Crystallography Open Database

Information card for entry 4327600

Preview

Coordinates	4327600.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H112 La4 N16 O50
Calculated formula	C84 H60 La4 N16 O50
Title of publication	Solid-State and Solution Properties of the Lanthanide Complexes of a New Heptadentate Tripodal Ligand: A Route to Gadolinium Complexes with an Improved Relaxation Efficiency
Authors of publication	Yann Bretonnière; Marinella Mazzanti; Jacques Pécaut; Frank A. Dunand; André E. Merbach
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	6737 - 6745
a	14.4473 ± 0.0016 Å
b	15.02 ± 0.003 Å
c	23.954 ± 0.002 Å
α	90°
β	101.01 ± 0.009°
γ	90°
Cell volume	5102.3 ± 1.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1034
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1228
Weighted residual factors for all reflections included in the refinement	0.1399
Goodness-of-fit parameter for all reflections included in the refinement	0.961
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
179379 (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 4/32/76.	4327600.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327600.cif
61422	2012-07-04	cif/ Adding structures of 4327600 via cif-deposit CGI script.	4327600.cif