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Information card for entry 4326816
Preview
Coordinates | 4326816.cif |
---|---|
Structure factors | 4326816.hkl |
Original paper (by DOI) | HTML |
Formula | C56.629 H54.812 Br Cl0.629 Cu F6 N6 P |
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Calculated formula | C56.629 H54.812 Br Cl0.629 Cu F6 N6 P |
Title of publication | New Heteroleptic Bis-Phenanthroline Copper(I) Complexes with Dipyridophenazine or Imidazole Fused Phenanthroline Ligands: Spectral, Electrochemical, and Quantum Chemical Studies |
Authors of publication | Yann Pellegrin; Martina Sandroni; Errol Blart; Aurélien Planchat; Michel Evain; Narayan C. Bera; Megumi Kayanuma; Michel Sliwa; Mateusz Rebarz; Olivier Poizat; Chantal Daniel; Fabrice Odobel |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 11309 - 11322 |
a | 13.6027 ± 0.0006 Å |
b | 14.2161 ± 0.0014 Å |
c | 15.44 ± 0.0005 Å |
α | 73.945 ± 0.006° |
β | 83.606 ± 0.006° |
γ | 85.364 ± 0.007° |
Cell volume | 2847.5 ± 0.3 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1625 |
Residual factor for significantly intense reflections | 0.1124 |
Weighted residual factors for significantly intense reflections | 0.2534 |
Weighted residual factors for all reflections included in the refinement | 0.2675 |
Goodness-of-fit parameter for significantly intense reflections | 3.7 |
Goodness-of-fit parameter for all reflections included in the refinement | 3.25 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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