Crystallography Open Database

Information card for entry 4501014

Preview

Coordinates	4501014.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H60 Co2 N2 O12 S4
Calculated formula	C58 H60 Co2 N2 O12 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	14.6467 ± 0.001 Å
b	14.6467 ± 0.001 Å
c	13.7488 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	2949.5 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	85
Hermann-Mauguin space group symbol	P 4/n :2
Hall space group symbol	-P 4a
Residual factor for all reflections	0.0952
Residual factor for significantly intense reflections	0.0773
Weighted residual factors for significantly intense reflections	0.2159
Weighted residual factors for all reflections included in the refinement	0.2269
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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.	4501014.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501014.cif
34727	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4501014, 4501015, 4501016, 4501017 via cif-deposit CGI script.	4501014.cif