Crystallography Open Database

Information card for entry 4325911

Preview

Coordinates	4325911.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H70.5 Cu5 N11.5 O25.5 Sm
Calculated formula	C45 H50 Cu5 N11.5 O19.75 Sm
Title of publication	Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure
Authors of publication	Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	7707 - 7717
a	19.16 ± 0.003 Å
b	18.454 ± 0.002 Å
c	19.596 ± 0.003 Å
α	90°
β	92.228 ± 0.006°
γ	90°
Cell volume	6923.5 ± 1.7 Å³
Cell temperature	158 ± 2 K
Ambient diffraction temperature	158 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1033
Residual factor for significantly intense reflections	0.0765
Weighted residual factors for significantly intense reflections	0.2009
Weighted residual factors for all reflections included in the refinement	0.2197
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 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.	4325911.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325911.cif
46947	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4325911 via cif-deposit CGI script.	4325911.cif