Crystallography Open Database

Information card for entry 4302146

Preview

Coordinates	4302146.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H40 N20 O27 Re3 Yb
Calculated formula	C30 H30 N20 O25 Re3 Yb
Title of publication	Lanthanide Complexes with Cucurbit[n]urils (n= 5, 6, 7) and Perrhenate Ligands: New Examples of Encapsulation of Perrhenate Anions
Authors of publication	Pierre Thuéry
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	4497 - 4513
a	13.6207 ± 0.0013 Å
b	19.3081 ± 0.0014 Å
c	20.788 ± 0.002 Å
α	107.076 ± 0.006°
β	93.389 ± 0.005°
γ	90.37 ± 0.006°
Cell volume	5215.3 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1401
Residual factor for significantly intense reflections	0.0944
Weighted residual factors for significantly intense reflections	0.265
Weighted residual factors for all reflections included in the refinement	0.2861
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
179059 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/21.	4302146.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4302146.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4302146.cif
1054	2010-03-28	cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing.	4302146.cif