Crystallography Open Database

Information card for entry 4325897

Preview

Coordinates	4325897.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H60 Cu5 N13 O19 Tm
Calculated formula	C45 H50 Cu5 N13 O29.5 Tm
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	19.1568 ± 0.0008 Å
b	19.1568 ± 0.0008 Å
c	18.3956 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	6750.9 ± 0.5 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	6
Space group number	76
Hermann-Mauguin space group symbol	P 41
Hall space group symbol	P 4w
Residual factor for all reflections	0.0415
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.098
Weighted residual factors for all reflections included in the refinement	0.1038
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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
179361 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/58.	4325897.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325897.cif
46933	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4325897 via cif-deposit CGI script.	4325897.cif