Crystallography Open Database

Information card for entry 7222370

Preview

Coordinates	7222370.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H92 Cu2 N4 O18
Calculated formula	C96 H92 Cu2 N4 O18
SMILES	c12C(CCC(=O)O[Cu]3([n]4ccccc4)([n]4ccccc4)[O](C(=O)CCC4(c5ccccc5c5c4cccc5)CCC(=O)O)[Cu]([n]4ccccc4)([n]4ccccc4)(OC(=O)CCC4(c5ccccc5c5c4cccc5)CCC(=O)O)[O]3C(=O)CCC3(c4ccccc4c4c3cccc4)CCC(=O)O)(c3ccccc3c2cccc1)CCC(=O)O.O.O
Title of publication	pH-Dependent supramolecular self-assemblies of copper(ii) (fluorene-9,9-diyl)dipropanoic acid complexes
Authors of publication	Feng, Fu; Song, Nan-Nan; Hu, Wei-Bing; Tu, Hai-Yang; Meng, Xiang-Gao; Zhang, Ai-Dong
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	43
Pages of publication	8216
a	10.5945 ± 0.0016 Å
b	12.9146 ± 0.0019 Å
c	15.642 ± 0.002 Å
α	91.073 ± 0.002°
β	94.126 ± 0.002°
γ	93.942 ± 0.002°
Cell volume	2129 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0796
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1391
Weighted residual factors for all reflections included in the refinement	0.1754
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
171062 (current)	2015-12-09	cif/ Updating files of 7222369, 7222370, 7222371, 7222372, 7222373 Original log message: Adding full bibliography for 7222369--7222373.cif.	7222370.cif
159074	2015-10-01	cif/ Adding structures of 7222369, 7222370, 7222371, 7222372, 7222373 via cif-deposit CGI script.	7222370.cif