Crystallography Open Database

Information card for entry 4109890

Preview

Coordinates	4109890.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H34 Er N7 O11
Calculated formula	C36 H30 Er N7 O11
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	12.3589 ± 0.0018 Å
b	26.132 ± 0.004 Å
c	10.5565 ± 0.0015 Å
α	90°
β	96.277 ± 0.002°
γ	90°
Cell volume	3388.9 ± 0.9 Å³
Cell temperature	165 ± 2 K
Ambient diffraction temperature	165 ± 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	0.0976
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.0986
Weighted residual factors for all reflections included in the refinement	0.1118
Goodness-of-fit parameter for all reflections included in the refinement	0.993
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
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.	4109890.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109890.cif
58668	2012-05-29	cif/ Adding structures of 4109890 via cif-deposit CGI script.	4109890.cif