Crystallography Open Database

Information card for entry 4071148

Preview

Coordinates	4071148.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H41 N Ni P2
Calculated formula	C38 H41 N Ni P2
SMILES	c1(ccccc1)[P]1(c2ccccc2)c2ccccc2N2c3ccccc3[P](C(C)C)(C(C)C)[Ni]12C(C)c1ccccc1
Title of publication	Phosphorus and Olefin Substituent Effects on the Insertion Chemistry of Nickel(II) Hydride Complexes Containing Amido Diphosphine Ligands
Authors of publication	Liang, Lan-Chang; Chien, Pin-Shu; Lee, Pei-Ying
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	13
Pages of publication	3082
a	10.827 ± 0.005 Å
b	16.74 ± 0.009 Å
c	36.494 ± 0.017 Å
α	90°
β	90°
γ	90°
Cell volume	6614 ± 6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.3177
Residual factor for significantly intense reflections	0.079
Weighted residual factors for significantly intense reflections	0.1269
Weighted residual factors for all reflections included in the refinement	0.1995
Goodness-of-fit parameter for all reflections included in the refinement	0.959
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
178600 (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 4/07/11.	4071148.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071148.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071148.cif
43065	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071141, 4071142, 4071143, 4071144, 4071145, 4071146, 4071147, 4071148 via cif-deposit CGI script.	4071148.cif