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Information card for entry 7000520
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Coordinates | 7000520.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (Co2I4(DMF)2(dppcb)) |
---|---|
Chemical name | [Co2I4(DMF)2(dppcb)] |
Formula | C64 H72 Co2 I4 N4 O4 P4 |
Calculated formula | C64 H72 Co2 I4 N4 O4 P4 |
SMILES | C12C([P](c3ccccc3)(c3ccccc3)[Co](I)(I)([O]=CN(C)C)[P]1(c1ccccc1)c1ccccc1)C1C2[P](c2ccccc2)(c2ccccc2)[Co](I)(I)([O]=CN(C)C)[P]1(c1ccccc1)c1ccccc1.C(=O)N(C)C.C(=O)N(C)C |
Title of publication | Regio- and chemoselective oxidation of the bis(bidentate) phosphine cis,trans,cis-1,2,3,4-tetrakis(diphenylphosphino)cyclobutane via cobalt(II) mediated dioxygen activation |
Authors of publication | Fessler, Markus; Eller, Sylvia; Bachmann, Christian; Gutmann, Rene; Trettenbrein, Barbara; Kopacka, Holger; Mueller, Thomas; Brueggeller, Peter |
Journal of publication | Dalton Transactions |
Year of publication | 2009 |
Journal issue | 8 |
Pages of publication | 1383 |
a | 11.044 ± 0.002 Å |
b | 12.524 ± 0.003 Å |
c | 14.806 ± 0.003 Å |
α | 96.75 ± 0.01° |
β | 107.05 ± 0.01° |
γ | 115.21 ± 0.01° |
Cell volume | 1700.4 ± 0.7 Å3 |
Cell temperature | 213 ± 2 K |
Ambient diffraction temperature | 213 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0477 |
Residual factor for significantly intense reflections | 0.0397 |
Weighted residual factors for significantly intense reflections | 0.1118 |
Weighted residual factors for all reflections included in the refinement | 0.1288 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
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/7000520.html
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Users of the data should acknowledge the original authors of the
structural data.