Crystallography Open Database

Information card for entry 4325913

Preview

Coordinates	4325913.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H62 Cu5 Gd N13 O29
Calculated formula	C45 H50 Cu5 Gd N13 O28.5
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	19.246 ± 0.0017 Å
b	19.246 ± 0.0017 Å
c	18.373 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	6805.5 ± 1.4 Å³
Cell temperature	118 ± 2 K
Ambient diffraction temperature	118 ± 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	0.0489
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1326
Weighted residual factors for all reflections included in the refinement	0.1371
Goodness-of-fit parameter for all reflections included in the refinement	1.124
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
179362 (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 4/32/59.	4325913.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325913.cif
46949	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4325913 via cif-deposit CGI script.	4325913.cif