Crystallography Open Database

Information card for entry 7041387

Preview

Coordinates	7041387.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Triphos(Si)Ni(CH2PPh2) BF4
Chemical name	Triphos(Si)Ni(CH2PPh2) BF4
Formula	C55 H54 B F4 N Ni P4 Si
Calculated formula	C55 H54 B F4 N Ni P4 Si
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	10.3301 ± 0.0001 Å
b	20.6239 ± 0.0002 Å
c	23.6859 ± 0.0002 Å
α	90°
β	90.01 ± 0.02°
γ	90°
Cell volume	5046.21 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
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	0.0342
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0838
Weighted residual factors for all reflections included in the refinement	0.0846
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	7041387.cif
189018	2016-12-09	cif/ Adding structures of 7041386, 7041387, 7041388, 7041389, 7041390, 7041391, 7041392, 7041393 via cif-deposit CGI script.	7041387.cif