Crystallography Open Database

Information card for entry 4123396

Preview

Coordinates	4123396.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C200 H138 Cd4 Co2 F24 N24 O26 S8
Calculated formula	C200 H138 Cd4 Co2 F24 N24 O27 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	11.8627 ± 0.0011 Å
b	21.3198 ± 0.0018 Å
c	22.347 ± 0.002 Å
α	111.383 ± 0.005°
β	102.126 ± 0.005°
γ	100.709 ± 0.005°
Cell volume	4926.9 ± 0.8 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	0.1302
Residual factor for significantly intense reflections	0.1066
Weighted residual factors for significantly intense reflections	0.2842
Weighted residual factors for all reflections included in the refinement	0.3094
Goodness-of-fit parameter for all reflections included in the refinement	1.351
Diffraction radiation wavelength	0.6889 Å
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.	4123396.cif
132909	2015-03-04	cif/ Updating files of 4123396, 4123397, 4123398, 4123399 Original log message: Adding full bibliography for 4123396--4123399.cif.	4123396.cif
130614	2015-02-04	cif/ Adding structures of 4123396 via cif-deposit CGI script.	4123396.cif