Crystallography Open Database

Information card for entry 4111165

Preview

Coordinates	4111165.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[LZn2Gd(OAc)3] 2.8MeOH CHCl3 0.5H2O
Formula	C37.8 H48.2 Cl3 Gd N4 O19.3 Zn2
Calculated formula	C37.8 H47.2 Cl3 Gd N4 O19.3 Zn2
Title of publication	Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes
Authors of publication	Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	15765 - 15774
a	35.27 ± 0.01 Å
b	13.185 ± 0.003 Å
c	23.448 ± 0.007 Å
α	90°
β	121.68 ± 0.0011°
γ	90°
Cell volume	9279 ± 4 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.059
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.0924
Weighted residual factors for all reflections included in the refinement	0.0974
Goodness-of-fit parameter for all reflections included in the refinement	1.116
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4111165.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111165.cif
60690	2012-06-18	cif/ Adding structures of 4111165 via cif-deposit CGI script.	4111165.cif