Information card for entry 7239762

Structure parameters

• Formula: C24 H25 Cl I N5 Pd
• Calculated formula: C24 H25 Cl I N5 Pd
• Title of publication: (Isocyano group)⋯lone pair interactions involving coordinated isocyanides: experimental, theoretical and CSD studies
• Authors of publication: Mikherdov, Alexander S.; Katkova, Svetlana A.; Novikov, Alexander S.; Efremova, Mariia M.; Reutskaya, Elena Yu.; Kinzhalov, Mikhail A.
• Journal of publication: CrystEngComm
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 7
• Pages of publication: 1154 - 1159
• a: 8.8377 ± 0.0006 Å
• b: 11.5913 ± 0.0009 Å
• c: 12.6874 ± 0.0011 Å
• α: 68.122 ± 0.008°
• β: 86.872 ± 0.007°
• γ: 80.728 ± 0.006°
• Cell volume: 1190.32 ± 0.18 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.045
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No