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Information card for entry 7032072
Preview
Coordinates | 7032072.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C84 H94 B4 F16 Mo4 N10 O8 P4 |
---|---|
Calculated formula | C84 H94 B4 F16 Mo4 N10 O8 P4 |
SMILES | [B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[N](#CCC)[Mo]123[O]=C4O[Mo]3([N]#CCC)([O]=C(C3(CCC3)C3=[O][Mo]56([N]#CCC)OC(C74CCC7)=[O][Mo]6([N]#CCC)(O3)[P](N[P]5(c3ccccc3)c3ccccc3)(c3ccccc3)c3ccccc3)O1)[P](c1ccccc1)(N[P]2(c1ccccc1)c1ccccc1)c1ccccc1.N#CCC.N#CCC.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].N#CCC.N#CCC |
Title of publication | Loop shaped dicarboxylate-bridged dimolybdenum(ii) bisphosphine compounds - a rational synthesis. |
Authors of publication | Höhne, Dominik; Herdtweck, Eberhardt; Pöthig, Alexander; Kühn, Fritz E |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 41 |
Pages of publication | 15367 - 15374 |
a | 18.183 ± 0.002 Å |
b | 15.535 ± 0.002 Å |
c | 18.873 ± 0.002 Å |
α | 90° |
β | 116.427 ± 0.003° |
γ | 90° |
Cell volume | 4774 ± 1 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 8 |
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 | 0.0389 |
Residual factor for significantly intense reflections | 0.0361 |
Weighted residual factors for significantly intense reflections | 0.1008 |
Weighted residual factors for all reflections included in the refinement | 0.1036 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation probe | x-ray |
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/7032072.html
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Users of the data should acknowledge the original authors of the
structural data.