Crystallography Open Database

Information card for entry 4076322

Preview

Coordinates	4076322.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H39 Co O9
Calculated formula	C46 H34 Co O9
Title of publication	Shape Takes the Lead: Templating Organic 3D-Frameworks around Organometallic Sandwich Compounds
Authors of publication	Braga, Dario; d’Agostino, Simone; Grepioni, Fabrizia
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	5
Pages of publication	1688
a	12.948 ± 0.003 Å
b	32.013 ± 0.003 Å
c	9.058 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3754.6 ± 1.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.1129
Residual factor for significantly intense reflections	0.0864
Weighted residual factors for significantly intense reflections	0.2495
Weighted residual factors for all reflections included in the refinement	0.2866
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
178652 (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 4/07/63.	4076322.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4076322.cif
51926	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4076321, 4076322, 4076323, 4076324, 4076325, 4076326, 4076327 via cif-deposit CGI script.	4076322.cif