Crystallography Open Database

Information card for entry 4308113

Preview

Coordinates	4308113.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H82 Cl N6 O4 P2 Yb
Calculated formula	C42 H82 Cl N6 O4 P2 Yb
SMILES	[Yb](Cl)(Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)(Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)([O]=P(N(C)C)(N(C)C)N(C)C)[O]=P(N(C)C)(N(C)C)N(C)C
Title of publication	Synthesis, Reactivity, and Structural Characterization of Sodium and Ytterbium Complexes Containing New Imidazolidine-Bridged Bis(phenolato) Ligands
Authors of publication	Xiaoping Xu; Yingming Yao; Yong Zhang; Qi Shen
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	3743 - 3751
a	32.547 ± 0.002 Å
b	18.155 ± 0.0008 Å
c	16.7632 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	9905.2 ± 1 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	7
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0506
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.0792
Weighted residual factors for all reflections included in the refinement	0.0822
Goodness-of-fit parameter for all reflections included in the refinement	1.225
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4308113.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308113.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308113.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4308113.cif