Crystallography Open Database

Information card for entry 4102164

Preview

Coordinates	4102164.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H40 Mn3 N2 O9 Se3
Calculated formula	C25 H40 Mn3 N2 O9 Se3
Title of publication	Selective Insertion of Oxygen and Selenium into an Electron-Precise Paramagnetic Selenium-Manganese Carbonyl Cluster [Se6Mn6(CO)18]4-
Authors of publication	Minghuey Shieh; Chia-Hua Ho; Wen-Shyan Sheu; Horng-Wen Chen
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	4032 - 4033
a	10.28 ± 0.0002 Å
b	12.077 ± 0.0002 Å
c	15.155 ± 0.0003 Å
α	104.021 ± 0.001°
β	97.014 ± 0.001°
γ	110.291 ± 0.001°
Cell volume	1667.67 ± 0.06 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.079
Residual factor for significantly intense reflections	0.0689
Weighted residual factors for significantly intense reflections	0.1807
Weighted residual factors for all reflections included in the refinement	0.1948
Goodness-of-fit parameter for all reflections included in the refinement	1.123
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
178767 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/21.	4102164.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4102164.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4102164.cif
25015	2011-09-08	../uploads/cif-deposit/cod/cif Adding structures of 4102164 via cif-deposit CGI script.	4102164.cif