Crystallography Open Database

Information card for entry 4331629

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Coordinates	4331629.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(3,5-di-tert-butylpyrazole)(3,5-di-tert-butylpyrazolato)lithium
Formula	C44 H78 Li2 N8
Calculated formula	C22 H39 Li N4
Title of publication	3,5-Dimethyl and 3,5-Di-tert-butylpyrazolato Complexes with Alkali Metals: Monomeric, Dimeric, Cluster, and 1D Chain Structures
Authors of publication	Cortés-Llamas, Sara-Ángelica; Hernández-Lamoneda, Ramón; Velázquez-Carmona, Miguel-Ángel; Muñoz-Hernández, Miguel-Angel; Toscano, Rubén A.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	1
Pages of publication	286 - 294
a	10.31 ± 0.003 Å
b	10.826 ± 0.003 Å
c	11.412 ± 0.003 Å
α	83.982 ± 0.005°
β	71.5 ± 0.004°
γ	75.143 ± 0.005°
Cell volume	1167.2 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0938
Residual factor for significantly intense reflections	0.0691
Weighted residual factors for significantly intense reflections	0.135
Weighted residual factors for all reflections included in the refinement	0.1462
Goodness-of-fit parameter for all reflections included in the refinement	1.1
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
179419 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/16.	4331629.cif
97757	2014-01-29	cif/ Adding structures of 4331629 via cif-deposit CGI script.	4331629.cif