Information card for entry 7023445

Structure parameters

• Formula: C45 H56 B Cl2 Cu F4 Fe N4 P2
• Calculated formula: C45 H56 B Cl2 Cu F4 Fe N4 P2
• Title of publication: Variable coordination of redox-active TCNB in discrete and polymeric ferrocenylcopper(i) complexes: structures and spectroelectrochemical behaviour.
• Authors of publication: Jana, Rajkumar; Mobin, Shaik M.; Schwederski, Brigitte; Fiedler, Jan; Kaim, Wolfgang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 45
• Pages of publication: 16142 - 16150
• a: 11.6575 ± 0.0005 Å
• b: 11.7073 ± 0.0004 Å
• c: 19.9358 ± 0.0007 Å
• α: 81.307 ± 0.003°
• β: 76.495 ± 0.003°
• γ: 62.819 ± 0.004°
• Cell volume: 2350.3 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No