Crystallography Open Database

Information card for entry 4327485

Preview

Coordinates	4327485.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36.5 H50 B N8 O2 Y
Calculated formula	C36.5 H46 B N8 O2 Y
Title of publication	Coordination of 2,2'-Bipyridyl and 1,10-Phenanthroline to Yttrium and Lanthanum Complexes Based on a Scorpionate Ligand
Authors of publication	Dmitrii Roitershtein; Ângela Domingos; Laura C. J. Pereira; José R. Ascenso; Noémia Marques
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	7666 - 7673
a	10.8213 ± 0.0016 Å
b	12.422 ± 0.003 Å
c	15.495 ± 0.002 Å
α	69.366 ± 0.015°
β	80.171 ± 0.015°
γ	75.027 ± 0.016°
Cell volume	1875.8 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2655
Residual factor for significantly intense reflections	0.1086
Weighted residual factors for significantly intense reflections	0.1519
Weighted residual factors for all reflections included in the refinement	0.1984
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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.	4327485.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327485.cif
61279	2012-06-26	cif/4 Fixing wrong year of publication of several entries (there was a mistake when these files were deposited)	4327485.cif
61256	2012-06-25	cif/ Adding structures of 4327485 via cif-deposit CGI script.	4327485.cif