Crystallography Open Database

Information card for entry 1544060

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Structure parameters

Chemical name	(η^5^-2,4-Dimethylcyclopenta[<i>b</i>]indolyl)(η^5^-pentamethylcyclopentadienyl)zirconium(IV) dichloride
Formula	C23 H27 Cl2 N Zr
Calculated formula	C23 H27 Cl2 N Zr
SMILES	[Zr]12345678(Cl)(Cl)([c]9%10[c]4([cH]3[c]2([cH]1%10)C)c1ccccc1N9C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C
Title of publication	(η5-2,4-Dimethylcyclopenta[b]indolyl)(η5-pentamethylcyclopentadienyl)zirconium(IV) dichloride
Authors of publication	Medvedev, Michael G.; Ryabov, Alexey N.; Uborsky, Dmitry V.; Kononovich, Dmitry S.; Izmer, Vyatcheslav V.; Voskoboynikov, Alexander Z.
Journal of publication	IUCrData
Year of publication	2016
Journal volume	1
Journal issue	9
a	15.9363 ± 0.0008 Å
b	15.9363 ± 0.0008 Å
c	16.8801 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	4287 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0452
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.0951
Weighted residual factors for all reflections included in the refinement	0.0963
Goodness-of-fit parameter for all reflections included in the refinement	1.11
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
186497 (current)	2016-09-10	cif/ hkl/ Adding structures of 1544060 via cif-deposit CGI script.	1544060.cif 1544060.hkl