Crystallography Open Database

Information card for entry 7036748

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Coordinates	7036748.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H66 N2 O4 Zr
Calculated formula	C51 H66 N2 O4 Zr
Title of publication	Zirconium complexes stabilized by amine-bridged bis(phenolato) ligands as precatalysts for intermolecular hydroamination reactions.
Authors of publication	Sun, Qiu; Wang, Yaorong; Yuan, Dan; Yao, Yingming; Shen, Qi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	47
Pages of publication	20352 - 20360
a	19.1566 ± 0.0009 Å
b	16.0193 ± 0.0006 Å
c	16.0089 ± 0.0007 Å
α	90°
β	110.204 ± 0.005°
γ	90°
Cell volume	4610.5 ± 0.4 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.047
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.1094
Weighted residual factors for all reflections included in the refinement	0.1157
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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