Crystallography Open Database

Information card for entry 4111954

4111953 << 4111954 >> 4111955

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Coordinates	4111954.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H100 N6 P4 Si8 Ti2
Calculated formula	C62 H100 N6 P4 Si8 Ti2
Title of publication	Formation of Phosphorus-Nitrogen Bonds by Reduction of a Titanium Phosphine Complex under Molecular Nitrogen
Authors of publication	Lara Morello; Peihua Yu; Christopher D. Carmichael; Brian O. Patrick; Michael D. Fryzuk
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	12796 - 12797
a	25.13 ± 0.0009 Å
b	26.7178 ± 0.001 Å
c	27.4226 ± 0.001 Å
α	90°
β	114.884 ± 0.002°
γ	90°
Cell volume	16702.7 ± 1.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1052
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for significantly intense reflections	0.1795
Weighted residual factors for all reflections included in the refinement	0.1979
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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