Crystallography Open Database

Information card for entry 4325899

Preview

Coordinates	4325899.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H76 Ce Cu5 N13 O32
Calculated formula	C45 H50 Ce Cu5 N13 O32
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	15.251 ± 0.003 Å
b	15.251 ± 0.003 Å
c	48.494 ± 0.019 Å
α	90°
β	90°
γ	120°
Cell volume	9768 ± 5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	152
Hermann-Mauguin space group symbol	P 31 2 1
Hall space group symbol	P 31 2"
Residual factor for all reflections	0.0655
Residual factor for significantly intense reflections	0.0617
Weighted residual factors for significantly intense reflections	0.1331
Weighted residual factors for all reflections included in the refinement	0.1347
Goodness-of-fit parameter for all reflections included in the refinement	1.25
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.	4325899.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325899.cif
46935	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4325899 via cif-deposit CGI script.	4325899.cif