Information card for entry 7108397

Structure parameters

• Formula: C78 H96 Ge2 N4
• Calculated formula: C78 H96 Ge2 N4
• SMILES: N1(c2c(cccc2C(C)C)C(C)C)C(=[Ge][Ge]=C2N(C=CN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)N(C=C1)c1c(C(C)C)cccc1C(C)C.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: An N-heterocyclic carbene adduct of diatomic tin, :Sn[double bond, length as m-dash]Sn:
• Authors of publication: Cameron Jones; Anastas Sidiropoulos; Nicole Holzmann; Gernot Frenking; Andreas Stasch
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 9855
• a: 12.2533 ± 0.0007 Å
• b: 22.8619 ± 0.0012 Å
• c: 13.0395 ± 0.0007 Å
• α: 90°
• β: 108.371 ± 0.001°
• γ: 90°
• Cell volume: 3466.6 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0994
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No