Crystallography Open Database

Information card for entry 4309003

Preview

Coordinates	4309003.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H66 Ge N2 O14
Calculated formula	C36 H66 Ge N2 O14
Title of publication	Behavior of Tri(n-butyl)ammonium Bis[citrato(3-)-O1,O3,O6]silicate in Aqueous Solution: Analysis of a Sol-Gel Process by Small-Angle Neutron Scattering
Authors of publication	Oliver Seiler; Christian Burschka; Dietmar Schwahn; Reinhold Tacke
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	2318 - 2325
a	10.7426 ± 0.0009 Å
b	15.6919 ± 0.0008 Å
c	25.024 ± 0.002 Å
α	90°
β	96.796 ± 0.01°
γ	90°
Cell volume	4188.7 ± 0.5 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.038
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0786
Weighted residual factors for all reflections included in the refinement	0.0811
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
179128 (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 4/30/90.	4309003.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309003.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309003.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309003.cif