Crystallography Open Database

Information card for entry 7711649

Preview

Coordinates	7711649.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H48 Br4 N24 Ni2 O15
Calculated formula	C57 H48 Br4 N24 Ni2 O15
Title of publication	The explanation of abnormal thermal quenching of the charge transfer band based on thermally coupled levels and applications as temperature sensing probes.
Authors of publication	Wang, Junbei; Zhou, Xianju; Xiang, Guotao; Jiang, Sha; Li, Li; Wang, Yongjie; Li, Yanhong; Jing, Chuan; Yao, Lu; Yang, Hongmei; Huang, Yanhao; Wang, Feng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
a	20.3724 ± 0.0017 Å
b	10.6925 ± 0.0009 Å
c	15.743 ± 0.0013 Å
α	90°
β	95.85 ± 0.002°
γ	90°
Cell volume	3411.5 ± 0.5 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 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	0.0584
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for all reflections	0.0659
Weighted residual factors for significantly intense reflections	0.0624
Weighted residual factors for all reflections included in the refinement	0.0624
Goodness-of-fit parameter for all reflections included in the refinement	1
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
278891 (current)	2022-11-01	cif/ Adding structures of 7711649, 7711650, 7711651, 7711652, 7711653, 7711654 via cif-deposit CGI script.	7711649.cif