Crystallography Open Database

Information card for entry 2311900

2311899 << 2311900 >> 2311901

Preview

Coordinates	2311900.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Di-μ-bromido-bis({η^3^-[4-(dimethylamino)pyridinium-1-yl]cycloheptatrienido}palladium(II)) bis(tetrafluoroborate) acetonitrile disolvate
Formula	C32 H38 B2 Br2 F8 N6 Pd2
Calculated formula	C32 H38 B2 Br2 F8 N6 Pd2
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	7.8161 ± 0.0002 Å
b	11.3126 ± 0.0003 Å
c	12.2248 ± 0.0003 Å
α	116.339 ± 0.0012°
β	99.6342 ± 0.0014°
γ	98.3722 ± 0.0013°
Cell volume	925 ± 0.04 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0262
Residual factor for significantly intense reflections	0.0235
Weighted residual factors for significantly intense reflections	0.0601
Weighted residual factors for all reflections included in the refinement	0.0616
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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.	2311900.cif