Crystallography Open Database

Information card for entry 4070867

Preview

Coordinates	4070867.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H58 B Ni P3
Calculated formula	C34 H58 B Ni P3
SMILES	[Ni]1([P](C)(C)CC[P]1(C)C)([P](c1ccccc1)(c1ccccc1)CC[B](C)(C1CCCCC1)C1CCCCC1)C
Title of publication	β-Phosphinoethylboranes as Ambiphilic Ligands in Nickel−Methyl Complexes
Authors of publication	Fischbach, Andreas; Bazinet, Patrick R.; Waterman, Rory; Tilley, T. Don
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	6
Pages of publication	1135
a	10.4003 ± 0.0018 Å
b	11.84 ± 0.002 Å
c	15.52 ± 0.003 Å
α	76.509 ± 0.003°
β	88.116 ± 0.003°
γ	68.598 ± 0.003°
Cell volume	1727.4 ± 0.5 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 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	0.0859
Residual factor for significantly intense reflections	0.0586
Weighted residual factors for significantly intense reflections	0.1571
Weighted residual factors for all reflections included in the refinement	0.1716
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
178597 (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 4/07/08.	4070867.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070867.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070867.cif
42804	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070867 via cif-deposit CGI script.	4070867.cif