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Information card for entry 2212769
Preview
Coordinates | 2212769.cif |
---|---|
Structure factors | 2212769.hkl |
Original IUCr paper | HTML |
Chemical name | Bis[μ~2~-bis(salicylidene)propane-1,3-diaminato- κ^4^O,N,N',O':κ^2^O,O']bis(μ~2~-nitrato-κO:κO')tricopper(II) |
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Formula | C34 H32 Cu3 N6 O10 |
Calculated formula | C34 H32 Cu3 N6 O10 |
SMILES | C1CC[N]2=Cc3c([O]4[Cu]562[N]1=Cc1c(cccc1)[O]6[Cu]124(ON(=O)=[O][Cu]467[N](=Cc8c(cccc8)[O]16)CCC[N]4=Cc1c([O]27)cccc1)[O]=N(O5)=O)cccc3 |
Title of publication | Bis[μ~2~-bis(salicylidene)propane-1,3-diaminato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':κ^2^<i>O</i>,<i>O</i>']bis(μ~2~-nitrato-κ<i>O</i>:κ<i>O</i>')tricopper(II) |
Authors of publication | Yun-Feng Feng; Hong-Yan Wu; Bao-Lin Zhu; Shu-Rong Wang; Wei-Ping Huang |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 4 |
Pages of publication | m1107 - m1108 |
a | 8.897 ± 0.003 Å |
b | 11.658 ± 0.003 Å |
c | 16.107 ± 0.005 Å |
α | 90° |
β | 101.038 ± 0.005° |
γ | 90° |
Cell volume | 1639.7 ± 0.9 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0585 |
Residual factor for significantly intense reflections | 0.0494 |
Weighted residual factors for significantly intense reflections | 0.091 |
Weighted residual factors for all reflections included in the refinement | 0.0955 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2212769.html
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