Crystallography Open Database

Information card for entry 4068542

Preview

Coordinates	4068542.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H42 Mn Si4
Calculated formula	C22 H42 Mn Si4
SMILES	[c]12([cH]3[c]4([cH]5[cH]1[Mn]16782345[c]2([cH]1[c]6([cH]7[cH]82)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C
Title of publication	Spin Equilibria in Monomeric Manganocenes: Solid-State Magnetic and EXAFS Studies
Authors of publication	Walter, Marc D.; Sofield, Chadwick D.; Booth, Corwin H.; Andersen, Richard A.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	7
Pages of publication	2005
a	10.7271 ± 0.0002 Å
b	12.9706 ± 0.0003 Å
c	20.4812 ± 0.0001 Å
α	90°
β	97.316 ± 0.001°
γ	90°
Cell volume	2826.49 ± 0.09 Å³
Cell temperature	137 ± 2 K
Ambient diffraction temperature	137 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0967
Residual factor for significantly intense reflections	0.0722
Weighted residual factors for significantly intense reflections	0.19
Weighted residual factors for all reflections included in the refinement	0.2005
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
178575 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/85.	4068542.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068542.cif
39849	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068539, 4068540, 4068541, 4068542, 4068543 via cif-deposit CGI script.	4068542.cif