Information card for entry 1550600

Structure parameters

• Formula: C30 H46 Cl2 Ge2 N4 O2
• Calculated formula: C30 H46 Cl2 Ge2 N4 O2
• SMILES: [Ge]12(Cl)(O[Ge]3(Cl)(O1)N(C1=CC=CC=CC1=[N]3CC(C)C)CC(C)C)[N](=C1C=CC=CC=C1N2CC(C)C)CC(C)C
• Title of publication: Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity
• Authors of publication: Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 8.2234 ± 0.0014 Å
• b: 10.4654 ± 0.0017 Å
• c: 11.0901 ± 0.0019 Å
• α: 105.331 ± 0.003°
• β: 105.474 ± 0.003°
• γ: 104.265 ± 0.003°
• Cell volume: 833.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No