Crystallography Open Database

Information card for entry 4081356

Preview

Coordinates	4081356.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H57 N Ni P2
Calculated formula	C37 H57 N Ni P2
SMILES	[Ni]12([P](C3CCCCC3)(Cc3n2c(C[P]1(C1CCCCC1)C1CCCCC1)cc3)C1CCCCC1)Cc1ccccc1
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	11.562 ± 0.0009 Å
b	17.6183 ± 0.0015 Å
c	16.6864 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	3399.1 ± 0.5 Å³
Cell temperature	98 ± 2 K
Ambient diffraction temperature	98 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0273
Residual factor for significantly intense reflections	0.0267
Weighted residual factors for significantly intense reflections	0.0626
Weighted residual factors for all reflections included in the refinement	0.063
Goodness-of-fit parameter for all reflections included in the refinement	0.99
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
178702 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/13.	4081356.cif
89213	2013-10-09	cif/ Adding structures of 4081353, 4081354, 4081355, 4081356, 4081357, 4081358 via cif-deposit CGI script.	4081356.cif