Information card for entry 4347169

Structure parameters

• Common name: (mu2-alpha,alpha'-bis((5,7-Dimethyl-1,4,8,11-tetra-azacyclotetradecan-6-yl) -o-xylene))-di-nickel(ii) cyanate clathrate dicyanate perchlorate 2.5 hydrate
• Formula: C35 H67 Cl N11 Ni2 O9.5
• Calculated formula: C35 H62 Cl N11 Ni2 O9.5
• Title of publication: Anion Binding by Dimetallic Nickel(II) and Nickel(III) Complexes of a Face-to-Face Bicyclam: Looking for a Bimacrocyclic Effect.
• Authors of publication: Boiocchi, Massimo; Fabbrizzi, Luigi; Fusco, Nadia; Invernici, Michele; Licchelli, Maurizio; Poggi, Antonio
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 2946 - 2959
• a: 9.5464 ± 0.0005 Å
• b: 25.5845 ± 0.0012 Å
• c: 18.1421 ± 0.0009 Å
• α: 90°
• β: 90.9118 ± 0.0009°
• γ: 90°
• Cell volume: 4430.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0722
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No