Crystallography Open Database

Information card for entry 1507923

Preview

Coordinates	1507923.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H32 N7 Nd O13
Calculated formula	C23 H32 N7 Nd O13
SMILES	[Nd]12345([O]=C(c6ccccc6[O]1CC(N(C(C)C)C(C)C)=[O]2)NCc1ccccn1)([O]=N(=O)O3)(ON(=O)=[O]4)(ON(=[O]5)=O)[OH2].C(#N)C
Title of publication	Synthesis, crystal structures and luminescence properties of lanthanide complexes with a tridentate salicylamide-type ligand
Authors of publication	Guo, Yuan-Yuan; Lu, Zheng-Dan; Tang, Xiao-Liang; Dou, Wei; Qin, Wen-Wu; Wu, Jiang; Yang, Li-Zi; Zhang, Guo-Lin; Liu, Wei-Sheng; Ru, Jia-Xi
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	391
Pages of publication	182 - 188
a	11.8491 ± 0.0003 Å
b	17.813 ± 0.0005 Å
c	15.8684 ± 0.0004 Å
α	90°
β	104.718 ± 0.001°
γ	90°
Cell volume	3239.41 ± 0.15 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0837
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.0675
Weighted residual factors for all reflections included in the refinement	0.0767
Goodness-of-fit parameter for all reflections included in the refinement	1.176
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1507923.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507923.cif
62469	2012-07-09	cif/ Adding structures of 1507923 via cif-deposit CGI script.	1507923.cif