Crystallography Open Database

Information card for entry 4123398

Preview

Coordinates	4123398.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C190 H136 Cd4 Co2 F48 N30 O33 S16
Calculated formula	C185.475 H132 Cd4 Co2 F34.05 N27.55 O24.1 S11.475
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	24.435 ± 0.002 Å
b	28.08 ± 0.002 Å
c	37.608 ± 0.003 Å
α	90.018 ± 0.004°
β	99.198 ± 0.004°
γ	106.888 ± 0.003°
Cell volume	24344 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1683
Residual factor for significantly intense reflections	0.1325
Weighted residual factors for significantly intense reflections	0.3459
Weighted residual factors for all reflections included in the refinement	0.3724
Goodness-of-fit parameter for all reflections included in the refinement	1.213
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.	4123398.cif
132909	2015-03-04	cif/ Updating files of 4123396, 4123397, 4123398, 4123399 Original log message: Adding full bibliography for 4123396--4123399.cif.	4123398.cif
130618	2015-02-04	cif/ Adding structures of 4123398 via cif-deposit CGI script.	4123398.cif