Information card for entry 4060965

Structure parameters

• Formula: C12 H10 Cl N
• Calculated formula: C12 H10 Cl N
• SMILES: Clc1cc(ccc1)c1nccc(c1)C
• Title of publication: Synthesis and Structural Characterization of a Series of Novel Polyaromatic Ligands Containing Pyrene and Related Biscyclometalated Iridium(III) Complexes
• Authors of publication: Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 6
• Pages of publication: 1461 - 1471
• a: 7.4452 ± 0.001 Å
• b: 10.9266 ± 0.0015 Å
• c: 12.0699 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 981.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Duplicate of: 4074990
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No