Crystallography Open Database

Information card for entry 4501016

Preview

Coordinates	4501016.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144 H172 Co3 N12 Na2 O38 S8
Calculated formula	C144 H164 Co3 N12 Na2 O38 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	12.7259 ± 0.0002 Å
b	36.7932 ± 0.0006 Å
c	20.4626 ± 0.0004 Å
α	90°
β	116.104 ± 0.001°
γ	90°
Cell volume	8603.8 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1184
Residual factor for significantly intense reflections	0.0748
Weighted residual factors for significantly intense reflections	0.2205
Weighted residual factors for all reflections included in the refinement	0.2547
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
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.	4501016.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501016.cif
34727	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4501014, 4501015, 4501016, 4501017 via cif-deposit CGI script.	4501016.cif