Crystallography Open Database

Information card for entry 4335040

Preview

Coordinates	4335040.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H28 Eu N7 O7
Calculated formula	C23 H28 Eu N7 O7
SMILES	c1[n]2c(ccc1)c1[n]3[Eu]452(OC(=[O]4)C)([O]=CN(C)C)(OC(C)=[O]5)([n]2ccccc2c3NC(=O)N1)[O]=CN(C)C
Title of publication	Solvent-Mediated Crystal-to-Crystal Interconversion between Discrete Lanthanide Complexes and One-Dimensional Coordination Polymers and Selective Sensing for Small Molecules
Authors of publication	Jin-Ji Wu; Yu-Xin Ye; Ying-Yu Qiu; Zheng-Ping Qiao; Man-Li Cao; Bao-Hui Ye
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	6450 - 6456
a	16.4951 ± 0.0009 Å
b	12.0236 ± 0.0006 Å
c	15.6395 ± 0.0008 Å
α	90°
β	120.784 ± 0.001°
γ	90°
Cell volume	2664.8 ± 0.2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 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	0.0208
Residual factor for significantly intense reflections	0.0203
Weighted residual factors for significantly intense reflections	0.0532
Weighted residual factors for all reflections included in the refinement	0.0537
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
179453 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/50.	4335040.cif
100944	2014-02-10	cif/ Adding structures of 4335040 via cif-deposit CGI script.	4335040.cif