Crystallography Open Database

Information card for entry 4303143

Preview

Coordinates	4303143.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H39 Cl3 N4 O4
Calculated formula	C45 H39 Cl3 N4 O4
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	12.699 ± 0.003 Å
b	22.317 ± 0.005 Å
c	14.771 ± 0.004 Å
α	90°
β	110.666 ± 0.003°
γ	90°
Cell volume	3916.8 ± 1.7 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1783
Residual factor for significantly intense reflections	0.0645
Weighted residual factors for significantly intense reflections	0.1204
Weighted residual factors for all reflections included in the refinement	0.1332
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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179069 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/31.	4303143.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303143.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303143.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4303143.cif