Crystallography Open Database

Information card for entry 1569036

Preview

Coordinates	1569036.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 Br4 Co N4 O8
Calculated formula	C12 H12 Br4 Co N4 O8
SMILES	[Co](ON(=O)=O)([OH]C)(ON(=O)=O)([OH]C)[n]1cc(Br)c(c(Br)c1)c2c(Br)c[n](cc2Br)[Co](ON(=O)=O)([OH]C)(ON(=O)=O)([OH]C)[n]1cc(Br)c(c(Br)c1)c2c(Br)cncc2Br
Title of publication	Crystal Structures of 3,3′,5,5′-Tetrabromo-4,4′-bipyridine and Co(II) Coordination Polymer Based Thereon
Authors of publication	Sakhapov, Ilyas F.; Zagidullin, Almaz A.; Dobrynin, Alexey B.; Litvinov, Igor A.; Yakhvarov, Dmitry G.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Fedin, Vladimir P.; Adonin, Sergey A.
Journal of publication	Crystals
Year of publication	2023
Journal volume	13
Journal issue	4
Pages of publication	704
a	18.3716 ± 0.001 Å
b	11.4111 ± 0.0006 Å
c	13.2287 ± 0.0012 Å
α	90°
β	132.282 ± 0.002°
γ	90°
Cell volume	2051.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0433
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.0758
Weighted residual factors for all reflections included in the refinement	0.079
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283521 (current)	2023-05-05	cif/ Adding structures of 1569036 via cif-deposit CGI script.	1569036.cif