Crystallography Open Database

Information card for entry 4327482

Preview

Coordinates	4327482.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H32 B Cl4 N8 Y
Calculated formula	C28 H32 B Cl4 N8 Y
SMILES	[Y]123(Cl)(Cl)([n]4cccc5c4c4[n]1cccc4cc5)[n]1n(c(cc1C)C)[BH](n1[n]2c(cc1C)C)n1[n]3c(cc1C)C.ClCCl
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	10.3735 ± 0.0008 Å
b	18.5836 ± 0.001 Å
c	16.713 ± 0.0009 Å
α	90°
β	95.248 ± 0.006°
γ	90°
Cell volume	3208.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.1953
Residual factor for significantly intense reflections	0.0869
Weighted residual factors for significantly intense reflections	0.1094
Weighted residual factors for all reflections included in the refinement	0.1504
Goodness-of-fit parameter for all reflections included in the refinement	1.102
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
179377 (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 4/32/74.	4327482.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327482.cif
61279	2012-06-26	cif/4 Fixing wrong year of publication of several entries (there was a mistake when these files were deposited)	4327482.cif
61253	2012-06-25	cif/ Adding structures of 4327482 via cif-deposit CGI script.	4327482.cif