Crystallography Open Database

Information card for entry 4064505

Preview

Coordinates	4064505.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26.33 H27.33 F6 Ge N3 O2.67 Sb
Calculated formula	C26.3333 H27.3333 F6 Ge N3 O2.66667 Sb
SMILES	[Ge]1([N]2=C(C(C)=C3N1[C@H](CO3)c1ccccc1)OC[C@@H]2c1ccccc1)[n]1ccccc1.O(CCOC)C.[F-][Sb](F)(F)(F)(F)F
Title of publication	Lewis Base Complexes of an Enantiomeric Germanium(II) Cation Bearing a Bis(oxazoline) Ligand
Authors of publication	Arii, Hidekazu; Nakadate, Fumiya; Mochida, Kunio; Kawashima, Takayuki
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	17
Pages of publication	4471
a	10.972 ± 0.003 Å
b	20.684 ± 0.006 Å
c	37.963 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	8616 ± 4 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0581
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.0823
Weighted residual factors for all reflections included in the refinement	0.0887
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
178539 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/45.	4064505.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064505.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064505.cif
32931	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4064502, 4064503, 4064504, 4064505, 4064506 via cif-deposit CGI script.	4064505.cif