Crystallography Open Database

Information card for entry 4109883

Preview

Coordinates	4109883.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H34 N7 O11 Pr
Calculated formula	C36 H30 N7 O11 Pr
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	12.3482 ± 0.0014 Å
b	26.594 ± 0.003 Å
c	10.6089 ± 0.0012 Å
α	90°
β	96.581 ± 0.002°
γ	90°
Cell volume	3460.9 ± 0.7 Å³
Cell temperature	157 ± 2 K
Ambient diffraction temperature	157 ± 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	0.086
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.1086
Weighted residual factors for all reflections included in the refinement	0.1194
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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.	4109883.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109883.cif
58661	2012-05-29	cif/ Adding structures of 4109883 via cif-deposit CGI script.	4109883.cif