Information card for entry 4326507

Structure parameters

• Formula: C34 H33 Co I2 N P2
• Calculated formula: C34 H33 Co I2 N P2
• SMILES: [Co]1(I)(I)[P](CCN(CC[P]1(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Dual Coordination Modes of Ethylene-Linked NP2 Ligands in Cobalt(II) and Nickel(II) Iodides
• Authors of publication: Qingchen Dong; Michael J. Rose; Wai-Yeung Wong; Harry B. Gray
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 10213 - 10224
• a: 11.7095 ± 0.0006 Å
• b: 14.259 ± 0.0007 Å
• c: 19.391 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3237.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0316
• Weighted residual factors for all reflections included in the refinement: 0.0326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.268
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No