Information card for entry 4346427

Structure parameters

• Formula: C50 H66 Cu2 Ge2 I2 N8 O
• Calculated formula: C50 H66 Cu2 Ge2 I2 N8 O
• SMILES: [Ge]12([Cu]34([Cu]([Ge]5(O1)[N](CC(C)C)=C1C=CC=CC=C1N5CC(C)C)([I]3)([I]4)[n]1ccccc1)[n]1ccccc1)[N](=C1C=CC=CC=C1N2CC(C)C)CC(C)C.c1ncccc1.c1ccncc1
• Title of publication: Digermylene Oxide Stabilized Group 11 Metal Iodide Complexes.
• Authors of publication: Yadav, Dhirendra; Siwatch, Rahul Kumar; Sinhababu, Soumen; Karwasara, Surendar; Singh, Dharmendra; Rajaraman, Gopalan; Nagendran, Selvarajan
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 23
• Pages of publication: 11067 - 11076
• a: 23.773 ± 0.005 Å
• b: 10.873 ± 0.002 Å
• c: 21.329 ± 0.004 Å
• α: 90°
• β: 98.95 ± 0.03°
• γ: 90°
• Cell volume: 5446.1 ± 1.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0567
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No