Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7116281
Preview
Coordinates | 7116281.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C80 H72 As2 B Cl6 Cu3 F4 Mo2 O4 P6 |
---|---|
Calculated formula | C80 H72 As2 B Cl6 Cu3 F4 Mo2 O4 P6 |
Title of publication | Organometallic polyphosphorus and -arsenic ligands as linkers between pre-assembled linear Cu(I) fragments. |
Authors of publication | Fleischmann, Martin; Dütsch, Luis; Moussa, Mehdi Elsayed; Schindler, Andrea; Balázs, Gábor; Lescop, Christophe; Scheer, Manfred |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2015 |
Journal volume | 51 |
Journal issue | 14 |
Pages of publication | 2893 |
a | 12.888 ± 0.0002 Å |
b | 43.5784 ± 0.0005 Å |
c | 15.0001 ± 0.0002 Å |
α | 90° |
β | 95.152 ± 0.002° |
γ | 90° |
Cell volume | 8390.6 ± 0.2 Å3 |
Cell temperature | 123 ± 1 K |
Ambient diffraction temperature | 123 ± 1 K |
Number of distinct elements | 10 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0534 |
Residual factor for significantly intense reflections | 0.0465 |
Weighted residual factors for significantly intense reflections | 0.1178 |
Weighted residual factors for all reflections included in the refinement | 0.1214 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180276 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/62. |
7116281.cif |
132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
7116281.cif |
130945 | 2015-02-04 | cif/ Updating files of 7116279, 7116280, 7116281, 7116282, 7116283, 7116284 Original log message: Adding full bibliography for 7116279--7116284.cif. |
7116281.cif |
129369 | 2015-01-06 | cif/ Adding structures of 7116279, 7116280, 7116281, 7116282, 7116283, 7116284 via cif-deposit CGI script. |
7116281.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.