Crystallography Open Database

Information card for entry 1513766

Preview

Coordinates	1513766.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H20 Fe Ru Si
Calculated formula	C21 H20 Fe Ru Si
SMILES	[Ru]12345678([c]9([cH]4[cH]3[cH]2[cH]19)[Si]1([c]23[Fe]49%10%11%12%13%14([c]%151[cH]%11[cH]4[cH]9[cH]%10%15)[cH]2[cH]%12[cH]%13[cH]3%14)C)[cH]1[cH]5[cH]6[cH]7[cH]81
Title of publication	Polyferrocenylsilane homopolymers and diblock copolymers with pendant ruthenocenyl groups by photocontrolled ring-opening polymerisation
Authors of publication	Erhard, Maximilian; Lam, Kevin; Haddow, Mairi; Whittell, George R.; Geiger, William E.; Manners, Ian
Journal of publication	Polymer Chemistry
Year of publication	2014
Journal volume	5
Journal issue	4
Pages of publication	1264
a	12.4947 ± 0.0004 Å
b	8.9461 ± 0.0003 Å
c	31.2176 ± 0.0009 Å
α	90°
β	100.039 ± 0.002°
γ	90°
Cell volume	3436.04 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0515
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.1067
Weighted residual factors for all reflections included in the refinement	0.111
Goodness-of-fit parameter for all reflections included in the refinement	1.207
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.	1513766.cif
105771	2014-03-12	cif/ Adding structures of 1513765, 1513766, 1513767 via cif-deposit CGI script.	1513766.cif