Crystallography Open Database

Information card for entry 2020603

2020602 << 2020603 >> 2020604

Preview

Structure parameters

Chemical name	(Acetonitrile-κ<i>N</i>){tris[5-methyl-3-(trifluoromethyl)pyrazol-1-yl-κ<i>N</i>^2^]hydroborato}silver(I)
Formula	C17 H16 Ag B F9 N7
Calculated formula	C17 H16 Ag B F9 N7
SMILES	[Ag]12([n]3n(c(cc3C(F)(F)F)C)[BH](n3[n]1c(cc3C)C(F)(F)F)n1[n]2c(cc1C)C(F)(F)F)[N]#CC
Title of publication	The silver(I) complex [HB{3-(CF~3~),5-(CH~3~)Pz}~3~]AgNCCH~3~ supported by a partially fluorinated scorpionate ligand
Authors of publication	Dias, H. V. Rasika; Kulkarni, Naveen
Journal of publication	Acta Crystallographica Section C
Year of publication	2016
Journal volume	72
Journal issue	11
Pages of publication	853 - 856
a	8.9547 ± 0.0007 Å
b	11.3267 ± 0.0008 Å
c	11.8011 ± 0.0009 Å
α	102.919 ± 0.001°
β	103.564 ± 0.001°
γ	96.901 ± 0.001°
Cell volume	1115.14 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.96 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0214
Residual factor for significantly intense reflections	0.021
Weighted residual factors for significantly intense reflections	0.0545
Weighted residual factors for all reflections included in the refinement	0.0548
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
188937 (current)	2016-12-06	cif/ Updating files of 2020603 Original log message: Adding full bibliography for 2020603.cif.	2020603.cif 2020603.hkl
186991	2016-10-07	cif/ hkl/ Adding structures of 2020603 via cif-deposit CGI script.	2020603.cif 2020603.hkl