Crystallography Open Database

Information card for entry 4308184

Preview

Coordinates	4308184.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	mu-dibromobis(tert-butylnitrile)hexacarbonyldimanganese(0)
Formula	C8 H9 Br Mn N O3
Calculated formula	C8 H9 Br Mn N O3
Title of publication	Oxidation of the Tris(carbene)borate Complex PhB(MeIm)3MnI(CO)3 to MnIV[PhB(MeIm)3]2(OTf)2
Authors of publication	Adam P. Forshaw; Ranko P. Bontchev; Jeremy M. Smith
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	3792 - 3794
a	9.5832 ± 0.0005 Å
b	11.4151 ± 0.0005 Å
c	10.5034 ± 0.0005 Å
α	90°
β	95.603 ± 0.002°
γ	90°
Cell volume	1143.51 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0856
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0616
Weighted residual factors for all reflections included in the refinement	0.0782
Goodness-of-fit parameter for all reflections included in the refinement	0.982
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
179119 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/81.	4308184.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308184.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308184.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4308184.cif