Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1518383
Preview
Coordinates | 1518383.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H24 F6 N4 Ni0.5 O6 P |
---|---|
Calculated formula | C15 H24 F6 N4 Ni0.5 O6 P |
Title of publication | 3-Picoline mediated self-assembly of M(II)-malonate complexes (M = Ni/Co/Mn/Mg/Zn/Cu) assisted by various weak forces involving lone pair-π, π-π, and anion···π-hole interactions. |
Authors of publication | Mitra, Monojit; Manna, Prankrishna; Bauzá, Antonio; Ballester, Pablo; Seth, Saikat Kumar; Ray Choudhury, Somnath; Frontera, Antonio; Mukhopadhyay, Subrata |
Journal of publication | The journal of physical chemistry. B |
Year of publication | 2014 |
Journal volume | 118 |
Journal issue | 50 |
Pages of publication | 14713 - 14726 |
a | 7.0869 ± 0.0005 Å |
b | 11.5189 ± 0.0008 Å |
c | 13.9132 ± 0.0009 Å |
α | 86.24 ± 0.002° |
β | 76.457 ± 0.002° |
γ | 76.18 ± 0.002° |
Cell volume | 1072.18 ± 0.13 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0447 |
Residual factor for significantly intense reflections | 0.0358 |
Weighted residual factors for significantly intense reflections | 0.0884 |
Weighted residual factors for all reflections included in the refinement | 0.094 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1518383.cif |
131410 | 2015-02-07 | cif/ Updating files of 1518378, 1518379, 1518380, 1518381, 1518382, 1518383 Original log message: Adding full bibliography for 1518378--1518383.cif. |
1518383.cif |
128392 | 2014-12-06 | cif/ Adding structures of 1518383 via cif-deposit CGI script. |
1518383.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.