Crystallography Open Database

Information card for entry 4078088

Preview

Coordinates	4078088.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69.5 H77.5 Fe6 O Si4
Calculated formula	C69.5 H77.5 Fe6 O Si4
Title of publication	Cubic Octasilsesquioxanes, Cyclotetrasiloxanes, and Disiloxanes Maximally Functionalized with Silicon-Bridged Interacting Triferrocenyl Units
Authors of publication	Bruña, Sonia; Nieto, Daniel; González-Vadillo, Ana M; Perles, Josefina; Cuadrado, Isabel
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	8
Pages of publication	3248
a	15.3608 ± 0.0005 Å
b	16.6451 ± 0.0006 Å
c	18.19 ± 0.001 Å
α	103.746 ± 0.002°
β	104.557 ± 0.002°
γ	111.57 ± 0.002°
Cell volume	3894.8 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1685
Residual factor for significantly intense reflections	0.1152
Weighted residual factors for significantly intense reflections	0.3535
Weighted residual factors for all reflections included in the refinement	0.4033
Goodness-of-fit parameter for all reflections included in the refinement	1.574
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4078088.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078088.cif
57697	2012-05-18	cif/ Adding structures of 4078088 via cif-deposit CGI script.	4078088.cif