Crystallography Open Database

Information card for entry 4308299

Preview

Coordinates	4308299.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H60 Ba N2 O5
Calculated formula	C44 H60 Ba N2 O5
SMILES	[Ba](N(c1ccccc1)c1ccccc1)(N(c1ccccc1)c1ccccc1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.O1CCCC1
Title of publication	Syntheses and Structures of Alkaline Earth Metal Bis(diphenylamides)
Authors of publication	Martin Gärtner; Reinald Fischer; Jens Langer; Helmar Görls; Dirk Walther; Matthias Westerhausen
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	5118 - 5124
a	19.5613 ± 0.0011 Å
b	11.9298 ± 0.0004 Å
c	9.1896 ± 0.0005 Å
α	90°
β	93.622 ± 0.002°
γ	90°
Cell volume	2140.22 ± 0.18 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0452
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.0902
Weighted residual factors for all reflections included in the refinement	0.0922
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
179120 (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 4/30/82.	4308299.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308299.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308299.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4308299.cif