Crystallography Open Database

Information card for entry 4075668

Preview

Coordinates	4075668.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H39 Br2 N Ni O2 P2
Calculated formula	C37 H39 Br2 N Ni O2 P2
SMILES	Br[Ni]1(Br)[P](CP(=[N]1Cc1ccc(OC)cc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O1CCCC1
Title of publication	Synthesis of New Mixed Phosphineσim Iminophosphorane Bidentate Ligands and Their Coordination to Group 10 Metal Centers
Authors of publication	Boubekeur, Leïla; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	6
Pages of publication	1065
a	19.997 ± 0.001 Å
b	9.79 ± 0.001 Å
c	17.67 ± 0.001 Å
α	90°
β	95.4 ± 0.001°
γ	90°
Cell volume	3443.9 ± 0.4 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	7
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	0.0542
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0843
Weighted residual factors for all reflections included in the refinement	0.0903
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178645 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/56.	4075668.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075668.cif
50609	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4075662, 4075663, 4075664, 4075665, 4075666, 4075667, 4075668 via cif-deposit CGI script.	4075668.cif