Crystallography Open Database

Information card for entry 7031868

Preview

Coordinates	7031868.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	methyl-(bis(3,4-trifluoromethyl-pyrrole)-trans-bis- trimethylphosphine-nickel(ii)
Formula	C13 H23 F6 N Ni P2
Calculated formula	C13 H23 F6 N Ni P2
SMILES	[Ni]([P](C)(C)C)([P](C)(C)C)(n1cc(C(F)(F)F)c(c1)C(F)(F)F)C
Title of publication	Synthesis and structures of mononuclear 3,4-bis(trifluoromethyl)pyrrolyl complexes of Rh(i) and Ni(ii).
Authors of publication	Rivers, Joseph H.; Jones, Richard A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	43
Pages of publication	16275 - 16282
a	9.446 ± 0.0013 Å
b	19.127 ± 0.003 Å
c	11.7898 ± 0.0016 Å
α	90°
β	116.467 ± 0.003°
γ	90°
Cell volume	1906.9 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0579
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.0842
Weighted residual factors for all reflections included in the refinement	0.0907
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
180024 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/18.	7031868.cif
126459	2014-11-06	cif/ Updating files of 7031866, 7031867, 7031868, 7031869, 7031870 Original log message: Adding full bibliography for 7031866--7031870.cif.	7031868.cif
121417	2014-08-06	cif/ Adding structures of 7031866, 7031867, 7031868, 7031869, 7031870 via cif-deposit CGI script.	7031868.cif