Crystallography Open Database

Information card for entry 4068311

Preview

Coordinates	4068311.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H8 Cd N O7 S
Calculated formula	C17 H8 Cd N O7 S
Title of publication	Metal-Organic Frameworks from Dipodal and Tripodal Silicon-Centered Tetrahedral Ligands
Authors of publication	Liu, Zhongqiang; Stern, Charlotte L.; Lambert, Joseph B.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	1
Pages of publication	84
a	11.7 ± 0.003 Å
b	22.747 ± 0.006 Å
c	7.664 ± 0.002 Å
α	90°
β	124.775 ± 0.003°
γ	90°
Cell volume	1675.4 ± 0.8 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0648
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for significantly intense reflections	0.1439
Weighted residual factors for all reflections included in the refinement	0.1462
Goodness-of-fit parameter for all reflections included in the refinement	1.161
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
178573 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/83.	4068311.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068311.cif
39643	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068310, 4068311, 4068312, 4068313, 4068314, 4068315 via cif-deposit CGI script.	4068311.cif