Crystallography Open Database

Information card for entry 7228203

Preview

Coordinates	7228203.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C113 H106 B Cl2 Cu3 F4 N4 O4 P6
Calculated formula	C113 H106 B Cl2 Cu3 F4 N4 O4 P6
SMILES	[Cu]12345[Cu]678([Cu]1([P](C[P]6(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](C[P]3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([C]47#Cc1ccc(NC(=O)Nc3ccc(Cl)cc3)cc1)[C]58#Cc1ccc(NC(=O)Nc3ccc(Cl)cc3)cc1)[P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].O(CC)CC.O(CC)CC
Title of publication	Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures
Authors of publication	Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi
Journal of publication	CrystEngComm
Year of publication	2017
Journal volume	19
Journal issue	17
Pages of publication	2349
a	13.946 ± 0.003 Å
b	14.296 ± 0.003 Å
c	26.749 ± 0.005 Å
α	81.29 ± 0.03°
β	77.99 ± 0.03°
γ	81.78 ± 0.03°
Cell volume	5121.7 ± 1.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0558
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.1029
Weighted residual factors for all reflections included in the refinement	0.1147
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
196235 (current)	2017-05-05	cif/ Adding structures of 7228203, 7228204, 7228205, 7228206, 7228207, 7228208, 7228209, 7228210 via cif-deposit CGI script.	7228203.cif