Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7101860
Preview
Coordinates | 7101860.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | tetra(rctt-1,2-bis(2-pyridyl)-3,4-bis(3-pyridyl)cyclobutane copper(ii) nitrate) hydrate acetonitrile 1/13.5/1 |
---|---|
Chemical name | tetra[rctt-1,2-bis(2-pyridyl)-3,4-bis(3-pyridyl)cyclobutane copper(II) nitrate] hydrate acetonitrile 1/13.5/1 |
Formula | C98 H118 Cu4 N25 O41.5 |
Calculated formula | C98 H83 Cu4 N25 O41.5 |
Title of publication | Coding a coordination-driven self-assembly via a hydrogen bond-directed solid-state synthesis: an unexpected chiral tetrahedral capsule. |
Authors of publication | Hamilton, Tamara D; Bucar, Dejan-Kresimir; MacGillivray, Leonard R |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2007 |
Journal issue | 16 |
Pages of publication | 1603 - 1604 |
a | 15.1205 ± 0.0015 Å |
b | 16.2501 ± 0.0016 Å |
c | 25.15 ± 0.003 Å |
α | 104.966 ± 0.005° |
β | 100.672 ± 0.005° |
γ | 105.931 ± 0.005° |
Cell volume | 5518.3 ± 1 Å3 |
Cell temperature | 190 ± 1 K |
Ambient diffraction temperature | 190 ± 1 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1234 |
Residual factor for significantly intense reflections | 0.0778 |
Weighted residual factors for significantly intense reflections | 0.214 |
Weighted residual factors for all reflections included in the refinement | 0.2428 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7101860.html
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.