Crystallography Open Database

Information card for entry 7015691

Preview

Coordinates	7015691.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H45 B F4 Ni O P2
Calculated formula	C24 H45 B F4 Ni O P2
SMILES	c12c3cccc1C[P](C(C)(C)C)(C(C)(C)C)[Ni]2([OH2])[P](C3)(C(C)(C)C)C(C)(C)C.[B](F)(F)(F)[F-]
Title of publication	Nickel(II) hydride and fluoride pincer complexes and their reactivity with Lewis acids BX3·L (X = H, L = thf; X = F, L = Et2O).
Authors of publication	Rossin, Andrea; Peruzzini, Maurizio; Zanobini, Fabrizio
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	17
Pages of publication	4447 - 4452
a	17.28 ± 0.008 Å
b	15.826 ± 0.007 Å
c	20.966 ± 0.009 Å
α	90 ± 0.005°
β	90 ± 0.005°
γ	90 ± 0.005°
Cell volume	5734 ± 4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
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	0.0806
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0465
Weighted residual factors for all reflections included in the refinement	0.0525
Goodness-of-fit parameter for all reflections included in the refinement	0.755
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179860 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/56.	7015691.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7015691.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7015691.cif
21220	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7015690, 7015691 via cif-deposit CGI script.	7015691.cif