Crystallography Open Database

Information card for entry 4501017

Preview

Coordinates	4501017.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H166 Cd4 N8 O32 S8
Calculated formula	C120 H166 Cd4 N8 O32 S8
Title of publication	Thiacalix[4]arene-Based Three-Dimensional Coordination Polymers Incorporating Neutral Bridging Coligands
Authors of publication	Kim, Kihwan; Park, Sunhong; Park, Ki-Min; Lee, Shim Sung
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	9
Pages of publication	4059
a	20.3454 ± 0.0016 Å
b	14.9971 ± 0.0012 Å
c	22.4622 ± 0.0017 Å
α	90°
β	103.852 ± 0.005°
γ	90°
Cell volume	6654.4 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1917
Residual factor for significantly intense reflections	0.0758
Weighted residual factors for significantly intense reflections	0.1708
Weighted residual factors for all reflections included in the refinement	0.234
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
179541 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/10.	4501017.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501017.cif
34727	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4501014, 4501015, 4501016, 4501017 via cif-deposit CGI script.	4501017.cif