Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7035954
Preview
Coordinates | 7035954.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H36 B2 F8 Fe2 N8 O10 |
---|---|
Calculated formula | C36 H32 B2 F8 Fe2 N8 O10 |
SMILES | [B](F)(F)(F)[F-].N1[N]2=Cc3ccccc3O[Fe]3452[N](NC(=[O]4)CCC2N[N]4[Fe]67([N](NC(=[O]7)CCC1=[O]3)=Cc1c(O6)cccc1)(Oc1ccccc1C=4)O2)=Cc1c(O5)cccc1.O.[B](F)(F)(F)[F-].O |
Title of publication | A family of Fe(3+) based double-stranded helicates showing a magnetocaloric effect, and Rhodamine B dye and DNA binding activities. |
Authors of publication | Adhikary, Amit; Jena, Himanshu Sekhar; Konar, Sanjit |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 35 |
Pages of publication | 15531 - 15543 |
a | 12.28 ± 0.004 Å |
b | 11.817 ± 0.004 Å |
c | 15.788 ± 0.005 Å |
α | 90° |
β | 108.274 ± 0.008° |
γ | 90° |
Cell volume | 2175.5 ± 1.2 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 7 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/c 1 |
Hall space group symbol | -P 2yc |
Residual factor for all reflections | 0.0935 |
Residual factor for significantly intense reflections | 0.0794 |
Weighted residual factors for significantly intense reflections | 0.2064 |
Weighted residual factors for all reflections included in the refinement | 0.2136 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.162 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
161335 (current) | 2015-10-09 | cif/ Updating files of 7035953, 7035954, 7035955, 7035956 Original log message: Adding full bibliography for 7035953--7035956.cif. |
7035954.cif |
152546 | 2015-07-25 | cif/ Adding structures of 7035953, 7035954, 7035955, 7035956 via cif-deposit CGI script. |
7035954.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.