Crystallography Open Database

Information card for entry 4066852

Preview

Coordinates	4066852.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	Selenium−Manganese Carbonyl Clusters: Synthesis, Reversible Transformation, Electrochemical Properties, and Theoretical Calculations
Authors of publication	Ho, Chia-Hua; Chu, Yen-Yi; Lin, Chien-Nan; Chen, Horng-Wen; Huang, Chung-Yi; Shieh, Minghuey
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	19
Pages of publication	4396
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
178560 (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 4/06/68.	4066852.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066852.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066852.cif
34006	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066852, 4066853, 4066854, 4066855 via cif-deposit CGI script.	4066852.cif