Crystallography Open Database

Information card for entry 4325915

Preview

Coordinates	4325915.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H73 Cu5 Dy N12 O27
Calculated formula	C46 H53 Cu5 Dy N12 O33
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	19.2036 ± 0.0014 Å
b	19.2036 ± 0.0014 Å
c	18.33 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	6759.7 ± 1.3 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	0.0354
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.09
Weighted residual factors for all reflections included in the refinement	0.0924
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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.	4325915.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325915.cif
46951	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4325915 via cif-deposit CGI script.	4325915.cif