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Information card for entry 4340253
Preview
| Coordinates | 4340253.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Mo(Hhpp)2(CO)4 |
|---|---|
| Chemical name | Molybdenum(0) bis(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinate) tetra(carbonyl) |
| Formula | C18 H26 Mo N6 O4 |
| Calculated formula | C18 H26 Mo N6 O4 |
| SMILES | C(#[O])[Mo](C#[O])([N]1CCCN2C=1NCCC2)(C#[O])(C#[O])[N]1CCCN2CCCNC=12 |
| Title of publication | Facilitating access to the most easily ionized molecule: an improved synthesis of the key intermediate, W2(hpp)4Cl2, and related compounds. |
| Authors of publication | Cotton, F. Albert; Donahue, James P.; Gruhn, Nadine E.; Lichtenberger, Dennis L.; Murillo, Carlos A.; Timmons, Daren J.; Van Dorn, Laura O.; Villagrán, Dino; Wang, Xiaoping |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2006 |
| Journal volume | 45 |
| Journal issue | 1 |
| Pages of publication | 201 - 213 |
| a | 7.6716 ± 0.0015 Å |
| b | 16.498 ± 0.003 Å |
| c | 16.824 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2129.3 ± 0.7 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0921 |
| Residual factor for significantly intense reflections | 0.0752 |
| Weighted residual factors for significantly intense reflections | 0.1424 |
| Weighted residual factors for all reflections included in the refinement | 0.1491 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.293 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179505 (current) | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/02. |
4340253.cif |
| 118702 | 2014-06-30 | cif/ Adding structures of 4340248, 4340249, 4340250, 4340251, 4340252, 4340253, 4340254, 4340255 via cif-deposit CGI script. |
4340253.cif |
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Users of the data should acknowledge the original authors of the
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