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Information card for entry 7021697
Preview
Coordinates | 7021697.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C98 H78 As2 Cu2 N10 O12 |
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Calculated formula | C98 H78 As2 Cu2 N10 O12 |
SMILES | [Cu]123[n]4c(C)ccc5c4c4[n]1c(ccc4cc5)CCCc1[n]4[Cu]5([n]6c(CCCc7[n]3c3c8[n]2c(C)ccc8ccc3cc7)ccc2c6c3[n]5c(ccc3cc2)C)[n]2c3c4c(cc1)ccc3ccc2C.[As]123(Oc4ccccc4O1)(Oc1ccccc1O2)Oc1ccccc1O3.[As]123(Oc4ccccc4O1)(Oc1ccccc1O2)Oc1ccccc1O3.N#CC.N#CC |
Title of publication | Resolution and characterization of helicate dimer and trimer complexes of 1,3-bis(9-methyl-1,10-phenanthrolin-2-yl)propane with copper(i). |
Authors of publication | Lemus, Luis; Guerrero, Juan; Costamagna, Juan; Lorca, Romina; Jara, Danilo H.; Ferraudi, Guillermo; Oliver, Allen; Lappin, A. Graham |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2013 |
Journal volume | 42 |
Journal issue | 32 |
Pages of publication | 11426 - 11435 |
a | 17.1177 ± 0.0006 Å |
b | 17.4161 ± 0.0006 Å |
c | 28.77 ± 0.0009 Å |
α | 90° |
β | 90.228 ± 0.002° |
γ | 90° |
Cell volume | 8576.9 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1267 |
Residual factor for significantly intense reflections | 0.0791 |
Weighted residual factors for significantly intense reflections | 0.2007 |
Weighted residual factors for all reflections included in the refinement | 0.2312 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7021697.html
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