Information card for entry 4067241

Structure parameters

• Formula: C73 H100 N8 O3 Zn4
• Calculated formula: C73 H100 N8 O3 Zn4
• SMILES: C123C4[N]5(C(C)C)[Zn]6(C#Cc7ccccc7)[N](C(C)C)=C3[N]3(C(C)C)[Zn]7(C#Cc8ccccc8)[N](=C1[N]6(C(C)C)[Zn]5([N](=C2[N]7(C(C)C)[Zn]3([N]=4C(C)C)C#Cc1ccccc1)C(C)C)C#Cc1ccccc1)C(C)C.O1CCCC1.O1CCCC1.O1CCCC1
• Title of publication: Synthesis, Structure, and Reactivity of a Tetranuclear Amidinato Zinc Hydride Complex
• Authors of publication: Gutschank, Benjamin; Schulz, Stephan; Bläser, Dieter; Boese, Roland; Wölper, Christoph
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 22
• Pages of publication: 6133
• a: 16.7697 ± 0.0005 Å
• b: 16.1494 ± 0.0005 Å
• c: 25.9714 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7033.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No