Crystallography Open Database

Information card for entry 4303142

Preview

Coordinates	4303142.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H55 Cl Cr N4 O6.5 S2.5
Calculated formula	C47 H55 Cl Cr N4 O6.5 S2.5
Title of publication	Copolymerization of Epoxides and Carbon Dioxide. Evidence Supporting the Lack of Dual Catalysis at a Single Metal Site
Authors of publication	Donald J. Darensbourg; Shawn B. Fitch
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	8668 - 8677
a	11.54 ± 0.012 Å
b	12.128 ± 0.013 Å
c	17.192 ± 0.018 Å
α	75.31 ± 0.02°
β	89.25 ± 0.02°
γ	77.71 ± 0.02°
Cell volume	2272 ± 4 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2313
Residual factor for significantly intense reflections	0.0951
Weighted residual factors for significantly intense reflections	0.1513
Weighted residual factors for all reflections included in the refinement	0.2033
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4303142.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303142.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303142.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4303142.cif