Crystallography Open Database

Information card for entry 4325898

Preview

Coordinates	4325898.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H100 Cu10 La2 N25 O57.5
Calculated formula	C90 H100 Cu10 La2 N25 O57.5
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	15.2671 ± 0.0002 Å
b	15.2671 ± 0.0001 Å
c	48.4117 ± 0.0006 Å
α	90 ± 0.0007°
β	90 ± 0.0004°
γ	120 ± 0.0005°
Cell volume	9772.24 ± 0.19 Å³
Cell temperature	158 ± 2 K
Ambient diffraction temperature	158 ± 2 K
Number of distinct elements	6
Space group number	154
Hermann-Mauguin space group symbol	P 32 2 1
Hall space group symbol	P 32 2"
Residual factor for all reflections	0.0559
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1228
Weighted residual factors for all reflections included in the refinement	0.1239
Goodness-of-fit parameter for all reflections included in the refinement	1.215
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.	4325898.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325898.cif
46934	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4325898 via cif-deposit CGI script.	4325898.cif