Information card for entry 7030519

Structure parameters

• Common name: Compound 5c
• Formula: C61 H73 N4 O2 P2 Ti
• Calculated formula: C61 H73 N4 O2 P2 Ti
• Title of publication: Synthesis, structures and reactivity of 2-phosphorylmethyl-1H-pyrrolato complexes of titanium, yttrium and zinc
• Authors of publication: Broomfield, Lewis M.; Wright, Joseph A.; Bochmann, Manfred
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 39
• Pages of publication: 8269 - 8279
• a: 12.1366 ± 0.0013 Å
• b: 16.2331 ± 0.0017 Å
• c: 16.3753 ± 0.0017 Å
• α: 108.236 ± 0.009°
• β: 95.852 ± 0.009°
• γ: 107.144 ± 0.009°
• Cell volume: 2860.2 ± 0.6 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1815
• Residual factor for significantly intense reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.1901
• Weighted residual factors for all reflections included in the refinement: 0.2274
• Goodness-of-fit parameter for all reflections included in the refinement: 0.877
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7002382
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No