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Information card for entry 4089503
Preview
Coordinates | 4089503.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H22 Cl2 Mo2 O4 |
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Calculated formula | C26 H22 Cl2 Mo2 O4 |
SMILES | c1([c]23[c]4(c(cc1)C)[cH]1[cH]5[cH]2[Mo]23415(C#[O])(C#[O])[Cl][Mo]1345([c]67[c]5(c(ccc6C)C)[cH]4[cH]3[cH]17)(C#[O])(C#[O])[Cl]2)C |
Title of publication | Toward the Synthesis of Indenyl Molybdenum Compound [(η3-Ind)(η5-Cp)Mo(CO)2]: Modified Compounds and Structure of a Previously Unrecognized Intermediate |
Authors of publication | Honzíček, Jan; Vinklárek, Jaromír; Erben, Milan; Lodinský, Jakub; Dostál, Libor; Padělková, Zdeňka |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 12 |
Pages of publication | 3502 |
a | 17.8084 ± 0.0007 Å |
b | 10.783 ± 0.0003 Å |
c | 14.1192 ± 0.0004 Å |
α | 90° |
β | 110.691 ± 0.003° |
γ | 90° |
Cell volume | 2536.4 ± 0.15 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 1 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0246 |
Residual factor for significantly intense reflections | 0.0207 |
Weighted residual factors for significantly intense reflections | 0.0521 |
Weighted residual factors for all reflections included in the refinement | 0.0557 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.15 |
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/4089503.html
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