Information card for entry 2007693

Structure parameters

• Formula: C49 H78 Cl2 F12 N6 O14 P2 Ru
• Calculated formula: C49 H78 Cl2 F12 N6 O14 P2 Ru
• SMILES: [Ru]1([n]2c3c4[n]1cccc4ccc3ccc2)([NH3])([NH3])([NH3])[NH3].ClCCl.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O1c2c(OCCOCCOCCOCCOCCOCCOc3c(OCCOCCOCCOCCOCCOCC1)cccc3)cccc2
• Title of publication: An Adduct Between Tetraammine(1,10-phenanthroline)ruthenium(II) and Dibenzo-42-crown-14
• Authors of publication: Dong I. Yoon; Suzanne Bélanger; Joseph T. Hupp; Charlotte L. Stern
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 1427 - 1431
• a: 11.479 ± 0.002 Å
• b: 12.828 ± 0.002 Å
• c: 22.475 ± 0.003 Å
• α: 89.04 ± 0.01°
• β: 84.8 ± 0.01°
• γ: 69.19 ± 0.01°
• Cell volume: 3080.4 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153.2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.073
• Goodness-of-fit parameter for all reflections: 1.292
• Goodness-of-fit parameter for significantly intense reflections: 1.89
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No