Crystallography Open Database

Information card for entry 4327601

Preview

Coordinates	4327601.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H44 N8 Nd2 O19
Calculated formula	C42 H30 N8 Nd2 O19
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	22.9762 ± 0.001 Å
b	13.0157 ± 0.0005 Å
c	15.4341 ± 0.0006 Å
α	90°
β	101.724 ± 0.001°
γ	90°
Cell volume	4519.3 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.0557
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0708
Weighted residual factors for all reflections included in the refinement	0.0867
Goodness-of-fit parameter for all reflections included in the refinement	0.985
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.	4327601.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327601.cif
61423	2012-07-04	cif/ Adding structures of 4327601 via cif-deposit CGI script.	4327601.cif