Crystallography Open Database

Information card for entry 7705546

Preview

Coordinates	7705546.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C109 H90 Cl8 Cu2 N6 O8 P4
Calculated formula	C106 H84 Cl2 Cu2 N6 O8 P4
Title of publication	Terahertz time-domain absorption spectra of Cu(I) complexes bearing tetraphosphine ligands: the bridge between the C-Hπ and ππ interactions and photoluminescence properties.
Authors of publication	Pan, Xun; Kuang, Xiao-Nan; Zhu, Ning; Wang, Guo; Yang, Yu-Ping; Liu, Jian-Ming; Li, Zhong-Feng; Xin, Xiu-Lan; Han, Hong-Liang; Jin, Qiong-Hua; Ren, Zhi-Gang; Zhang, Jiang-Wei
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	42
Pages of publication	14941 - 14950
a	13.6176 ± 0.0003 Å
b	13.8696 ± 0.00018 Å
c	16.3807 ± 0.0002 Å
α	71.4901 ± 0.0012°
β	65.5328 ± 0.0015°
γ	64.5233 ± 0.0015°
Cell volume	2505.37 ± 0.08 Å³
Cell temperature	100.01 K
Ambient diffraction temperature	100.01 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0409
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.105
Weighted residual factors for all reflections included in the refinement	0.1067
Goodness-of-fit parameter for all reflections included in the refinement	1.0324
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
258813 (current)	2020-11-06	cif/ Updating files of 7705544, 7705545, 7705546, 7705547 Original log message: Adding full bibliography for 7705544--7705547.cif.	7705546.cif
256878	2020-10-01	cif/ Adding structures of 7705544, 7705545, 7705546, 7705547 via cif-deposit CGI script.	7705546.cif