Crystallography Open Database

Information card for entry 2311901

2311900 << 2311901 >> 2311902

Preview

Coordinates	2311901.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Diacetonitrile{η^3^-[4-(dimethylamino)pyridinium-1-yl]cycloheptatrienido}\ palladium(II) bis(tetrafluoroborate)
Formula	C18 H22 Br2 F8 N4 Pd
Calculated formula	C18 H22 B1.9995 F7.998 N4 Pd
Title of publication	A halide-free pyridinium-substituted η<sup>3</sup>-cycloheptatrienide-Pd complex.
Authors of publication	Jandl, C.; Stegbauer, S.; Pöthig, A
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2017
Journal volume	73
Journal issue	Pt 9
Pages of publication	754 - 759
a	20.361 ± 0.003 Å
b	8.9068 ± 0.0011 Å
c	24.876 ± 0.003 Å
α	90°
β	95.035 ± 0.005°
γ	90°
Cell volume	4493.9 ± 1 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0236
Residual factor for significantly intense reflections	0.0224
Weighted residual factors for significantly intense reflections	0.0582
Weighted residual factors for all reflections included in the refinement	0.0591
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
246160 (current)	2019-12-26	cif/ Adding structures of 2311900, 2311901 via cif-deposit CGI script.	2311901.cif