Crystallography Open Database

Information card for entry 4309193

Preview

Coordinates	4309193.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H48 Al3 Fe3
Calculated formula	C45 H48 Al3 Fe3
Title of publication	Ferrocenylalanes: Solid-State and Solution Structures of Some New Aluminum-Bridged ansa-Ferrocenes
Authors of publication	Holger Braunschweig; Christian Burschka; Guy K. B. Clentsmith; Thomas Kupfer; Krzysztof Radacki
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	4906 - 4908
a	11.104 ± 0.004 Å
b	12.786 ± 0.004 Å
c	13.625 ± 0.005 Å
α	84.909 ± 0.005°
β	75.133 ± 0.005°
γ	88.457 ± 0.006°
Cell volume	1862.3 ± 1.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0374
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0956
Weighted residual factors for all reflections included in the refinement	0.0975
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
179129 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/91.	4309193.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309193.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309193.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309193.cif