Crystallography Open Database

Information card for entry 7041388

Preview

Coordinates	7041388.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Triphos(C)NiCl
Chemical name	Triphos(C)NiCl
Formula	C41 H39 Cl Ni P3
Calculated formula	C41 H39 Cl Ni P3
SMILES	[Ni]12(Cl)[P](c3ccccc3)(c3ccccc3)CC(C)(C[P]2(c2ccccc2)c2ccccc2)C[P]1(c1ccccc1)c1ccccc1
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	20.7 ± 0.02 Å
b	10.259 ± 0.011 Å
c	16.853 ± 0.016 Å
α	90°
β	90°
γ	90°
Cell volume	3579 ± 6 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.075
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.1183
Weighted residual factors for all reflections included in the refinement	0.1412
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
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.	7041388.cif
189018	2016-12-09	cif/ Adding structures of 7041386, 7041387, 7041388, 7041389, 7041390, 7041391, 7041392, 7041393 via cif-deposit CGI script.	7041388.cif