Crystallography Open Database

Information card for entry 7021999

7021998 << 7021999 >> 7022000

Preview

Coordinates	7021999.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H34 N2 Ni P2
Calculated formula	C32 H34 N2 Ni P2
SMILES	[Ni]123[P](CC[N]2=C(C)C(=[N]3CC[P]1(c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1
Title of publication	Importance of co-donor field strength in the preparation of tetradentate α-diimine nickel hydrosilylation catalysts.
Authors of publication	Porter, Tyler M.; Hall, Gabriel B.; Groy, Thomas L.; Trovitch, Ryan J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	41
Pages of publication	14689 - 14692
a	11.2266 ± 0.001 Å
b	11.408 ± 0.001 Å
c	12.5302 ± 0.0011 Å
α	65.046 ± 0.001°
β	75.784 ± 0.002°
γ	89.781 ± 0.002°
Cell volume	1401.3 ± 0.2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0695
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.096
Weighted residual factors for all reflections included in the refinement	0.1064
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
179924 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/19.	7021999.cif
88923	2013-10-09	cif/ Adding structures of 7021999, 7022000, 7022001 via cif-deposit CGI script.	7021999.cif