Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7214606
Preview
| Coordinates | 7214606.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C138 H160 Cl10 N32 O20 Pd5 |
|---|---|
| Calculated formula | C138 H160 Cl10 N32 O20 Pd5 |
| SMILES | c12c(c(c(C)cc2C)Cn2cc[n](c2)[Pd]2([n]3ccn(Cc4c(c(c(cc4C)C)Cn4cc[n](c4)[Pd]([n]4ccn(C1)c4)(Cl)Cl)C)c3)[n]1ccn(Cc3c(c(c(cc3C)C)Cn3cc[n](c3)[Pd]([n]3ccn(Cc4c(c(c(cc4C)C)Cn4cc[n]2c4)C)c3)(Cl)Cl)C)c1)C.OC.O.O.O.O.O.O.O.O.c1cn2Cc3c(c(c(cc3C)C)Cn3cc[n](c3)[Pd]34[n]5ccn(Cc6c(c(c(cc6C)C)Cn6cc[n]([Pd]([n]7ccn(c7)Cc7c(c(c(cc7C)C)Cn7cc[n]3c7)C)([n]1c2)[n]1ccn(Cc2c(c(c(cc2C)C)Cn2cc[n]4c2)C)c1)c6)C)c5)C.[Cl-].[Cl-].[Cl-].O.OC.O.O.O.O.O.O.O.O.[Cl-].[Cl-].[Cl-].O |
| Title of publication | (M3L4 + M2L4): a unique example of a co-crystal containing M3L4 and M2L4 metallocages |
| Authors of publication | Ma, Chunhua; Wang, Jintao; Zhao, Lin; Shi, Yueqin; Luo, Wenping; Yan, Yawkai; Fang, Min; Wang, Xiujian; Liu, Hong-Ke |
| Journal of publication | CrystEngComm |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 47 |
| Pages of publication | 10311 |
| a | 12.418 ± 0.003 Å |
| b | 16.869 ± 0.003 Å |
| c | 20.201 ± 0.004 Å |
| α | 101.395 ± 0.004° |
| β | 101.351 ± 0.004° |
| γ | 96.407 ± 0.004° |
| Cell volume | 4017 ± 1.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.155 |
| Residual factor for significantly intense reflections | 0.0724 |
| Weighted residual factors for significantly intense reflections | 0.1932 |
| Weighted residual factors for all reflections included in the refinement | 0.249 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.935 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180477 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/46. |
7214606.cif |
| 110320 | 2014-04-18 | cif/ Adding structures of 7214606 via cif-deposit CGI script. |
7214606.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.