Crystallography Open Database

Information card for entry 1549765

Preview

Coordinates	1549765.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Dibromo-bis(pyridine)-cobalt(II)
Formula	C10 H10 Br2 Co N2
Calculated formula	C10 H10 Br2 Co N2
SMILES	Br[Co](Br)([n]1ccccc1)[n]1ccccc1
Title of publication	Between single ion magnets and macromolecules: a polymer/transition metal-based semi-solid solution.
Authors of publication	Majcher, Anna M.; Dąbczyński, Paweł; Marzec, Mateusz M.; Ceglarska, Magdalena; Rysz, Jakub; Bernasik, Andrzej; Ohkoshi, Shin-Ichi; Stefańczyk, Olaf
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	36
Pages of publication	7277 - 7286
a	8.6842 ± 0.001 Å
b	18.1757 ± 0.0018 Å
c	8.5209 ± 0.0008 Å
α	90°
β	100.878 ± 0.007°
γ	90°
Cell volume	1320.8 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.1847
Residual factor for significantly intense reflections	0.1064
Weighted residual factors for significantly intense reflections	0.0813
Weighted residual factors for all reflections included in the refinement	0.0925
Goodness-of-fit parameter for all reflections included in the refinement	1.25
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
228836 (current)	2019-11-17	cif/ Updating files of 1549765, 1549766 Original log message: Adding full bibliography for 1549765--1549766.cif.	1549765.cif
209383	2018-08-04	cif/ Adding structures of 1549765, 1549766 via cif-deposit CGI script.	1549765.cif