Crystallography Open Database

Information card for entry 4080776

Preview

Coordinates	4080776.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H25 B2 Co F6 Ir P
Calculated formula	C18 H25 B2 Co F6 Ir P
Title of publication	Monocationic μ-Diborolyl Triple-Decker Complexes [CpCo(μ-1,3-C3B2Me5)M(ring)]+: Synthesis, Structures, and Electrochemistry
Authors of publication	Muratov, Dmitry V.; Romanov, Alexander S.; Timofeeva, Tatiana V.; Siebert, Walter; Corsini, Maddalena; Fedi, Serena; Zanello, Piero; Kudinov, Alexander R.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	9
Pages of publication	2713
a	10.118 ± 0.005 Å
b	14.491 ± 0.007 Å
c	14.639 ± 0.006 Å
α	83.576 ± 0.007°
β	82.452 ± 0.005°
γ	82.94 ± 0.007°
Cell volume	2101.6 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1197
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.099
Weighted residual factors for all reflections included in the refinement	0.1128
Goodness-of-fit parameter for all reflections included in the refinement	0.898
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
178696 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/07.	4080776.cif
87281	2013-07-14	cif/ Adding structures of 4080774, 4080775, 4080776, 4080777, 4080778 via cif-deposit CGI script.	4080776.cif