Crystallography Open Database

Information card for entry 4325908

Preview

Coordinates	4325908.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C180 H264 Cu20 Er4 N52 O108
Calculated formula	C180 H200 Cu20 Er4 N51.54 O107.52
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	24.591 ± 0.004 Å
b	29.558 ± 0.005 Å
c	34.929 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	25389 ± 7 Å³
Cell temperature	108 ± 2 K
Ambient diffraction temperature	108 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0753
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.12
Weighted residual factors for all reflections included in the refinement	0.132
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
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.	4325908.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325908.cif
46944	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4325908 via cif-deposit CGI script.	4325908.cif