Crystallography Open Database

Information card for entry 7228204

Preview

Coordinates	7228204.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C109 H98 Cu3 F N4 O3 P6
Calculated formula	C109 H98 Cu3 F N4 O3 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)Nc3ccccc3)cc1)[C]58#Cc1ccc(NC(=O)Nc3ccccc3)cc1)[P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O(CC)CC.[F-]
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	19.431 ± 0.004 Å
b	20.455 ± 0.004 Å
c	25.426 ± 0.005 Å
α	90°
β	91.9 ± 0.03°
γ	90°
Cell volume	10100 ± 3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0916
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.1371
Weighted residual factors for all reflections included in the refinement	0.1536
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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.	7228204.cif