Crystallography Open Database

Information card for entry 4331637

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Coordinates	4331637.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	poly-[(3,5-di-tert-butylpyrazolato)potassium]
Formula	C11 H19 K N2
Calculated formula	C11 H19 K N2
SMILES	[K+].[n-]1nc(cc1C(C)(C)C)C(C)(C)C
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	10.54 ± 0.003 Å
b	11.043 ± 0.003 Å
c	12.169 ± 0.003 Å
α	105.689 ± 0.007°
β	104.812 ± 0.006°
γ	100.077 ± 0.005°
Cell volume	1272.2 ± 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	0.0527
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.1095
Weighted residual factors for all reflections included in the refinement	0.114
Goodness-of-fit parameter for all reflections included in the refinement	0.979
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
187017 (current)	2016-10-07	Fixing some Z values and formulae in K compounds.	4331637.cif
179419	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.	4331637.cif
97765	2014-01-29	cif/ Adding structures of 4331637 via cif-deposit CGI script.	4331637.cif