Crystallography Open Database

Information card for entry 7111592

Preview

Coordinates	7111592.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H23 Fe3 N5 O13
Calculated formula	C32 H23 Fe3 N5 O13
Title of publication	Biodegradable therapeutic MOFs for the delivery of bioactive molecules
Authors of publication	Miller, Stuart R.; Heurtaux, Daniela; Baati, Tarek; Horcajada, Patricia; Grenèche, Jean-Marc; Serre, Christian
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	25
Pages of publication	4526 - 4528
a	11.064 ± 0.002 Å
b	21.464 ± 0.004 Å
c	19.613 ± 0.003 Å
α	90°
β	122.479 ± 0.008°
γ	90°
Cell volume	3929.1 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.3186
Residual factor for significantly intense reflections	0.1038
Weighted residual factors for significantly intense reflections	0.2396
Weighted residual factors for all reflections included in the refinement	0.3275
Goodness-of-fit parameter for all reflections included in the refinement	0.846
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7111592.cif
96691	2014-01-29	cif/ Adding structures of 7111592 via cif-deposit CGI script.	7111592.cif