Crystallography Open Database

Information card for entry 1562568

Preview

Coordinates	1562568.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H26 Br2 Co N4 O4
Calculated formula	C32 H26 Br2 Co N4 O4
SMILES	[Co]12([n]3c4c(n(CCCCn5c6c([n]([Co]78([O]=C(O8)c8ccc(Br)cc8)[O]=C(O7)c7ccc(Br)cc7)c5)cccc6)c3)cccc4)([O]=C(O1)c1ccc(Br)cc1)([n]1c3c(n(CCCCn4c5c(nc4)cccc5)c1)cccc3)[O]=C(O2)c1ccc(Br)cc1
Title of publication	Aromatic carboxylate effect on dimensionality of three bis(benzimidazole)-based cobalt(II) coordination polymers: Syntheses, structures and properties
Authors of publication	Zhang, Ju-Wen; Gong, Chun-Hua; Hou, Li-Li; Tian, Ai-Xiang; Wang, Xiu-Li
Journal of publication	Journal of Solid State Chemistry
Year of publication	2013
Journal volume	205
Pages of publication	104 - 109
a	25.419 ± 0.003 Å
b	10.6458 ± 0.0013 Å
c	11.62 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	3144.4 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1243
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.1104
Weighted residual factors for all reflections included in the refinement	0.1367
Goodness-of-fit parameter for all reflections included in the refinement	0.976
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
265259 (current)	2021-05-17	cif/ Adding structures of 1562568, 1562569, 1562570 via cif-deposit CGI script.	1562568.cif