Crystallography Open Database

Information card for entry 4120271

4120270 << 4120271 >> 4120272

Preview

Coordinates	4120271.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[(mu-NO2)Co(Medoen)Mg(Me3TACN)]BPh4
Formula	C43 H57 B Cl0 Co Mg N8 O4
Calculated formula	C43 H57 B Cl0.137 Co Mg N7.863 O3.726
Title of publication	Selective Nitrite Reduction at Heterobimetallic CoMg Complexes
Authors of publication	Christopher Uyeda; Jonas C. Peters
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	12023 - 12031
a	11.6227 ± 0.0013 Å
b	11.9467 ± 0.0014 Å
c	15.4979 ± 0.0018 Å
α	84.582 ± 0.002°
β	79.196 ± 0.002°
γ	83.448 ± 0.002°
Cell volume	2094.1 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0763
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1271
Weighted residual factors for all reflections included in the refinement	0.1427
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
178979 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/02.	4120271.cif
105931	2014-03-14	cif/ Adding structures of 4120271 via cif-deposit CGI script.	4120271.cif