Crystallography Open Database

Information card for entry 4316885

Preview

Coordinates	4316885.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H45 Ge11 N3 O28
Calculated formula	C12 H45 Ge11 N3 O28
Title of publication	PKU-10: A New 3D Open-Framework Germanate with 13-Ring Channels
Authors of publication	Jie Su; Yingxia Wang; Zheming Wang; Fuhui Liao; Jianhua Lin
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	9765 - 9769
a	12.4827 ± 0.0012 Å
b	17.3115 ± 0.0014 Å
c	18.5392 ± 0.0021 Å
α	90°
β	90°
γ	90°
Cell volume	4006.2 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0578
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1014
Weighted residual factors for all reflections included in the refinement	0.1067
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
179248 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/68.	4316885.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316885.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316885.cif
10397	2011-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4316885 via cif-deposit CGI script.	4316885.cif