Crystallography Open Database

Information card for entry 4112842

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Coordinates	4112842.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H103 N6 P4 Si8 Zr2
Calculated formula	C67 H103 N6 P4 Si8 Zr2
Title of publication	Carbon-Nitrogen Bond Formation via the Reaction of Terminal Alkynes with a Dinuclear Side-on Dinitrogen Complex
Authors of publication	Lara Morello; Jason B. Love; Brian O. Patrick; Michael D. Fryzuk
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	9480 - 9481
a	13.5924 ± 0.0011 Å
b	24.6866 ± 0.0019 Å
c	12.543 ± 0.0011 Å
α	100.987 ± 0.007°
β	107.008 ± 0.006°
γ	81.744 ± 0.007°
Cell volume	3933.6 ± 0.6 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1174
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0857
Weighted residual factors for all reflections included in the refinement	0.1017
Goodness-of-fit parameter for all reflections included in the refinement	0.972
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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