Information card for entry 4089317

Structure parameters

• Common name: compound 4Ni_hexane
• Formula: C55 H69 B Co N6 Ni O3 P
• Calculated formula: C55 H62 B Co N6 Ni O3 P
• Title of publication: Rational Synthesis and Reversible Metal−Metal Bond Scission of Heterobimetallic Xenophilic Complexes Containing an Unsupported, Polar Metal−Metal Bond, TpiPr2M−Co(CO)3L (M = Ni, Co, Fe, Mn; L = CO, PPh3)
• Authors of publication: Uehara, Kazuhiro; Hikichi, Shiro; Akita, Munetaka
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 24
• Pages of publication: 5002
• a: 19.3358 ± 0.0009 Å
• b: 15.1917 ± 0.0004 Å
• c: 19.8168 ± 0.0007 Å
• α: 90°
• β: 109.604 ± 0.002°
• γ: 90°
• Cell volume: 5483.6 ± 0.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 8
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 0.712
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No