Crystallography Open Database

Information card for entry 4088905

Preview

Coordinates	4088905.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H20 Mn
Calculated formula	C15 H20 Mn
SMILES	[Mn]12345678([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)[cH]1[cH]8[cH]7[cH]6[cH]51
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	7.865 ± 0.002 Å
b	8.2036 ± 0.0015 Å
c	12.163 ± 0.002 Å
α	101.645 ± 0.015°
β	96.985 ± 0.018°
γ	118.493 ± 0.018°
Cell volume	653.5 ± 0.3 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0371
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0896
Weighted residual factors for all reflections included in the refinement	0.0912
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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.	4088905.cif