Information card for entry 7000738

Structure parameters

• Formula: C85 H86 B2 Ir2 N P
• Calculated formula: C85 H86 B2 Ir2 N P
• SMILES: [Ir]1234567([Ir]89%10%11([n]%12c([P]1(c1ccccc1)c1ccccc1)cccc%12)([c]1([c]%11([c]%10([c]9([c]81C)C)C)C)C)([H]6)[H]7)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and reactivity of homo- and hetero-dimetallic complexes bridged by diphenyl-2-pyridylphosphine and hydrides: regioselectivity of alkyne insertion into unsaturated M1(μ-PPh2Py)(μ-H)2M2 moieties
• Authors of publication: Takahashi, Yoshinori; Murakami, Naoaki; Fujita, Ken-ichi; Yamaguchi, Ryohei
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 11
• Pages of publication: 2029 - 2042
• a: 18.8004 ± 0.0004 Å
• b: 18.6689 ± 0.0004 Å
• c: 20.223 ± 0.0004 Å
• α: 90°
• β: 92.86 ± 0.0008°
• γ: 90°
• Cell volume: 7089.1 ± 0.3 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for all reflections included in the refinement: 0.0404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No