Information card for entry 7246206

Structure parameters

• Formula: C63 H60 Cu2 I2 N10 O3 P2
• Calculated formula: C63 H60 Cu2 I2 N10 O3 P2
• Title of publication: Structure and emission properties of dinuclear copper(i) complexes with pyridyltriazole
• Authors of publication: Gusev, Alexey; Kiskin, Mikhail; Braga, Elena; Zamnius, Ekaterina; Kryukova, Mariya; Karaush-Karmazin, Nataliya; Baryshnikov, Glib; Minaev, Boris; Linert, Wolfgang
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 6
• Pages of publication: 3899 - 3909
• a: 11.3677 ± 0.0006 Å
• b: 12.0415 ± 0.0006 Å
• c: 13.6045 ± 0.0007 Å
• α: 65.426 ± 0.002°
• β: 78.953 ± 0.002°
• γ: 64.641 ± 0.002°
• Cell volume: 1530.17 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No