Crystallography Open Database

Information card for entry 2004910

2004909 << 2004910 >> 2004911

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Coordinates	2004910.cif
Original IUCr paper	HTML

Structure parameters

Common name	Dichlorophenyl imino Zirconium dimer THF adduct
Chemical name	Zr,Zr,Zr',Zr'-TetrachloroDi(μ-Phenyl-imino)Zr,Zr,Zr',Zr'- Tetrakis(Tetrahydrofurane)DiZirconium(IV)
Formula	C28 H42 Cl4 N2 O4 Zr2
Calculated formula	C28 H42 Cl4 N2 O4 Zr2
SMILES	c1(ccccc1)N1[Zr]([O]2CCCC2)(N(c2ccccc2)[Zr]1([O]1CCCC1)(Cl)([O]1CCCC1)Cl)([O]1CCCC1)(Cl)Cl
Title of publication	A 1:4 Adduct of Tetrachlorobis(μ-phenylimido)dizirconium(IV) and Tetrahydrofuran
Authors of publication	Polamo, M.; Mutikainen, I.; Leskelä, M.
Journal of publication	Acta Crystallographica Section C
Year of publication	1996
Journal volume	52
Journal issue	5
Pages of publication	1082 - 1084
a	9.431 ± 0.002 Å
b	11.27 ± 0.002 Å
c	15.781 ± 0.003 Å
α	90°
β	91.13 ± 0.03°
γ	90°
Cell volume	1677 ± 0.6 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0408
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for all reflections	0.0896
Weighted residual factors for significantly intense reflections	0.0871
Goodness-of-fit parameter for all reflections	1.037
Goodness-of-fit parameter for significantly intense reflections	1.064
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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