Crystallography Open Database

Information card for entry 4119581

4119580 << 4119581 >> 4119582

Preview

Coordinates	4119581.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C212 H193.5 Cl8 Fe4 N29.5 O45.5
Calculated formula	C212 H193.5 Cl8 Fe4 N29.5 O45.5
Title of publication	Chain-Reaction Anion Exchange between Metal-Organic Cages
Authors of publication	Shucong Ma; Maarten M. J. Smulders; Yana R. Hristova; Jack K. Clegg; Tanya K. Ronson; Salvatore Zarra; Jonathan R. Nitschke
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	5678 - 5684
a	20.495 ± 0.009 Å
b	25.67 ± 0.012 Å
c	25.757 ± 0.015 Å
α	118.873 ± 0.017°
β	109.64 ± 0.04°
γ	93.55 ± 0.03°
Cell volume	10755 ± 11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1577
Residual factor for significantly intense reflections	0.0915
Weighted residual factors for significantly intense reflections	0.2288
Weighted residual factors for all reflections included in the refinement	0.2801
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4119581.cif
103741	2014-03-06	cif/ Adding structures of 4119581 via cif-deposit CGI script.	4119581.cif