Crystallography Open Database

Information card for entry 4338860

Preview

Coordinates	4338860.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H58 Ba2 N4 O4.25
Calculated formula	C41 H58 Ba2 N4 O4.25
Title of publication	Synthesis and molecular structures of phenylamides of magnesium, calcium, strontium, and barium‒from molecular to polymeric structures.
Authors of publication	Gärtner, Martin; Görls, Helmar; Westerhausen, Matthias
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	18
Pages of publication	7678 - 7683
a	12.0064 ± 0.0007 Å
b	14.4655 ± 0.0007 Å
c	14.7707 ± 0.0009 Å
α	99.935 ± 0.003°
β	103.939 ± 0.003°
γ	98.784 ± 0.003°
Cell volume	2401.3 ± 0.2 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0936
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1407
Weighted residual factors for all reflections included in the refinement	0.1643
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179491 (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 4/33/88.	4338860.cif
116969	2014-06-14	cif/ Adding structures of 4338858, 4338859, 4338860 via cif-deposit CGI script.	4338860.cif