes with ligands belonging to the tmpa family.
• Authors of publication: Beitat, Alexander; Foxon, Simon P.; Brombach, Christoph-Cornelius; Hausmann, Heike; Heinemann, Frank W.; Hampel, Frank; Monkowius, Uwe; Hirtenlehner, Christa; Knör, Günther; Schindler, Siegfried
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 18
• Pages of publication: 5090 - 5101
• a: 17.762 ± 0.004 Å
• b: 20.211 ± 0.004 Å
• c: 24.377 ± 0.005 Å
• α: 90°
• β: 100.35 ± 0.03°
• γ: 90°
• Cell volume: 8609 ± 3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No