Crystallography Open Database

Information card for entry 7041386

Preview

Coordinates	7041386.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H48 B2 F8 N3 Ni P3
Calculated formula	C47 H48 B2 F8 N3 Ni P3
SMILES	[Ni]1([P](c2ccccc2)(CC(C)(CP(c2ccccc2)c2ccccc2)C[P]1(c1ccccc1)c1ccccc1)c1ccccc1)([N]#CC)([N]#CC)[N]#CC.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
Title of publication	Spontaneous Si-C bond cleavage in (Triphos(Si))-nickel complexes.
Authors of publication	Petuker, Anette; Mebs, Stefan; Schuth, Nils; Gerschel, Philipp; Reback, Matthew L.; Mallick, Bert; van Gastel, Maurice; Haumann, Michael; Apfel, Ulf-Peter
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	3
Pages of publication	907 - 917
a	20.7166 ± 0.0005 Å
b	12.4767 ± 0.0003 Å
c	20.5881 ± 0.0003 Å
α	90°
β	109.315 ± 0.002°
γ	90°
Cell volume	5022 ± 0.2 Å³
Cell temperature	105.1 ± 0.14 K
Ambient diffraction temperature	105.1 ± 0.14 K
Number of distinct elements	7
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	0.0499
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1227
Weighted residual factors for all reflections included in the refinement	0.1272
Goodness-of-fit parameter for all reflections included in the refinement	1.0492
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
191645 (current)	2017-02-04	cif/ Updating files of 7041386, 7041387, 7041388, 7041389, 7041390, 7041391, 7041392, 7041393 Original log message: Adding full bibliography for 7041386--7041393.cif.	7041386.cif
189018	2016-12-09	cif/ Adding structures of 7041386, 7041387, 7041388, 7041389, 7041390, 7041391, 7041392, 7041393 via cif-deposit CGI script.	7041386.cif