Crystallography Open Database

Information card for entry 2023300

2023299 << 2023300 >> 2023301

Preview

Coordinates	2023300.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[diaquadiimidazolecobalt(II)]-μ~2~-2,3,5,6-tetrabromobenzene-1,4-dicarboxylato]
Formula	C14 H12 Br4 Co N4 O6
Calculated formula	C14 H12 Br4 Co N4 O6
Title of publication	Crystal structure of catena-poly[[diaquadiimidazolecobalt(II)]-μ2-2,3,5,6-tetrabromobenzene-1,4-dicarboxylato]
Authors of publication	Kumagai, Hitoshi; Kawata, Satoshi; Ogihara, Nobuhiro
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2024
Journal volume	80
Journal issue	11
Pages of publication	1217 - 1220
a	18.805 ± 0.0007 Å
b	12.2925 ± 0.0006 Å
c	10.8938 ± 0.0005 Å
α	90°
β	121.853 ± 0.003°
γ	90°
Cell volume	2138.98 ± 0.18 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0295
Residual factor for significantly intense reflections	0.0275
Weighted residual factors for significantly intense reflections	0.0653
Weighted residual factors for all reflections included in the refinement	0.0665
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
295714 (current)	2024-11-01	cif/ Adding structures of 2023300 via cif-deposit CGI script.	2023300.cif