Crystallography Open Database

Information card for entry 4339865

Preview

Coordinates	4339865.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H47 Al Ge N2 Se2
Calculated formula	C31 H47 Al Ge N2 Se2
SMILES	[Al]12([Se][Ge]([Se]1)(C)C)N(C(=CC(=[N]2c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Synthesis and characterization of well-defined aluminum-containing heterobimetallic selenides.
Authors of publication	Yang, Zhi; Ma, Xiaoli; Roesky, Herbert W.; Yang, Ying; Magull, Jörg; Ringe, Arne
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	17
Pages of publication	7093 - 7096
a	11.9939 ± 0.001 Å
b	17.4552 ± 0.0009 Å
c	16.0281 ± 0.0013 Å
α	90°
β	90.686 ± 0.006°
γ	90°
Cell volume	3355.3 ± 0.4 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0463
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.063
Weighted residual factors for all reflections included in the refinement	0.0667
Goodness-of-fit parameter for all reflections included in the refinement	0.963
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
179501 (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 4/33/98.	4339865.cif
117590	2014-06-15	cif/ Adding structures of 4339865 via cif-deposit CGI script.	4339865.cif