Information card for entry 4326506

Structure parameters

• Formula: C32 H29 I2 N Ni P2
• Calculated formula: C32 H29 I2 N Ni P2
• SMILES: [Ni]1(I)(I)[P](CN(C[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: 10.3909 ± 0.0005 Å
• b: 24.7658 ± 0.0011 Å
• c: 12.8704 ± 0.0006 Å
• α: 90°
• β: 112.745 ± 0.002°
• γ: 90°
• Cell volume: 3054.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0377
• Weighted residual factors for all reflections included in the refinement: 0.0385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.749
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No