Crystallography Open Database

Information card for entry 1560702

Preview

Coordinates	1560702.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H36 Cu N6 O10
Calculated formula	C58 H36 Cu N6 O10
SMILES	[O-]C(=O)c1cc(cc(c1)C(=O)O)Oc1ccc(cc1)c1cc(nc(c1)c1ccncc1)c1cc[n](cc1)[Cu]1(OC(=O)c2cc(Oc3ccc(c4cc(nc(c4)c4ccncc4)c4ccncc4)cc3)cc(c2)C(=O)O)OC(=O)c2cc(cc(c2)C(=O)O)Oc2ccc(cc2)c2cc(nc(c2)c2ccncc2)c2cc[n](cc2)[Cu]OC(=O)c2cc(Oc3ccc(c4cc(nc(c4)c4ccncc4)c4cc[n]1cc4)cc3)cc(c2)C(=O)[O-]
Title of publication	Design and construction of diverse structures of coordination polymers: Photocatalytic properties
Authors of publication	Wu, Yu; Lu, Lu; Feng, Jianshen; Li, Yulong; Sun, Yanchun; Ma, Aiqing
Journal of publication	Journal of Solid State Chemistry
Year of publication	2017
Journal volume	245
Pages of publication	213 - 218
a	9.346 ± 0.007 Å
b	10.627 ± 0.008 Å
c	13.27 ± 0.01 Å
α	108.791 ± 0.009°
β	93.295 ± 0.009°
γ	105.981 ± 0.009°
Cell volume	1183.9 ± 1.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0502
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.1044
Weighted residual factors for all reflections included in the refinement	0.1116
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
262268 (current)	2021-02-26	cif/ Adding structures of 1560699, 1560700, 1560701, 1560702 via cif-deposit CGI script.	1560702.cif