Crystallography Open Database

Information card for entry 4071106

Preview

Coordinates	4071106.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32.5 H16 N1.5 O11.5 Si Zn2
Calculated formula	C32.5 H16 N1.5 O11.5 Si Zn2
Title of publication	Metal−Organic Frameworks from Silicon- and Germanium-Centered Tetrahedral Ligands
Authors of publication	Lambert, Joseph B.; Liu, Zhongqiang; Liu, Chunqing
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	7
Pages of publication	1464
a	12.4868 ± 0.0007 Å
b	13.0255 ± 0.0007 Å
c	23.7555 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	3863.8 ± 0.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.0633
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.1802
Weighted residual factors for all reflections included in the refinement	0.1906
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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.	4071106.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071106.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071106.cif
43046	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071106 via cif-deposit CGI script.	4071106.cif