Crystallography Open Database

Information card for entry 4306808

Preview

Coordinates	4306808.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H30 Cl Cr N4
Calculated formula	C26 H30 Cl Cr N4
SMILES	[Cr]123(Cl)[N]4c5c(N3C(=CC(=[N]1c1c(N2C(=CC=4C)C)cc(c(c1)C)C)C)C)cc(C)c(c5)C
Title of publication	An Exploration of the Coupling Reactions of Epoxides and Carbon Dioxide Catalyzed by Tetramethyltetraazaannulene Chromium(III) Derivatives: Formation of Copolymers versus Cyclic Carbonates
Authors of publication	Donald J. Darensbourg; Shawn B. Fitch
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	11868 - 11878
a	8.974 ± 0.011 Å
b	12.227 ± 0.015 Å
c	13.15 ± 0.016 Å
α	79.57 ± 0.02°
β	75.63 ± 0.02°
γ	76.14 ± 0.02°
Cell volume	1346 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.2187
Residual factor for significantly intense reflections	0.08
Weighted residual factors for significantly intense reflections	0.1179
Weighted residual factors for all reflections included in the refinement	0.1574
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179106 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/68.	4306808.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4306808.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4306808.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4306808.cif