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Information card for entry 4074802
Preview
| Coordinates | 4074802.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51 H36 B2 Cl2 F8 N6 O9 P2 Rh4 |
|---|---|
| Calculated formula | C51 H36 B2 Cl2 F8 N6 O9 P2 Rh4 |
| SMILES | [Rh]1([P](Cc2[n]1n1[Rh]([n]3c(c1c2)cccc3)(C#[O])C#[O])(c1ccccc1)c1ccccc1)(C#[O])C#[O].[Rh]1([O]=P(Cc2[n]1n1[Rh]([n]3c(c1c2)cccc3)(C#[O])C#[O])(c1ccccc1)c1ccccc1)(C#[O])C#[O].ClCCl.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-] |
| Title of publication | Synthesis of a Library of Iridium-Containing Dinuclear Complexes with Bridging PNNN and PNNP Ligands (BL), [LM(μ-BL)M'L']BF4. 2. Preparation, Basic Coordination Properties, and Reactivity of the Carbonyl Complexes |
| Authors of publication | Dubs, Christian; Yamamoto, Toshiki; Inagaki, Akiko; Akita, Munetaka |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 6 |
| Pages of publication | 1359 - 1367 |
| a | 9.99 ± 0.004 Å |
| b | 13.054 ± 0.003 Å |
| c | 22.616 ± 0.008 Å |
| α | 90.35 ± 0.02° |
| β | 99.879 ± 0.007° |
| γ | 96.11 ± 0.02° |
| Cell volume | 2888.2 ± 1.7 Å3 |
| Cell temperature | 213 K |
| Ambient diffraction temperature | 213 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0866 |
| Weighted residual factors for all reflections included in the refinement | 0.2329 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.247 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209811 (current) | 2018-08-16 | cif/4/ Updating bibliography in entries 4060871-4060877, 4074800-4074806. Marking entries 4060871-4060877 as duplicates of entries 4074800-4074806. |
4074802.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4074802.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4074802.cif |
| 48834 | 2012-03-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4074802, 4074803, 4074804, 4074805, 4074806 via cif-deposit CGI script. |
4074802.cif |
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