Crystallography Open Database

Information card for entry 4309194

Preview

Coordinates	4309194.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H20 Al Fe N
Calculated formula	C19 H20 Al Fe N
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	10.3099 ± 0.0006 Å
b	11.6422 ± 0.0009 Å
c	14.0998 ± 0.0009 Å
α	90°
β	106.336 ± 0.007°
γ	90°
Cell volume	1624.1 ± 0.2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.038
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0672
Weighted residual factors for all reflections included in the refinement	0.0704
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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.	4309194.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309194.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309194.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).	4309194.cif