Crystallography Open Database

Information card for entry 7241176

Preview

Coordinates	7241176.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H32 N8 O4 Zn2
Calculated formula	C55 H32 N8 O14 Zn2
SMILES	[Zn]1234Oc5cccc6c5[n]2c(cc6)c2n(Cc5[n]3c3c(cccc3O1)cc5)c1c([n]2[Zn]235Oc6cccc7ccc([n]3c67)Cn3c6c([n]4c3c3[n]5c4c(O2)cccc4cc3)cccc6)cccc1.OC.OC.OC.O.O.O.O.O.O.O
Title of publication	Synthesis, characterization and computational studies of Zn complex based on the 8-hydroxyquinoline group containing benzimidazole
Authors of publication	Li, Shanji; Wen, Huawen; Yuan, Ningning; Xie, Pengbo; Qin, Jinlan; Wang, Zhengfang
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	54
Pages of publication	32490 - 32496
a	11.4106 ± 0.0003 Å
b	12.2137 ± 0.0003 Å
c	20.5158 ± 0.0006 Å
α	87.203 ± 0.002°
β	76.153 ± 0.002°
γ	70.627 ± 0.002°
Cell volume	2617.46 ± 0.13 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0841
Residual factor for significantly intense reflections	0.0673
Weighted residual factors for significantly intense reflections	0.1809
Weighted residual factors for all reflections included in the refinement	0.1992
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
258131 (current)	2020-10-06	cif/ Updating files of 7241176, 7241177 Original log message: Adding full bibliography for 7241176--7241177.cif.	7241176.cif
255822	2020-09-03	cif/ Adding structures of 7241176, 7241177 via cif-deposit CGI script.	7241176.cif