Crystallography Open Database

Information card for entry 4331627

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Coordinates	4331627.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(3,5-di-tert-butyl-pyrazolato)lithium, hexane hemi-solvate
Formula	C47 H83 Li4 N8
Calculated formula	C47 H83 Li4 N8
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	10.669 ± 0.001 Å
b	10.731 ± 0.001 Å
c	23.032 ± 0.003 Å
α	88.162 ± 0.002°
β	77.896 ± 0.002°
γ	88.166 ± 0.002°
Cell volume	2576.1 ± 0.5 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	0.0727
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.137
Weighted residual factors for all reflections included in the refinement	0.1493
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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.	4331627.cif
97755	2014-01-29	cif/ Adding structures of 4331627 via cif-deposit CGI script.	4331627.cif