Crystallography Open Database

Information card for entry 7210313

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Structure parameters

Formula	C42 H42 N4 O8 Yb2
Calculated formula	C42 H42 N4 O8 Yb2
SMILES	c12c(cccc1)C=[N]1CC[N]3=Cc4ccccc4[O]4[Yb]513(O2)([O]1c2c(C=[N]3CC[N]6=Cc7c(cccc7)O[Yb]74136[O]=C(C=C(O7)C)C)cccc2)[O]=C(C=C(O5)C)C
Title of publication	Syntheses, structure and near-infrared (NIR) luminescence of Er2, Yb2, ErYb of homodinuclear and heterodinuclear lanthanide(iii) complexes based on salen ligand
Authors of publication	Gao, Ting; Yang, Yu; Sun, Wen-Bin; Li, Guang-Ming; Hou, Guang-Feng; Yan, Peng-Fei; Li, Ji-Tong; Ding, Dan-Dan
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	31
Pages of publication	6213
a	11.0044 ± 0.0006 Å
b	17.2845 ± 0.0004 Å
c	11.531 ± 0.0004 Å
α	90°
β	104.002 ± 0.004°
γ	90°
Cell volume	2128.09 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.046
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0557
Weighted residual factors for all reflections included in the refinement	0.0642
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
301864 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure.	7210313.cif
180434	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/03.	7210313.cif
87595	2013-08-27	cif/ Adding structures of 7210312, 7210313, 7210314 via cif-deposit CGI script.	7210313.cif