Crystallography Open Database

Information card for entry 4120269

4120268 << 4120269 >> 4120270

Preview

Coordinates	4120269.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[(PPh3)Co(Medoen)Mg(Me3TACN)(THF)]BPh4
Formula	C69 H88 B Co Mg N7 O4 P
Calculated formula	C69 H88 B Co Mg N7 O4 P
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	13.7524 ± 0.0008 Å
b	14.0032 ± 0.0008 Å
c	17.5215 ± 0.001 Å
α	103.512 ± 0.003°
β	99.587 ± 0.003°
γ	100.736 ± 0.003°
Cell volume	3144.5 ± 0.3 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	0.0813
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.1003
Weighted residual factors for all reflections included in the refinement	0.1167
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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.	4120269.cif
105929	2014-03-14	cif/ Adding structures of 4120269 via cif-deposit CGI script.	4120269.cif