Crystallography Open Database

Information card for entry 4060131

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Coordinates	4060131.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H78 N4 P2 Zr
Calculated formula	C80 H78 N4 P2 Zr
Authors of publication	Rainer Vollmerhaus; Robert Tomaszewski; Pengcheng Shao; Nicholas J. Taylor; Kevin J. Wiacek; Stewart P. Lewis; Abdulaziz Al-Humydi; Scott Collins
Journal of publication	Organometallics
Year of publication	2005
a	17.3463 ± 0.0016 Å
b	10.4371 ± 0.0014 Å
c	18.6531 ± 0.0019 Å
α	90°
β	103.929 ± 0.006°
γ	90°
Cell volume	3277.7 ± 0.6 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0275
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for significantly intense reflections	0.0631
Weighted residual factors for all reflections included in the refinement	0.0633
Goodness-of-fit parameter for all reflections included in the refinement	2.165
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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