Information card for entry 4112948

Structure parameters

• Formula: C58 H118 Mg4 N8 Na4 Os
• Calculated formula: C58 H118 Mg4 N8 Na4 Os
• SMILES: [Os]123456789[cH]%10[cH]1[c]1%112[Mg]2[N]([Na]%12%13[N]([Mg]%14[c]4%10%13([cH]3%11%12)[Na]3([N]([Mg]4[N]([Na]%10%11[N]([Mg]%12[N]([Na]1([N]2(C(C)C)C(C)C)[c]19%11%12[cH]5[cH]6[c]734[cH]8%101)(C(C)C)C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C)[N]%14(C(C)C)C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
• Title of publication: A Homologous Series of Regioselectively Tetradeprotonated Group 8 Metallocenes: New Inverse Crown Ring Compounds Synthesized via a Mixed Sodium-Magnesium Tris(diisopropylamide) Synergic Base
• Authors of publication: Prokopis C. Andrikopoulos; David R. Armstrong; William Clegg; Carly J. Gilfillan; Eva Hevia; Alan R. Kennedy; Robert E. Mulvey; Charles T. O'Hara; John A. Parkinson; Duncan M. Tooke
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 11612 - 11620
• a: 16.1472 ± 0.0002 Å
• b: 15.1476 ± 0.0002 Å
• c: 16.1729 ± 0.0002 Å
• α: 90°
• β: 117.255 ± 0.001°
• γ: 90°
• Cell volume: 3516.57 ± 0.08 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections included in the refinement: 0.0502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No