Crystallography Open Database

Information card for entry 4304129

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Coordinates	4304129.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H84 N6 P4 Si8 Zr2
Calculated formula	C48 H84 N6 P4 Si8 Zr2
Title of publication	Side-On Bound Dinitrogen Complex of Zirconium Supported by a P2N2 Macrocyclic Ligand
Authors of publication	Lara Morello; Maria João Ferreira; Brian O. Patrick; Michael D. Fryzuk
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	1319 - 1323
a	14.29 ± 0.003 Å
b	19.213 ± 0.002 Å
c	24.033 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	6598.4 ± 1.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	68
Hermann-Mauguin space group symbol	C c c a :2
Hall space group symbol	-C 2a 2ac
Residual factor for all reflections	0.1383
Residual factor for significantly intense reflections	0.073
Weighted residual factors for significantly intense reflections	0.202
Weighted residual factors for all reflections included in the refinement	0.2383
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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