Information card for entry 7208669

Structure parameters

• Formula: C12 H18 N4
• Calculated formula: C12 H18 N4
• SMILES: n1(CCC)ccnc1c1n(ccn1)CCC
• Title of publication: Metallophilic interactions in stacked dinuclear rhodium 2,2′-biimidazole carbonyl complexes
• Authors of publication: Laurila, Elina; Tatikonda, Rajendhraprasad; Oresmaa, Larisa; Hirva, Pipsa; Haukka, Matti
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 24
• Pages of publication: 8401
• a: 13.3579 ± 0.0005 Å
• b: 9.9265 ± 0.0004 Å
• c: 18.76 ± 0.0007 Å
• α: 90°
• β: 106.731 ± 0.002°
• γ: 90°
• Cell volume: 2382.22 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No