Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4078604
Preview
| Coordinates | 4078604.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C74 H84 Co6 N10 Ni22 O36 |
|---|---|
| Calculated formula | C74 H84 Co6 N10 Ni22 O36 |
| Title of publication | Bimetallic Nickel‒Cobalt Hexacarbido Carbonyl Clusters [H6‒nNi22Co6C6(CO)36]n−(n= 3‒6) Possessing Polyhydride Nature and Their Base-Induced Degradation to the Monoacetylide [Ni9CoC2(CO)16‒x]3‒(x= 0, 1) |
| Authors of publication | Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 12 |
| Pages of publication | 4593 |
| a | 14.578 ± 0.003 Å |
| b | 14.582 ± 0.003 Å |
| c | 15.213 ± 0.004 Å |
| α | 62.964 ± 0.003° |
| β | 63.929 ± 0.003° |
| γ | 87.386 ± 0.003° |
| Cell volume | 2538.9 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1151 |
| Residual factor for significantly intense reflections | 0.0885 |
| Weighted residual factors for significantly intense reflections | 0.2461 |
| Weighted residual factors for all reflections included in the refinement | 0.2653 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178675 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/86. |
4078604.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4078604.cif |
| 62438 | 2012-07-07 | cif/ Adding structures of 4078603, 4078604, 4078605, 4078606, 4078607, 4078608 via cif-deposit CGI script. |
4078604.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.