Crystallography Open Database

Information card for entry 1515750

Preview

Coordinates	1515750.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H20 Fe Si2
Calculated formula	C16 H20 Fe Si2
SMILES	[Fe]123456789[c]%10([cH]4[cH]6[cH]2[cH]8%10)[Si](C#C[Si](C)(C)C)([c]25[cH]3[cH]1[cH]9[cH]72)C
Title of publication	Organic-metalloblock copolymers via photocontrolled living anionic ring-opening polymerization
Authors of publication	Chabanne, Laurent; Matas, Inmaculada; Patra, Sanjib K.; Manners, Ian
Journal of publication	Polymer Chemistry
Year of publication	2011
Journal volume	2
Journal issue	11
Pages of publication	2651
a	11.043 ± 0.003 Å
b	13.2414 ± 0.0015 Å
c	13.5068 ± 0.0015 Å
α	119.056 ± 0.002°
β	94.309 ± 0.002°
γ	102.937 ± 0.002°
Cell volume	1643 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.034
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0826
Weighted residual factors for all reflections included in the refinement	0.0974
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515750.cif
112002	2014-04-28	cif/ Adding structures of 1515750 via cif-deposit CGI script.	1515750.cif