Crystallography Open Database

Information card for entry 2019286

2019285 << 2019286 >> 2019287

Preview

Coordinates	2019286.cif
Original IUCr paper	HTML

Structure parameters

Common name	(dtbpe)NiCl2
Chemical name	[1,2-Bis(di-<i>tert</i>-butylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']dichloridonickel(II) chloroform disolvate
Formula	C20 H42 Cl8 Ni P2
Calculated formula	C20 H42 Cl8 Ni P2
Title of publication	Structure, magnetism and colour in simple bis(phosphine)nickel(II) dihalide complexes: an experimental and theoretical investigation
Authors of publication	Schultz, Madeleine; Plessow, Philipp-Nikolaus; Rominger, Frank; Weigel, Laura
Journal of publication	Acta Crystallographica Section C
Year of publication	2013
Journal volume	69
Journal issue	12
Pages of publication	1437 - 1447
a	17.204 ± 0.0003 Å
b	18.2618 ± 0.0003 Å
c	20.2538 ± 0.0004 Å
α	90°
β	94.572 ± 0.001°
γ	90°
Cell volume	6343 ± 0.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0781
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1162
Weighted residual factors for all reflections included in the refinement	0.129
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
176760 (current)	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2019286.cif
92106	2014-01-12	cif/ Adding structures of 2019286, 2019287, 2019288, 2019289, 2019290 via cif-deposit CGI script.	2019286.cif