Crystallography Open Database

Information card for entry 2019290

2019289 << 2019290 >> 2019291

Preview

Coordinates	2019290.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	[1,2-Bis(diphenylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']diiodidonickel(II) dichloromethane monosolvate
Formula	C27 H26 Cl2 I2 Ni P2
Calculated formula	C27 H26 Cl2 I2 Ni P2
SMILES	[Ni]1(I)(I)[P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl
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	26.3705 ± 0.0017 Å
b	26.3705 ± 0.0017 Å
c	16.79 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	11675.8 ± 1.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	110
Hermann-Mauguin space group symbol	I 41 c d
Hall space group symbol	I 4bw -2c
Residual factor for all reflections	0.0426
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0699
Weighted residual factors for all reflections included in the refinement	0.0746
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
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.	2019290.cif
92106	2014-01-12	cif/ Adding structures of 2019286, 2019287, 2019288, 2019289, 2019290 via cif-deposit CGI script.	2019290.cif