Crystallography Open Database

Information card for entry 4086233

Preview

Coordinates	4086233.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50.33 H93.67 K N2 O7.33 Si4 Y
Calculated formula	C50.3333 H93.6667 K N2 O7.33333 Si4 Y
Title of publication	Ligand Effects in the Synthesis of Ln2+Complexes by Reduction of Tris(cyclopentadienyl) Precursors Including C‒H Bond Activation of an Indenyl Anion
Authors of publication	Corbey, Jordan F.; Woen, David H.; Palumbo, Chad T.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	15
Pages of publication	3909
a	11.7555 ± 0.001 Å
b	27.604 ± 0.002 Å
c	30.637 ± 0.003 Å
α	116.143 ± 0.0011°
β	91.3921 ± 0.0012°
γ	94.2639 ± 0.0012°
Cell volume	8881.8 ± 1.3 Å³
Cell temperature	88 ± 2 K
Ambient diffraction temperature	88 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1094
Residual factor for significantly intense reflections	0.0625
Weighted residual factors for significantly intense reflections	0.145
Weighted residual factors for all reflections included in the refinement	0.1672
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
154502 (current)	2015-09-05	cif/ Adding structures of 4086233 via cif-deposit CGI script.	4086233.cif