Crystallography Open Database

Information card for entry 7228207

Preview

Coordinates	7228207.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C105 H86 Cu3 F N6 O6 P6
Calculated formula	C105 H86 Cu3 F N6 O6 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(N(=O)=O)cc3)cc1)[C]58#Cc1ccc(NC(=O)Nc3ccc(N(=O)=O)cc3)cc1)[P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[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	17.551 ± 0.004 Å
b	30.505 ± 0.006 Å
c	19.142 ± 0.004 Å
α	90°
β	94.84 ± 0.03°
γ	90°
Cell volume	10212 ± 4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0965
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1195
Weighted residual factors for all reflections included in the refinement	0.1453
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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.	7228207.cif