Crystallography Open Database

Information card for entry 4324112

Preview

Coordinates	4324112.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	SU-64
Formula	C42 Ge51 N14 O136
Calculated formula	C42 Ge51 N14 O136
Title of publication	Investigation of the GeO2-1,6-Diaminohexane-Water-Pyridine-HF Phase Diagram Leading to the Discovery of Two Novel Layered Germanates with Extra-Large Rings
Authors of publication	Bing Guo; Andrew K. Inge; Charlotte Bonneau; Junliang Sun; Kirsten E. Christensen; Zhong-Yong Yuan; Xiaodong Zou
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	201 - 207
a	12.101 ± 0.004 Å
b	18.113 ± 0.006 Å
c	22.444 ± 0.008 Å
α	87.861 ± 0.011°
β	89.5 ± 0.017°
γ	83.173 ± 0.013°
Cell volume	4881 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1922
Residual factor for significantly intense reflections	0.1296
Weighted residual factors for significantly intense reflections	0.3363
Weighted residual factors for all reflections included in the refinement	0.3799
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179344 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/41.	4324112.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324112.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4324112.cif
24403	2011-08-23	../uploads/cif-deposit/cod/cif Adding structures of 4324112 via cif-deposit CGI script.	4324112.cif