Information card for entry 1512673

Structure parameters

• Chemical name: N-(2-Chloro-5,11-dihydroindolo[3,2-c]quinolin-6-ylidene)-N'-(1-pyridin-2-yl -ethylidene)azine diethanol solvate
• Formula: C26 H28 Cl N5 O2
• Calculated formula: C26 H28 Cl N5 O2
• SMILES: Clc1cc2c(NC(=NN=C(C)c3ncccc3)c3c4ccccc4[nH]c23)cc1.OCC.OCC
• Title of publication: Ruthenium- and Osmium-Arene Complexes of 8-Substituted Indolo[3,2-c]quinolines: Synthesis,X-ray Diffraction Structures, Spectroscopic Properties, and Antiproli- ferative Activity
• Authors of publication: Lukas K. Filak; Simone Goeschl; Stefanie Hackl; Michael A. Jakupec; Vladimir B. Arion
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 393
• Pages of publication: 252 - 260
• a: 7.439 ± 0.0006 Å
• b: 15.6393 ± 0.0014 Å
• c: 21.2178 ± 0.0018 Å
• α: 90°
• β: 99.794 ± 0.005°
• γ: 90°
• Cell volume: 2432.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No