Crystallography Open Database

Information card for entry 4331154

Preview

Coordinates	4331154.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H29 N Ni P2
Calculated formula	C31 H29 N Ni P2
SMILES	[Ni]12([P](Cc3n2c(cc3)C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C
Title of publication	Nickel(II) Complexes Containing a Pyrrole-Diphosphine Pincer Ligand
Authors of publication	Gopaladasu T. Venkanna; Teresa Virginia M. Ramos; Hadi D. Arman; Zachary J. Tonzetich
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	12789 - 12795
a	14.2607 ± 0.0019 Å
b	16.269 ± 0.002 Å
c	11.528 ± 0.002 Å
α	90°
β	106.917 ± 0.008°
γ	90°
Cell volume	2558.8 ± 0.7 Å³
Cell temperature	98 ± 2 K
Ambient diffraction temperature	98 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0321
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0809
Weighted residual factors for all reflections included in the refinement	0.083
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
179414 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/11.	4331154.cif
80617	2013-04-08	cif/ Adding structures of 4331154 via cif-deposit CGI script.	4331154.cif