Information card for entry 4337424

Structure parameters

• Chemical name: 11-(4-Dimethylaminophenyl)dipyrido[3,2-a:2',3'-c]phenazine
• Formula: C27 H20 Cl3 N5
• Calculated formula: C27 H20 Cl3 N5
• SMILES: ClC(Cl)Cl.n1c2c3cccnc3c3ncccc3c2nc2ccc(c3ccc(N(C)C)cc3)cc12
• Title of publication: Intraligand charge-transfer excited States in re(i) complexes with donor-substituted dipyridophenazine ligands.
• Authors of publication: Larsen, Christopher B.; van der Salm, Holly; Clark, Charlotte A.; Elliott, Anastasia B. S.; Fraser, Michael G.; Horvath, Raphael; Lucas, Nigel T.; Sun, Xue-Zhong; George, Michael W.; Gordon, Keith C.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 1339 - 1354
• a: 6.892 ± 0.001 Å
• b: 10.453 ± 0.002 Å
• c: 16.852 ± 0.002 Å
• α: 89.638 ± 0.007°
• β: 85.067 ± 0.006°
• γ: 73.619 ± 0.006°
• Cell volume: 1160.3 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0955
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No