Crystallography Open Database

Information card for entry 4331823

Preview

Coordinates	4331823.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H40 Fe2 Ga2 N2
Calculated formula	C38 H40 Fe2 Ga2 N2
SMILES	[cH]12[c]34[cH]5[cH]6[cH]1[Fe]17892356[cH]2[cH]1[cH]7[cH]8[c]92[Ga]1(c2ccccc2C[N]1(C)C)[c]12[cH]3[cH]5[cH]6[cH]1[Fe]17892356[cH]2[cH]1[cH]7[cH]8[c]92[Ga]14c2ccccc2C[N]1(C)C
Title of publication	Synthesis, Characterization, and Electrochemical Studies on [1.1]Ferrocenophanes Containing Aluminum, Gallium, and Indium
Authors of publication	Schachner, Jörg A.; Orlowski, Grzegorz A.; Quail, J. Wilson; Kraatz, Heinz-Bernhard; Müller, Jens
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	1
Pages of publication	454 - 459
a	10.3467 ± 0.0005 Å
b	11.6311 ± 0.0004 Å
c	14.0747 ± 0.0007 Å
α	90°
β	105.931 ± 0.002°
γ	90°
Cell volume	1628.74 ± 0.13 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0818
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.0732
Weighted residual factors for all reflections included in the refinement	0.0862
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179421 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/18.	4331823.cif
97925	2014-01-29	cif/ Adding structures of 4331823, 4331824 via cif-deposit CGI script.	4331823.cif