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Information card for entry 4330549
Preview
Coordinates | 4330549.cif |
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Original paper (by DOI) | HTML |
Formula | C32 H26 Cl Ir N4 |
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Calculated formula | C32 H26 Cl Ir N4 |
SMILES | [Ir]12(Cl)([n]3ccccc3c3ccccc13)([n]1ccccc1c1ccccc21)[n]1[nH]c(cc1C)c1ccccc1 |
Title of publication | Cyclometalated Iridium(III) Complexes Containing Hydroxide/Chloride Ligands: Isolation of Heterobridged Dinuclear Iridium(III) Compounds Containing μ-OH and μ-Pyrazole Ligands |
Authors of publication | Vadapalli Chandrasekhar; Bani Mahanti; Priyanka Bandipalli; Kotamarthi Bhanuprakash |
Journal of publication | Inorganic Chemistry |
Year of publication | 2012 |
Journal volume | 51 |
Pages of publication | 10536 - 10547 |
a | 8.2 Å |
b | 12.309 Å |
c | 13.904 Å |
α | 90.63° |
β | 93.86° |
γ | 109.13° |
Cell volume | 1322.06 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.041 |
Residual factor for significantly intense reflections | 0.0347 |
Weighted residual factors for significantly intense reflections | 0.0776 |
Weighted residual factors for all reflections included in the refinement | 0.0814 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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