Crystallography Open Database

Information card for entry 4075571

Preview

Coordinates	4075571.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Pentacarbonyldichloroborylmanganese
Formula	C5 B Cl2 Mn O5
Calculated formula	C5 B Cl2 Mn O5
SMILES	B(Cl)([Mn](C#[O])(C#[O])(C#[O])(C#[O])C#[O])Cl
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	23.778 ± 0.005 Å
b	6.7756 ± 0.0015 Å
c	12.024 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1937.2 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0267
Residual factor for significantly intense reflections	0.0263
Weighted residual factors for significantly intense reflections	0.0645
Weighted residual factors for all reflections included in the refinement	0.0646
Goodness-of-fit parameter for all reflections included in the refinement	1.249
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.	4075571.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075571.cif
49319	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075571 via cif-deposit CGI script.	4075571.cif