Information card for entry 4333480

Structure parameters

• Common name: Ga(4-pyrdpm)~3~
• Formula: C42 H30 Ga N9
• Calculated formula: C42 H30 Ga N9
• SMILES: [Ga]123([n]4cccc4C(=c4cccn14)c1ccncc1)([n]1cccc1C(=c1cccn21)c1ccncc1)[n]1cccc1C(=c1ccc[n]31)c1ccncc1
• Title of publication: Rare Examples of Transition-Metal−Main-Group Metal Heterometallic Metal−Organic Frameworks from Gallium and Indium Dipyrrinato Complexes and Silver Salts: Synthesis and Framework Variability
• Authors of publication: Stork, Jay R.; Thoi, Van S.; Cohen, Seth M.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 26
• Pages of publication: 11213 - 11223
• a: 8.597 ± 0.003 Å
• b: 28.61 ± 0.009 Å
• c: 14.372 ± 0.005 Å
• α: 90°
• β: 107.716 ± 0.005°
• γ: 90°
• Cell volume: 3367 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0741
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No