Information card for entry 7706495

Structure parameters

• Chemical name: Ge[Re(η5-Cp)(BDI)]2
• Formula: C73 H104 Ge N4 Re2
• Calculated formula: C73 H104 Ge N4 Re2
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Re]12345([N](c2c(C(C)C)cccc2C(C)C)=C(C)C=C(C)N1c1c(C(C)C)cccc1C(C)C)[Ge][Re]12345([cH]6[cH]4[cH]3[cH]2[cH]16)[N](c1c(C(C)C)cccc1C(C)C)=C(C)C=C(C)N5c1c(C(C)C)cccc1C(C)C.CCCCC
• Title of publication: σ or π? Bonding interactions in a series of rhenium metallotetrylenes.
• Authors of publication: Ouellette, Erik T.; Carpentier, Ambre; Joseph Brackbill, I.; Lohrey, Trevor D.; Douair, Iskander; Maron, Laurent; Bergman, Robert G.; Arnold, John
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 6
• Pages of publication: 2083 - 2092
• a: 12.4047 ± 0.0005 Å
• b: 16.4384 ± 0.0007 Å
• c: 17.3177 ± 0.0008 Å
• α: 103.05 ± 0.002°
• β: 102.812 ± 0.002°
• γ: 96.44 ± 0.002°
• Cell volume: 3305.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.7288 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No