Crystallography Open Database

Information card for entry 4081355

Preview

Coordinates	4081355.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H64.8 N2 Ni2 P4
Calculated formula	C70 H64.8 N2 Ni2 P4
Title of publication	Synthesis, Characterization, and Catalytic Activity of Nickel(II) Alkyl Complexes Supported by Pyrrole‒Diphosphine Ligands
Authors of publication	Venkanna, Gopaladasu T.; Tammineni, Swetha; Arman, Hadi D.; Tonzetich, Zachary J.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	16
Pages of publication	4656
a	10.7014 ± 0.0014 Å
b	14.379 ± 0.0019 Å
c	20.688 ± 0.003 Å
α	99.531 ± 0.002°
β	90.6768 ± 0.0012°
γ	109.668 ± 0.003°
Cell volume	2948.4 ± 0.7 Å³
Cell temperature	98 ± 2 K
Ambient diffraction temperature	98 ± 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	0.0435
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.0992
Weighted residual factors for all reflections included in the refinement	0.1033
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4081355.cif
89213	2013-10-09	cif/ Adding structures of 4081353, 4081354, 4081355, 4081356, 4081357, 4081358 via cif-deposit CGI script.	4081355.cif