Crystallography Open Database

Information card for entry 7111066

Preview

Coordinates	7111066.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H47 N3 Zr
Calculated formula	C33 H47 N3 Zr
Title of publication	Zirconium complexes of a tacn-derived amido ligand and ring-opening to form a new diamido-amino pincer
Authors of publication	Giesbrecht, Garth R.; Shafir, Alex; Arnold, John
Journal of publication	Chemical Communications
Year of publication	2000
Journal issue	21
Pages of publication	2135
a	39.6517 ± 0.0003 Å
b	39.6517 ± 0.0003 Å
c	9.7469 ± 0.0001 Å
α	90°
β	90°
γ	120°
Cell volume	13271.5 ± 0.2 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0428
Residual factor for significantly intense reflections	0.0236
Weighted residual factors for all reflections	0.0315
Weighted residual factors for significantly intense reflections	0.028
Goodness-of-fit parameter for significantly intense reflections	1.008
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKalpha
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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