Crystallography Open Database

Information card for entry 4079682

Preview

Coordinates	4079682.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H82 Cr2
Calculated formula	C68 H82 Cr2
Title of publication	Structural and Magnetic Studies of a Quasi-Inverse Sandwich Cyclooctatetraene Complex with Two High-Spin Chromium(II) Ions Bound Anti-Facially
Authors of publication	Boynton, Jessica N.; Summerscales, Owen T.; Grandjean, Fernande; Long, Gary J.; Fettinger, James C.; Power, Philip P.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	24
Pages of publication	8556
a	17.0108 ± 0.0017 Å
b	19.7941 ± 0.0019 Å
c	16.8614 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	5677.5 ± 1 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	3
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0337
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0724
Weighted residual factors for all reflections included in the refinement	0.0739
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
178685 (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 4/07/96.	4079682.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079682.cif
72524	2013-01-21	cif/ Adding structures of 4079682 via cif-deposit CGI script.	4079682.cif