Crystallography Open Database

Information card for entry 4119580

4119579 << 4119580 >> 4119581

Preview

Coordinates	4119580.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C199 H166.5 B8 F32 Fe4 N27.5 O12
Calculated formula	C199 H166.5 B4 F16 Fe4 N27.5 O12
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	27.191 ± 0.011 Å
b	39.825 ± 0.015 Å
c	20.852 ± 0.008 Å
α	90°
β	96.369 ± 0.003°
γ	90°
Cell volume	22441 ± 15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1613
Residual factor for significantly intense reflections	0.131
Weighted residual factors for significantly intense reflections	0.3031
Weighted residual factors for all reflections included in the refinement	0.3206
Goodness-of-fit parameter for all reflections included in the refinement	1.487
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4119580.cif
103740	2014-03-06	cif/ Adding structures of 4119580 via cif-deposit CGI script.	4119580.cif