Crystallography Open Database

Information card for entry 4501015

Preview

Coordinates	4501015.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H76 Co2 N4 O16 S4
Calculated formula	C68 H76 Co2 N4 O16 S4
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	22.6129 ± 0.0003 Å
b	22.6129 ± 0.0003 Å
c	45.2251 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	23125.5 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	142
Hermann-Mauguin space group symbol	I 41/a c d :2
Hall space group symbol	-I 4bd 2c
Residual factor for all reflections	0.0723
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1215
Weighted residual factors for all reflections included in the refinement	0.128
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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.	4501015.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501015.cif
34727	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4501014, 4501015, 4501016, 4501017 via cif-deposit CGI script.	4501015.cif