Crystallography Open Database

Information card for entry 1557728

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Coordinates	1557728.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Dichlorobis(eta5-indenyl)zirconium(IV) [Zr(C5H5)2Cl2]
Formula	C10 H10 Cl2 Zr
Calculated formula	C10 Cl2 Zr
SMILES	[Zr]12345678(Cl)(Cl)([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]5[cH]6[cH]7[cH]81
Title of publication	Low-Temperature Crystal Structures of Dichlorobis(eta5-indenyl)zirconium(IV) at 153 K and Dichlorobis(eta5-cyclopentadienyl)zirconium(IV) at 193 K
Authors of publication	Repo, Timo; Klinga, Martti; Mutikainen, Ilpo; Su, Yincai; Leskela, Markku; Polamo, Mika
Journal of publication	Acta Chemica Scandinavica
Year of publication	1996
Journal volume	50
Pages of publication	1116 - 1120
a	8.031 ± 0.004 Å
b	11.768 ± 0.004 Å
c	12.274 ± 0.004 Å
α	70.63 ± 0.03°
β	103.26 ± 0.04°
γ	92.86 ± 0.02°
Cell volume	1064.7 ± 0.8 Å³
Ambient diffraction temperature	193 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0373
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.066
Weighted residual factors for all reflections included in the refinement	0.0688
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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

Version history

Revision	Date	Message	Files
249998 (current)	2020-04-03	cif/ Adding structures of 1557728 via cif-deposit CGI script.	1557728.cif