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Information card for entry 4064632
Preview
Coordinates | 4064632.cif |
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Original paper (by DOI) | HTML |
Formula | C25 H38 Mo O P2 |
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Calculated formula | C25 H38 Mo O P2 |
SMILES | C(#Cc1ccccc1)[Mo]1234([c]5([c]4([c]3([c]2([c]15C)C)C)C)C)(C#[O])([P](C)(C)C)[P](C)(C)C |
Title of publication | Synthesis, Redox Chemistry, and Electronic Structure of the Alkynyl Cyclopentadienyl Molybdenum Complexes [Mo(C\τb CR)(CO)(L2)Cp′]n+(n= 0 or 1; R = Ph or C6H4-4-Me, L2= Ph2PCH2CH2PPh2or 2PMe3, Cp′ = Cp or Cp*) |
Authors of publication | Roberts (née Lancashire), Hannah N.; Brown, Neil J.; Edge, Ruth; Lewin, Ross; Collison, David; Low, Paul J.; Whiteley, Mark W. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 14 |
Pages of publication | 3763 |
a | 12.6102 ± 0.0004 Å |
b | 13.4489 ± 0.0005 Å |
c | 16.0881 ± 0.0005 Å |
α | 109.493 ± 0.003° |
β | 100.261 ± 0.003° |
γ | 90.31 ± 0.003° |
Cell volume | 2524.72 ± 0.16 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.067 |
Residual factor for significantly intense reflections | 0.0301 |
Weighted residual factors for significantly intense reflections | 0.0524 |
Weighted residual factors for all reflections included in the refinement | 0.0561 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.787 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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