Crystallography Open Database

Information card for entry 4109891

Preview

Coordinates	4109891.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H34 N7 O11 Tm
Calculated formula	C36 H30 N7 O11 Tm
Title of publication	The Lanthanide Contraction Revisited
Authors of publication	Michael Seitz; Allen G. Oliver; Kenneth N. Raymond
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	11153 - 11160
a	12.392 ± 0.0013 Å
b	26.162 ± 0.003 Å
c	10.5522 ± 0.0012 Å
α	90°
β	96.357 ± 0.003°
γ	90°
Cell volume	3400 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0597
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1107
Weighted residual factors for all reflections included in the refinement	0.1149
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178844 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/98.	4109891.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109891.cif
58669	2012-05-29	cif/ Adding structures of 4109891 via cif-deposit CGI script.	4109891.cif