Crystallography Open Database

Information card for entry 7240027

Preview

Coordinates	7240027.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H54 N8 Ni2 O17 S2
Calculated formula	C60 H54 N8 Ni2 O17 S2
Title of publication	Five naphthalene-amide-bridged Ni(ii) complexes: electrochemistry, bifunctional fluorescence responses, removal of contaminants and optimization by CVD
Authors of publication	Zhao, Jing; Luan, Jian; Yu, Huixuan; Liu, Guocheng; Lin, Hongyan; Wang, Xiuli; Chen, Baokuan
Journal of publication	CrystEngComm
Year of publication	2020
Journal volume	22
Journal issue	8
Pages of publication	1330 - 1339
a	34.36 ± 0.007 Å
b	9.0513 ± 0.0016 Å
c	19.787 ± 0.003 Å
α	90°
β	107.545 ± 0.007°
γ	90°
Cell volume	5867.5 ± 1.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0541
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0842
Weighted residual factors for all reflections included in the refinement	0.0963
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
257443 (current)	2020-10-06	cif/ Updating files of 7240025, 7240026, 7240027, 7240028, 7240029 Original log message: Adding full bibliography for 7240025--7240029.cif.	7240027.cif
248756	2020-03-04	cif/ Adding structures of 7240025, 7240026, 7240027, 7240028, 7240029 via cif-deposit CGI script.	7240027.cif