Crystallography Open Database

Information card for entry 4112843

Preview

Coordinates	4112843.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H107 N6 P4 Si8 Zr2
Calculated formula	C69 H106.008 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	12.5329 ± 0.0007 Å
b	13.3989 ± 0.0005 Å
c	25.9965 ± 0.0018 Å
α	91.876 ± 0.002°
β	103.279 ± 0.001°
γ	107.544 ± 0.002°
Cell volume	4026.6 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0743
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.128
Weighted residual factors for all reflections included in the refinement	0.1364
Goodness-of-fit parameter for all reflections included in the refinement	1.116
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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