Information card for entry 1569094

Structure parameters

• Formula: C59 H46 F12 N10 O3 Os2 P2 S2
• Calculated formula: C59 H46 F12 N10 O3 Os2 P2 S2
• SMILES: [Os]123([n]4ccccc4c4[n]3cccc4)(Oc3ccccc3c3sc4[n]5[Os]67(Oc8ccccc8c5sc4[n]13)([n]1c(c3[n]6cccc3)cccc1)[n]1ccccc1c1[n]7cccc1)[n]1ccccc1c1[n]2cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O=C(C)C
• a: 13.5131 ± 0.0002 Å
• b: 16.652 ± 0.0003 Å
• c: 18.5981 ± 0.0003 Å
• α: 115.641 ± 0.002°
• β: 92.209 ± 0.002°
• γ: 110.913 ± 0.002°
• Cell volume: 3430.48 ± 0.14 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 110 ± 1 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: 0.0489
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No