Crystallography Open Database

Information card for entry 7716045

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Coordinates	7716045.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H56 Cl4 Zr2
Calculated formula	C54 H56 Cl4 Zr2
Title of publication	Dinuclear Group IV Metal Complexes based on a Bis(indenyl)-(E/Z)-Stilbene Platform: A Potential Prototype of “Photoswitchable” Catalysts for Olefin Polymerization
Authors of publication	Romero, Nuria; Chavagnan, Thierry; Roisnel, Thierry; Welle, Alexandre; Kirillov, Evgueni; Carpentier, Jean-Francois
Journal of publication	Dalton Transactions
Year of publication	2024
a	9.0237 ± 0.0012 Å
b	13.1611 ± 0.0014 Å
c	39.397 ± 0.004 Å
α	90°
β	92.514 ± 0.003°
γ	90°
Cell volume	4674.4 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1154
Residual factor for significantly intense reflections	0.1098
Weighted residual factors for significantly intense reflections	0.2868
Weighted residual factors for all reflections included in the refinement	0.2907
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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