Crystallography Open Database

Information card for entry 7712222

Preview

Coordinates	7712222.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H54 F6 N6 Ni O10 S2
Calculated formula	C72 H54 F6 N6 Ni O10 S2
Title of publication	Substituents Make a Difference: 6,6’’-modified Terpyridine Complexes with Helix Configuration and Enhanced Emission
Authors of publication	Fu, Fan; Liu, Die; Zhao, Lili; Li, Huili; Bai, Xinyu; Chen, Mingzhao; Jiang, Zhilong; Su, Peiyang; Zhong, Wanying; Li, Yiming; Liao, Wei-Ming; He, Jun; Wang, Pingshan
Journal of publication	Dalton Transactions
Year of publication	2023
a	20.003 ± 0.0014 Å
b	19.9002 ± 0.0011 Å
c	17.2847 ± 0.0011 Å
α	90°
β	105.098 ± 0.007°
γ	90°
Cell volume	6642.9 ± 0.8 Å³
Cell temperature	120 ± 0.2 K
Ambient diffraction temperature	120 ± 0.2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2032
Residual factor for significantly intense reflections	0.0933
Weighted residual factors for significantly intense reflections	0.1899
Weighted residual factors for all reflections included in the refinement	0.261
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
280683 (current)	2023-01-31	cif/ Adding structures of 7712221, 7712222, 7712223, 7712224 via cif-deposit CGI script.	7712222.cif