Crystallography Open Database

Information card for entry 4120254

4120253 << 4120254 >> 4120255

Preview

Coordinates	4120254.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	bio-MOF-101
Formula	C46 H26 N10 O13 Zn4
Calculated formula	C46 H26 N10 O13 Zn4
Title of publication	Stepwise Ligand Exchange for the Preparation of a Family of Mesoporous MOFs
Authors of publication	Tao Li; Mark T. Kozlowski; Evan A. Doud; Maike N. Blakely; Nathaniel L. Rosi
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	11688 - 11691
a	62.039 ± 0.005 Å
b	62.039 ± 0.005 Å
c	62.039 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	238778 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	230
Hermann-Mauguin space group symbol	I a -3 d
Hall space group symbol	-I 4bd 2c 3
Residual factor for all reflections	0.066
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1678
Weighted residual factors for all reflections included in the refinement	0.1757
Goodness-of-fit parameter for all reflections included in the refinement	1.171
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178979 (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 4/12/02.	4120254.cif
105914	2014-03-14	cif/ Adding structures of 4120254 via cif-deposit CGI script.	4120254.cif