Crystallography Open Database

Information card for entry 4088904

Preview

Coordinates	4088904.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H70 Co Yb2
Calculated formula	C50 H70 Co Yb2
SMILES	[c]12([c]3([c]4([c]5([c]1(C)[Yb]16782345[c]2([c]1(C)[c]6([c]7([c]82C)C)C)C)C)C)C)C.[cH]12[cH]3[cH]4[cH]5[cH]1[Co]16782345[cH]2[cH]1[cH]6[cH]7[cH]82.[Yb]12345678([c]9([c]1([c]4([c]3([c]29C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C
Title of publication	Synthesis and Physical Properties of Pentamethylmanganocene, (C5Me5)Mn(C5H5), and the Inclusion Compounds [(C5Me5)2Yb]2[(C5H5)2M] (Where M = V, Cr, Fe, Co)
Authors of publication	Walter, Marc D.; Burns, Carol J.; Matsunaga, Phillip T.; Smith, Michael E.; Andersen, Richard A.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	20
Pages of publication	3488
a	21.286 ± 0.002 Å
b	21.286 ± 0.002 Å
c	19.703 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	8927.3 ± 1.8 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 2 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0368
Residual factor for significantly intense reflections	0.0214
Weighted residual factors for significantly intense reflections	0.0488
Weighted residual factors for all reflections included in the refinement	0.0518
Goodness-of-fit parameter for all reflections included in the refinement	1.114
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
237876 (current)	2019-11-24	cif/ Adding structures of 4088904, 4088905 via cif-deposit CGI script.	4088904.cif