Crystallography Open Database

Information card for entry 4101638

Preview

Coordinates	4101638.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56.57 H58.44 I6 N12 O0.56 Zn3
Calculated formula	C55.662 H56.592 I6 N12 O0.561 Zn3
Title of publication	A porous coordination network catalyzes an olefin isomerization reaction in the pore.
Authors of publication	Ohara, Kazuaki; Kawano, Masaki; Inokuma, Yasuhide; Fujita, Makoto
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Journal issue	1
Pages of publication	30 - 31
a	35.441 ± 0.009 Å
b	14.902 ± 0.004 Å
c	30.925 ± 0.011 Å
α	90°
β	102.795 ± 0.011°
γ	90°
Cell volume	15927 ± 8 Å³
Cell temperature	80 ± 2 K
Ambient diffraction temperature	80 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1388
Residual factor for significantly intense reflections	0.0684
Weighted residual factors for significantly intense reflections	0.1728
Weighted residual factors for all reflections included in the refinement	0.2215
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
178762 (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 4/10/16.	4101638.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4101638.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4101638.cif
21863	2011-06-29	../uploads/cif-deposit/cod/cif Adding structures of 4101638 via cif-deposit CGI script.	4101638.cif