Crystallography Open Database

Information card for entry 4079395

Preview

Coordinates	4079395.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H42 Cl2 Co F6 P
Calculated formula	C47 H42 Cl2 Co F6 P
Title of publication	Dipolar Sesquifulvalene Compounds with (Tetraaryl-η4-cyclobutadiene)(η5- cyclopentadienediyl)cobalt(I) Complex Units as Electron Donors
Authors of publication	Dabek, Sven; Prosenc, Marc Heinrich; Heck, Jürgen
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	19
Pages of publication	6911
a	11.969 ± 0.002 Å
b	12.806 ± 0.003 Å
c	13.689 ± 0.003 Å
α	86.24 ± 0.03°
β	79.13 ± 0.03°
γ	88.55 ± 0.03°
Cell volume	2055.9 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1388
Residual factor for significantly intense reflections	0.0667
Weighted residual factors for significantly intense reflections	0.1316
Weighted residual factors for all reflections included in the refinement	0.1582
Goodness-of-fit parameter for all reflections included in the refinement	0.936
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
178682 (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 4/07/93.	4079395.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079395.cif
72423	2013-01-21	cif/ Adding structures of 4079394, 4079395 via cif-deposit CGI script.	4079395.cif