Crystallography Open Database

Information card for entry 2240632

Preview

Coordinates	2240632.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	3-Methyl-5-trimethylsilyl-1<i>H</i>-pyrazole
Formula	C7 H14 N2 Si
Calculated formula	C7 H14 N2 Si
Title of publication	Crystal structure of 3-methyl-5-trimethylsilyl-1<i>H</i>-pyrazole
Authors of publication	Ferrence, Gregory M.; Kocher, Joshua L.
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	6
Pages of publication	o397
a	19.221 ± 0.003 Å
b	19.221 Å
c	10.5812 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	3909.2 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0646
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for all reflections included in the refinement	0.1211
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	2240632.cif
136423	2015-05-13	cif/ hkl/ Adding structures of 2240632 via cif-deposit CGI script.	2240632.cif