Crystallography Open Database

Information card for entry 4106312

Preview

Coordinates	4106312.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H73 B F24 Fe N2 O3 P2 Y
Calculated formula	C90 H73 B F24 Fe N2 O3 P2 Y
Title of publication	Redox Control of a Ring-Opening Polymerization Catalyst
Authors of publication	Erin M. Broderick; Neng Guo; Carola S. Vogel; Cuiling Xu; Jörg Sutter; Jeffrey T. Miller; Karsten Meyer; Parisa Mehrkhodavandi; Paula L. Diaconescu
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	9278 - 9281
a	13.7 ± 0.003 Å
b	13.994 ± 0.003 Å
c	25.058 ± 0.005 Å
α	83.971 ± 0.002°
β	86.904 ± 0.002°
γ	88.474 ± 0.002°
Cell volume	4769.5 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0836
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1553
Weighted residual factors for all reflections included in the refinement	0.1684
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
178809 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/63.	4106312.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106312.cif
53110	2012-04-17	cif/ Adding structures of 4106312 via cif-deposit CGI script.	4106312.cif