Crystallography Open Database

Information card for entry 7022008

7022007 << 7022008 >> 7022009

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Structure parameters

Formula	C54 H69 N6 Yb
Calculated formula	C54 H69 N6 Yb
SMILES	c1(c(cccc1C(C)C)C(C)C)N1c2[n](c(ccc2)C)[Yb]231(N(c1c(cccc1C(C)C)C(C)C)c1[n]2c(ccc1)C)N(c1c(cccc1C(C)C)C(C)C)c1[n]3c(ccc1)C
Title of publication	Divalent europium and ytterbium complexes supported by a bulky 2-pyridyl amido ligand: synthesis, structure and reactivity studies.
Authors of publication	Ku, Ka Wai; Au, Chi Wai; Chan, Hoi-Shan; Lee, Hung Kay
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	8
Pages of publication	2841 - 2852
a	12.576 ± 0.002 Å
b	12.576 ± 0.002 Å
c	18.465 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	2529.1 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.067
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1525
Weighted residual factors for all reflections included in the refinement	0.1577
Goodness-of-fit parameter for all reflections included in the refinement	1.219
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
301848 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure.	7022008.cif
179925	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/20.	7022008.cif
89943	2013-11-17	cif/ Adding structures of 7022002, 7022003, 7022004, 7022005, 7022006, 7022007, 7022008 via cif-deposit CGI script.	7022008.cif