Crystallography Open Database

Information card for entry 1560632

Preview

Coordinates	1560632.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H38 Cu N10 O5
Calculated formula	C30 H38 Cu N10 O5
SMILES	c1cn(Cn2c3c(nn2)cccc3)c([n]1[Cu]12(OC(=[O]1)C)([n]1ccn(Cn3c4c(cccc4)nn3)c1CCC)OC(=[O]2)C)CCC.O
Title of publication	Inorganic anion-dependent assembly of zero-, one-, two- and three-dimensional Cu(II)/Ag(I) complexes under the guidance of the HSAB theory: Synthesis, structure, and magnetic property
Authors of publication	Liu, Yaru; Xing, Zhiyan; Zhang, Xiao; Liang, Guorui
Journal of publication	Journal of Solid State Chemistry
Year of publication	2017
Journal volume	246
Pages of publication	48 - 56
a	9.49312 ± 0.00014 Å
b	12.55069 ± 0.00016 Å
c	13.415 ± 0.0002 Å
α	90°
β	95.5687 ± 0.0014°
γ	90°
Cell volume	1590.79 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0354
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0865
Weighted residual factors for all reflections included in the refinement	0.0892
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
262217 (current)	2021-02-25	cif/ Adding structures of 1560632 via cif-deposit CGI script.	1560632.cif