Information card for entry 4333197

Structure parameters

• Formula: C50 H93 Br2 Ni2 P4
• Calculated formula: C50 H93 Br2 Ni2 P4
• SMILES: C1(CCCCC1)[P]1(C2CCCCC2)[Ni]2([P](C3CCCCC3)(C3CCCCC3)C[P](C3CCCCC3)(C3CCCCC3)[Ni]([H]2)([P](C2CCCCC2)(C2CCCCC2)C1)Br)Br
• Title of publication: Structural Factors Influencing Linear M−H−M Bonding in Bis(dialkylphosphino)methane Complexes of Nickel
• Authors of publication: Tyree, William S.; Vicic, David A.; Piccoli, Paula M. B.; Schultz, Arthur J.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 22
• Pages of publication: 8853 - 8855
• a: 22.484 ± 0.005 Å
• b: 22.484 ± 0.005 Å
• c: 20.323 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10274 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1888
• Residual factor for significantly intense reflections: 0.1377
• Weighted residual factors for significantly intense reflections: 0.264
• Weighted residual factors for all reflections included in the refinement: 0.2944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.253
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No