Information card for entry 4344966

Structure parameters

• Formula: C59 H57 Cl3 Cu2 N24 O12
• Calculated formula: C59 H57 Cl3 Cu2 N24 O12
• SMILES: [Cu]123([n]4nn(Cc5ccccc5)cc4C[N]1(Cc1[n]2nn(c1)Cc1ccccc1)Cc1[n]3nn(Cc2ccccc2)c1)[N]([Cu]123[n]4nn(c5ccccc5)cc4C[N]3(Cc3[n]2nn(c2ccccc2)c3)Cc2[n]1nn(c1ccccc1)c2)=N#N.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].N#CC
• Title of publication: Control of Complex Formation through Peripheral Substituents in Click-Tripodal Ligands: Structural Diversity in Homo- and Heterodinuclear Cobalt-Azido Complexes.
• Authors of publication: Sommer, Michael G.; Marx, Raphael; Schweinfurth, David; Rechkemmer, Yvonne; Neugebauer, Petr; van der Meer, Margarethe; Hohloch, Stephan; Demeshko, Serhiy; Meyer, Franc; van Slageren, Joris; Sarkar, Biprajit
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 402 - 413
• a: 15.845 ± 0.003 Å
• b: 16.3 ± 0.003 Å
• c: 26.104 ± 0.004 Å
• α: 90°
• β: 93.266 ± 0.004°
• γ: 90°
• Cell volume: 6731 ± 2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No