Information card for entry 4076164

Structure parameters

• Formula: C62 H78 Mg N4 O10
• Calculated formula: C62 H78 Mg N4 O10
• SMILES: [Mg]12([O]=C(Nc3ccccc3)c3cccc3=C(O1)Nc1ccccc1)(OC(Nc1ccccc1)=c1cccc1C(=[O]2)Nc1ccccc1)([O]1CCCC1)[O]1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1
• Title of publication: Synthesis and Structure of [trans-{1,2-Bis(κ2-O,O-N- phenylcarbamoyl)cyclopentadienylbis(thf)}magnesium]·4thf
• Authors of publication: Layfield, Richard A.; Humphrey, Simon M.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 24
• Pages of publication: 6063
• a: 8.009 ± 0.0002 Å
• b: 22.4905 ± 0.0006 Å
• c: 31.5481 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5682.6 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.175
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No