Crystallography Open Database

Information card for entry 4503701

Preview

Coordinates	4503701.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H47 F Ge7.2 N4 O19.4
Calculated formula	C14 F Ge7.186 N4 O19.372
Title of publication	SU-22 and SU-23: Layered Germanates Built from 4-Coordinated Ge7Clusters Exhibiting Structural Variations on the 44Topology
Authors of publication	Shi, Lei; Bonneau, Charlotte; Li, Yafeng; Sun, Junliang; Yue, Huijuan; Zou, Xiaodong
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	10
Pages of publication	3695
a	13.036 ± 0.003 Å
b	9.4726 ± 0.0019 Å
c	30.814 ± 0.006 Å
α	90°
β	100.03 ± 0.03°
γ	90°
Cell volume	3746.9 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0413
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.1169
Weighted residual factors for all reflections included in the refinement	0.1234
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4503701.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4503701.cif
41721	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503701 via cif-deposit CGI script.	4503701.cif