Information card for entry 4326502

Structure parameters

• Formula: C35 H34 Br Co I2 N P2
• Calculated formula: C35 H34 Br Co I2 N P2
• SMILES: [Co]1(I)(I)[P](CCN(CC[P]1(c1ccccc1)c1ccccc1)Cc1ccc(Br)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: 9.5306 ± 0.0004 Å
• b: 11.7513 ± 0.0005 Å
• c: 15.7593 ± 0.0007 Å
• α: 98.758 ± 0.002°
• β: 93.89 ± 0.002°
• γ: 101.072 ± 0.002°
• Cell volume: 1703.35 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0381
• Weighted residual factors for all reflections included in the refinement: 0.0393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.433
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No