Crystallography Open Database

Information card for entry 4506377

Preview

Coordinates	4506377.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C1.46 H7.32 Ge13.54 N1.46 O40 Si4.46
Calculated formula	C1.464 H7.32 Ge13.5395 N1.464 O40 Si4.4614
Title of publication	A Stacking Faults-Containing Silicogermanate with 24-Ring Channels and UnbranchedZweierSilica Double Chains
Authors of publication	Tang, Liqiu; Ren, Xiaoyan; Inge, A. Ken; Willhammar, Tom; Grüner, Daniel; Yu, Jihong; Zou, Xiaodong
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	7
Pages of publication	3714
a	35.625 ± 0.007 Å
b	28.58 ± 0.006 Å
c	10.403 ± 0.002 Å
α	90°
β	98.3 ± 0.03°
γ	90°
Cell volume	10481 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.1255
Residual factor for significantly intense reflections	0.0885
Weighted residual factors for significantly intense reflections	0.2511
Weighted residual factors for all reflections included in the refinement	0.2785
Goodness-of-fit parameter for all reflections included in the refinement	0.989
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
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.	4506377.cif
113363	2014-05-11	cif/ Updating files of 4506377 Original log message: Adding full bibliography for 4506377.cif.	4506377.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506377.cif
62255	2012-07-07	cif/ Adding structures of 4506377 via cif-deposit CGI script.	4506377.cif