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Information card for entry 2232683
Preview
Coordinates | 2232683.cif |
---|---|
Structure factors | 2232683.hkl |
Original IUCr paper | HTML |
Chemical name | Bis[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')chloridocopper(II)] bis(μ-2,6-pyridinedicarboxylato)- κ^4^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^6^; κ^4^<i>O</i>^2^:<i>O</i>^2^,<i>N</i>,<i>O</i>^6^- bis[aquadichloridobismuthate(III)] pentahydrate |
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Formula | C54 H52 Bi2 Cl6 Cu2 N10 O15 |
Calculated formula | C54 H52 Bi2 Cl6 Cu2 N10 O15 |
SMILES | Cl[Cu]12([n]3ccccc3c3[n]2cccc3)[n]2ccccc2c2[n]1cccc2.O=C1O[Bi]2([OH2])([n]3c1cccc3C(=O)O2)(Cl)Cl.O.O.O |
Title of publication | Bis[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')chloridocopper(II)] bis(μ-2,6-pyridinedicarboxylato)-κ^4^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^6^;κ^4^<i>O</i>^2^:<i>O</i>^2^,<i>N</i>,<i>O</i>^6^-bis[aquadichloridobismuthate(III)] pentahydrate |
Authors of publication | Wang, Hong-Wei; Liu, Wan-Lan; Feng, Yu-Quan |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 12 |
Pages of publication | m1651 |
a | 22.88 ± 0.006 Å |
b | 22.044 ± 0.006 Å |
c | 13.628 ± 0.004 Å |
α | 90° |
β | 110.13 ± 0.004° |
γ | 90° |
Cell volume | 6454 ± 3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0313 |
Residual factor for significantly intense reflections | 0.0248 |
Weighted residual factors for significantly intense reflections | 0.0598 |
Weighted residual factors for all reflections included in the refinement | 0.0631 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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