Information card for entry 4075122

Structure parameters

• Common name: 1111 [Mo(PNP-iPr)(CO)3(I)].(I3)
• Formula: C20 H33 I4 Mo N3 O3 P2
• Calculated formula: C20 H33 I4 Mo N3 O3 P2
• Title of publication: Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines
• Authors of publication: Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 8
• Pages of publication: 1900
• a: 8.1066 ± 0.0004 Å
• b: 13.3085 ± 0.0008 Å
• c: 15.5256 ± 0.0008 Å
• α: 102.783 ± 0.001°
• β: 92.557 ± 0.001°
• γ: 107.697 ± 0.001°
• Cell volume: 1544.87 ± 0.14 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: 0.0229
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0537
• Weighted residual factors for all reflections included in the refinement: 0.0543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No