Crystallography Open Database

Information card for entry 4104581

Preview

Coordinates	4104581.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	bio-MOF-1
Formula	C104 H64 N20 O25 Zn8
Calculated formula	C104 H64 N20 O25 Zn8
Title of publication	Cation-Triggered Drug Release from a Porous Zinc-Adeninate Metal-Organic Framework
Authors of publication	Jihyun An; Steven J. Geib; Nathaniel L. Rosi
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	8376 - 8377
a	38.237 ± 0.002 Å
b	38.237 ± 0.002 Å
c	11.1753 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	16339 ± 2 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	98
Hermann-Mauguin space group symbol	I 41 2 2
Hall space group symbol	I 4bw 2bw
Residual factor for all reflections	0.1267
Residual factor for significantly intense reflections	0.094
Weighted residual factors for significantly intense reflections	0.2376
Weighted residual factors for all reflections included in the refinement	0.2501
Goodness-of-fit parameter for all reflections included in the refinement	1.528
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178791 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/45.	4104581.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104581.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104581.cif
29607	2011-11-04	../uploads/cif-deposit/cod/cif Adding structures of 4104581 via cif-deposit CGI script.	4104581.cif