Crystallography Open Database

Information card for entry 4344792

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Coordinates	4344792.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H46 Cl3 N P2 Zr
Calculated formula	C46 H46 Cl3 N P2 Zr
Title of publication	Synthesis and Reactivity of Group 4 Metal Benzyl Complexes Supported by Carbazolide-Based PNP Pincer Ligands.
Authors of publication	Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	55
Journal issue	1
Pages of publication	353
a	11.01348 ± 0.00015 Å
b	11.11271 ± 0.00016 Å
c	18.54 ± 0.0003 Å
α	76.9709 ± 0.0013°
β	77.1365 ± 0.0013°
γ	71.1366 ± 0.0013°
Cell volume	2064.18 ± 0.06 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	120 ± 1 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	0.0436
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0771
Weighted residual factors for all reflections included in the refinement	0.0791
Goodness-of-fit parameter for all reflections included in the refinement	1.158
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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