Crystallography Open Database

Information card for entry 4085511

Preview

Coordinates	4085511.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H27 Fe N Si3
Calculated formula	C16 H27 Fe N Si3
SMILES	[c]123[cH]4[cH]5[cH]6[cH]1[Fe]17892456[c]2([cH]1[cH]7[cH]8[cH]92)[SiH]3N([Si](C)(C)C)[Si](C)(C)C
Title of publication	Tuning the Polymerization Behavior of Silicon-Bridged [1]Ferrocenophanes Using Bulky Substituents
Authors of publication	Musgrave, Rebecca A.; Russell, Andrew D.; Whittell, George R.; Haddow, Mairi F.; Manners, Ian
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	5
Pages of publication	897
a	7.5071 ± 0.0004 Å
b	11.2684 ± 0.0005 Å
c	21.8034 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	1844.42 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1029
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.0906
Weighted residual factors for all reflections included in the refinement	0.1024
Goodness-of-fit parameter for all reflections included in the refinement	0.992
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
178744 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/55.	4085511.cif
134862	2015-04-04	cif/ Updating files of 4085510, 4085511, 4085512 Original log message: Adding full bibliography for 4085510--4085512.cif.	4085511.cif
131853	2015-02-14	cif/ Adding structures of 4085510, 4085511, 4085512 via cif-deposit CGI script.	4085511.cif