Crystallography Open Database

Information card for entry 4123399

Preview

Coordinates	4123399.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C174 H120 Cd4 Co2 F24 N18 O24 S8
Calculated formula	C174 H120 Cd4 Co2 F24 N18 O24 S8
Title of publication	Cooperative loading and release behavior of a metal-organic receptor.
Authors of publication	Gan, Quan; Ronson, Tanya K.; Vosburg, David A.; Thoburn, John D.; Nitschke, Jonathan R.
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	5
Pages of publication	1770 - 1773
a	39.838 ± 0.0019 Å
b	18.8938 ± 0.0008 Å
c	33.233 ± 0.0016 Å
α	90°
β	126.262 ± 0.002°
γ	90°
Cell volume	20169.5 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1504
Residual factor for significantly intense reflections	0.1301
Weighted residual factors for significantly intense reflections	0.3459
Weighted residual factors for all reflections included in the refinement	0.3659
Goodness-of-fit parameter for all reflections included in the refinement	1.182
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179035 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/33.	4123399.cif
132909	2015-03-04	cif/ Updating files of 4123396, 4123397, 4123398, 4123399 Original log message: Adding full bibliography for 4123396--4123399.cif.	4123399.cif
130620	2015-02-04	cif/ Adding structures of 4123399 via cif-deposit CGI script.	4123399.cif