Crystallography Open Database

Information card for entry 4075572

Preview

Coordinates	4075572.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Bis[Bromo(pentacarbonylmanganese)boryl]oxide
Formula	C10 B2 Br2 Mn2 O11
Calculated formula	C10 B2 Br2 Mn2 O11
SMILES	B(OB(Br)[Mn](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(Br)[Mn](C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Synthesis and Reactivity of Dihaloboryl Complexes
Authors of publication	Braunschweig, Holger; Radacki, Krzysztof; Seeler, Fabian; Whittell, George R.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	19
Pages of publication	4605
a	25.022 ± 0.003 Å
b	6.3286 ± 0.0008 Å
c	13.1563 ± 0.0016 Å
α	90°
β	120.051 ± 0.002°
γ	90°
Cell volume	1803.3 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0199
Residual factor for significantly intense reflections	0.0187
Weighted residual factors for significantly intense reflections	0.0497
Weighted residual factors for all reflections included in the refinement	0.0503
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
178644 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/55.	4075572.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075572.cif
49320	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075572 via cif-deposit CGI script.	4075572.cif