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Information card for entry 1552860
Preview
Coordinates | 1552860.cif |
---|---|
Structure factors | 1552860.hkl |
Original IUCr paper | HTML |
Chemical name | Tetracarbonyl-2κ^4^<i>C</i>-[μ-5-methyl-1,1,3-triphenyl-2-(propan-2-yl)-2,4-diaza-1,3-diphosphahexan-4-ido-1κ<i>N</i>^4^:2κ<i>P</i>^1^,<i>P</i>^3^](<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethane-1,2-diamine-1κ^2^<i>N</i>,<i>N</i>')lithiummolybdenum |
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Formula | C34 H45 Li Mo N4 O4 P2 |
Calculated formula | C34 H45 Li Mo N4 O4 P2 |
SMILES | C([Mo]1(C#[O])(C#[O])(C#[O])[P](c2ccccc2)(c2ccccc2)N(C(C)C)[P]1(c1ccccc1)N(C(C)C)[Li]1[N](CC[N]1(C)C)(C)C)#[O] |
Title of publication | Tetracarbonyl-2κ^4^<i>C</i>-[μ-5-methyl-1,1,3-triphenyl-2-(propan-2-yl)-2,4-diaza-1,3-diphosphahexan-4-ido-1κ<i>N</i>^4^:2κ<i>P</i>^1^,<i>P</i>^3^](<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethane-1,2-diamine-1κ^2^<i>N</i>,<i>N</i>')lithiummolybdenum |
Authors of publication | Höhne, Martha; Spannenberg, Anke; Müller, Bernd H.; Peulecke, Normen; Rosenthal, Uwe |
Journal of publication | IUCrData |
Year of publication | 2018 |
Journal volume | 3 |
Journal issue | 8 |
Pages of publication | x181149 |
a | 11.7633 ± 0.0004 Å |
b | 12.5731 ± 0.0004 Å |
c | 13.7249 ± 0.0004 Å |
α | 87.283 ± 0.002° |
β | 75.537 ± 0.002° |
γ | 67.45 ± 0.002° |
Cell volume | 1812.66 ± 0.1 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0266 |
Residual factor for significantly intense reflections | 0.0226 |
Weighted residual factors for significantly intense reflections | 0.0597 |
Weighted residual factors for all reflections included in the refinement | 0.0605 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1552860.html
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