Crystallography Open Database

Information card for entry 7004966

Preview

Coordinates	7004966.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H67 I N3 O Yb
Calculated formula	C44 H67 I N3 O Yb
Title of publication	Homoleptic lanthanide(II)-bis(guanidinate) complexes, [Ln(Giso)(2)] (Giso = [(ArN)(2)CN(C(6)H(11))(2)](-), Ar = C(6)H(3)Pr(i)(2)-2,6): planar 4-coordinate (Ln = Sm or Eu) vs distorted tetrahedral (Ln = Yb) geometries.
Authors of publication	Heitmann, Dennis; Jones, Cameron; Junk, Peter C.; Lippert, Kai-Alexander; Stasch, Andreas
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	2
Pages of publication	187 - 189
a	11.277 ± 0.002 Å
b	11.998 ± 0.002 Å
c	17.583 ± 0.004 Å
α	76.56 ± 0.03°
β	88.31 ± 0.03°
γ	71.46 ± 0.03°
Cell volume	2191.2 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.051
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0792
Weighted residual factors for all reflections included in the refinement	0.0853
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
179753 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/49.	7004966.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7004966.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7004966.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7004966.cif