Crystallography Open Database

Information card for entry 4104102

Preview

Coordinates	4104102.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H48 F10 N8 O11 Zn3
Calculated formula	C82 H48 F10 N8 O11 Zn3
Title of publication	A Catalytically Active, Permanently Microporous MOF with Metalloporphyrin Struts
Authors of publication	Abraham M. Shultz; Omar K. Farha; Joseph T. Hupp; SonBinh T. Nguyen
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	4204 - 4205
a	11.569 ± 0.013 Å
b	15.447 ± 0.016 Å
c	21.19 ± 0.02 Å
α	76.794 ± 0.012°
β	79.025 ± 0.014°
γ	89.615 ± 0.011°
Cell volume	3617 ± 7 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	0.2097
Residual factor for significantly intense reflections	0.1095
Weighted residual factors for significantly intense reflections	0.3315
Weighted residual factors for all reflections included in the refinement	0.3818
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
178787 (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 4/10/41.	4104102.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104102.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104102.cif
28610	2011-10-30	../uploads/cif-deposit/cod/cif Adding structures of 4104102 via cif-deposit CGI script.	4104102.cif