Information card for entry 4326509

Structure parameters

• Formula: C36 H37 Co I2 N O P2
• Calculated formula: C36 H37 Co I2 N O P2
• SMILES: [Co]1(I)(I)[P](CCN(CC[P]1(c1ccccc1)c1ccccc1)Cc1ccc(OC)cc1)(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: 9.288 ± 0.0004 Å
• b: 13.5281 ± 0.0005 Å
• c: 27.2546 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3424.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0283
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0376
• Weighted residual factors for all reflections included in the refinement: 0.0381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.548
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No