Crystallography Open Database

Information card for entry 1540031

Preview

Coordinates	1540031.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H92 Dy9 N24 O46
Calculated formula	C80 H92 Dy9 N24 O46
SMILES	[Dy]1234567[O]8[Dy]9%10%11%12%13%14[O]%15[Dy]%16%17%18%19([O]%20[Dy]%21%22%23([O]=N(=O)O%21)([OH]%18)([O]%18[Dy]%21%24%25%26([O]%27[Dy]%28%29%30%31([O]%32[Dy]%33%34([O]1%10)([O]%12c1c(C=[N]%34NC=%32N[N]%31=Cc%10c%12[O]%28[Dy]%28%31%27([O]%21=C(N[N]%31=Cc%21cccc(OC)c%21O%28)N[N]%26=Cc%21cccc([O]3C)c%21[O]4%24)([O](c%12ccc%10)C)([O]=CN(C)C)[O]=CN(C)C)cccc1[O]%13C)([O]=N(O%33)=O)([OH]%30)[OH]6)([O]=N(=O)O%29)O%25)([O](c1c%18c(C=[N]%23NC=%20N[N]%19=Cc3c4[O]%16[Dy]6%10%15([O]9=C(N[N]%10=Cc9cccc(OC)c9O6)N[N]%14=Cc6cccc([O]2C)c86)([O](c4ccc3)C)([O]=CN(C)C)[O]=CN(C)C)ccc1)C)[O]5%22)[OH]7)([O]=N(=O)O%17)[OH]%11
Title of publication	Slight synthetic changes eliciting different topologies: synthesis, structure and magnetic properties of novel dinuclear and nonanuclear dysprosium complexes.
Authors of publication	Kuo, Che-Jung; Holmberg, Rebecca J.; Lin, Po-Heng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	46
Pages of publication	19758 - 19762
a	34.8579 ± 0.0012 Å
b	24.5497 ± 0.0009 Å
c	24.2872 ± 0.0009 Å
α	90°
β	120.453 ± 0.003°
γ	90°
Cell volume	17916.6 ± 1.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1063
Residual factor for significantly intense reflections	0.0648
Weighted residual factors for significantly intense reflections	0.1511
Weighted residual factors for all reflections included in the refinement	0.1705
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1540031.cif
171128	2015-12-09	cif/ Updating files of 1540030, 1540031 Original log message: Adding full bibliography for 1540030--1540031.cif.	1540031.cif
169166	2015-10-15	cif/ Adding structures of 1540030, 1540031 via cif-deposit CGI script.	1540031.cif