Crystallography Open Database

Information card for entry 4073579

Preview

Coordinates	4073579.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H76 Cr2 Li4 O7
Calculated formula	C52 H76 Cr2 Li4 O7
Title of publication	Transition-Metal-Catalyzed Bis-Silylation of Propyne by [2]Chromoarenophanes
Authors of publication	Braunschweig, Holger; Kupfer, Thomas
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	18
Pages of publication	4634
a	10.1815 ± 0.0004 Å
b	12.3894 ± 0.0005 Å
c	19.291 ± 0.0007 Å
α	93.776 ± 0.002°
β	90.841 ± 0.002°
γ	93.436 ± 0.002°
Cell volume	2423.35 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	95 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1134
Residual factor for significantly intense reflections	0.0727
Weighted residual factors for significantly intense reflections	0.1796
Weighted residual factors for all reflections included in the refinement	0.2116
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4073579.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073579.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073579.cif
46427	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073577, 4073578, 4073579 via cif-deposit CGI script.	4073579.cif