Information card for entry 7037029

Structure parameters

• Formula: C63 H60 B Cu F4 N7 O6 P2 Re
• Calculated formula: C63 H60 B Cu F4 N7 O6 P2 Re
• Title of publication: Targeting divalent metal cations with Re(i) tetrazolato complexes.
• Authors of publication: Fiorini, Valentina; Ranieri, Anna Maria; Muzzioli, Sara; Magee, Karen D. M.; Zacchini, Stefano; Akabar, Nurshadrina; Stefan, Alessandra; Ogden, Mark I.; Massi, Massimiliano; Stagni, Stefano
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 47
• Pages of publication: 20597 - 20608
• a: 13.358 ± 0.003 Å
• b: 13.894 ± 0.003 Å
• c: 17.428 ± 0.004 Å
• α: 73.596 ± 0.003°
• β: 89.985 ± 0.003°
• γ: 79.009 ± 0.003°
• Cell volume: 3041.1 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0821
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.1692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No