Crystallography Open Database

Information card for entry 7712224

Preview

Coordinates	7712224.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H54 Co F12 N6 O4 P2
Calculated formula	C70 H54 Co F12 N6 O4 P2
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	18.2116 ± 0.0005 Å
b	24.532 ± 0.0006 Å
c	15.6483 ± 0.0004 Å
α	90°
β	105.614 ± 0.003°
γ	90°
Cell volume	6733.1 ± 0.3 Å³
Cell temperature	99.99 ± 0.11 K
Ambient diffraction temperature	99.99 ± 0.11 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	0.1165
Residual factor for significantly intense reflections	0.1031
Weighted residual factors for significantly intense reflections	0.1947
Weighted residual factors for all reflections included in the refinement	0.2014
Goodness-of-fit parameter for all reflections included in the refinement	1.161
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.	7712224.cif