Crystallography Open Database

Information card for entry 4308297

Preview

Coordinates	4308297.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H40 Ca N2 O4
Calculated formula	C32 H40 Ca N2 O4
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	24.9375 ± 0.0008 Å
b	17.2162 ± 0.0005 Å
c	18.4757 ± 0.0006 Å
α	90°
β	129.216 ± 0.002°
γ	90°
Cell volume	6145.6 ± 0.4 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0792
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.099
Weighted residual factors for all reflections included in the refinement	0.1144
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
301836 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure.	4308297.cif
179120	2016-03-22	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.	4308297.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308297.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308297.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4308297.cif