Crystallography Open Database

Information card for entry 7017696

Preview

Coordinates	7017696.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H24 Br N2 Ni P
Calculated formula	C22 H24 Br N2 Ni P
SMILES	Br[Ni]12[P](c3ccccc3)(c3ccccc3)c3ccccc3N1CC[N]2(C)C
Title of publication	Nickel complexes incorporating an amido phosphine chelate with a pendant amine arm: synthesis, structure, and catalytic Kumada coupling.
Authors of publication	Liang, Lan-Chang; Lee, Wei-Ying; Hung, Yu-Ting; Hsiao, Yi-Chen; Cheng, Liang-Chien; Chen, Wei-Chen
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	4
Pages of publication	1381 - 1388
a	9.1844 ± 0.0004 Å
b	11.8541 ± 0.0005 Å
c	18.9047 ± 0.001 Å
α	90°
β	91.546 ± 0.002°
γ	90°
Cell volume	2057.46 ± 0.17 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.1434
Residual factor for significantly intense reflections	0.0758
Weighted residual factors for significantly intense reflections	0.1742
Weighted residual factors for all reflections included in the refinement	0.2308
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
179880 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/76.	7017696.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7017696.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7017696.cif
33391	2012-02-12	../uploads/cif-deposit/cod/cif Adding structures of 7017691, 7017692, 7017693, 7017694, 7017695, 7017696 via cif-deposit CGI script.	7017696.cif