Crystallography Open Database

Information card for entry 4071728

Preview

Coordinates	4071728.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H60 Cl4 In2 N2 Si6
Calculated formula	C22 H60 Cl4 In2 N2 Si6
Title of publication	The Dynamic Indium-Bridged [1.1]Ferrocenophane [(Me2Ntsi)In(C5H4)2Fe]2
Authors of publication	Schachner, Jörg A.; Lund, Clinton L.; Burgess, Ian J.; Quail, J. Wilson; Schatte, Gabriele; Müller, Jens
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	18
Pages of publication	4703
a	11.0773 ± 0.0004 Å
b	12.7834 ± 0.0005 Å
c	14.8553 ± 0.0005 Å
α	83.17 ± 0.003°
β	89.9 ± 0.003°
γ	79.024 ± 0.002°
Cell volume	2049.99 ± 0.13 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0697
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.1143
Weighted residual factors for all reflections included in the refinement	0.125
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
178606 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/17.	4071728.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071728.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071728.cif
44002	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071728, 4071729, 4071730 via cif-deposit CGI script.	4071728.cif