Crystallography Open Database

Information card for entry 4325901

Preview

Coordinates	4325901.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H67.5 Cu5 N11.5 Nd O24
Calculated formula	C45 H50 Cu5 N10.5 Nd O14.75
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	27.1588 ± 0.0016 Å
b	14.8506 ± 0.0009 Å
c	33.574 ± 0.002 Å
α	90°
β	92.551 ± 0.001°
γ	90°
Cell volume	13527.8 ± 1.4 Å³
Cell temperature	158 ± 2 K
Ambient diffraction temperature	158 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0883
Residual factor for significantly intense reflections	0.078
Weighted residual factors for significantly intense reflections	0.1886
Weighted residual factors for all reflections included in the refinement	0.1949
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4325901.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325901.cif
46937	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4325901 via cif-deposit CGI script.	4325901.cif