Crystallography Open Database

Information card for entry 7210312

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Structure parameters

Formula	C48 H42 Er2 N6 O6
Calculated formula	C48 H42 Er2 N6 O6
SMILES	c12ccccc1C=[N]1CC[N]3=Cc4ccccc4O[Er]4513([O]1[Er]36789(N4(=Cc4c(cccc4)[O]57)CC[N]6=Cc4ccccc4O8)[N](CC[N]3=Cc3c1cccc3)=Cc1ccccc1O9)O2
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	26.88 ± 0.005 Å
b	19.664 ± 0.004 Å
c	16.83 ± 0.003 Å
α	90°
β	101.88 ± 0.03°
γ	90°
Cell volume	8705 ± 3 Å³
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.054
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.	7210312.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7210312.cif
87595	2013-08-27	cif/ Adding structures of 7210312, 7210313, 7210314 via cif-deposit CGI script.	7210312.cif