Information card for entry 7031049

Structure parameters

• Formula: C66.5 H66.5 Ag2 Cl1.5 F12 N12 P2
• Calculated formula: C60 H56 Ag2 F12 N12 P2
• Title of publication: Cu(i) and Ag(i) complexes of 7,10-bis-N-heterocycle-diazafluoranthenes: programmed molecular grids?
• Authors of publication: Rahanyan, Nelli; Duttwyler, Simon; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 28
• Pages of publication: 11027 - 11038
• a: 17.7686 ± 0.0001 Å
• b: 16.8498 ± 0.0002 Å
• c: 23.2107 ± 0.0002 Å
• α: 90°
• β: 90.2002 ± 0.0006°
• γ: 90°
• Cell volume: 6949.18 ± 0.11 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1511
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No