Information card for entry 4326503

Structure parameters

• Formula: C35 H34 Br I2 N Ni P2
• Calculated formula: C35 H34 Br I2 N Ni P2
• SMILES: [Ni]12(I)[P](CC[N]2(CC[P]1(c1ccccc1)c1ccccc1)Cc1ccc(Br)cc1)(c1ccccc1)c1ccccc1.[I-]
• 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: 11.9678 ± 0.0006 Å
• b: 12.1991 ± 0.0012 Å
• c: 13.2965 ± 0.0007 Å
• α: 103.056 ± 0.004°
• β: 108.995 ± 0.003°
• γ: 102.7 ± 0.004°
• Cell volume: 1695 ± 0.2 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: 0.0475
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.0529
• Goodness-of-fit parameter for all reflections included in the refinement: 2.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No