Crystallography Open Database

Information card for entry 4326738

Preview

Coordinates	4326738.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	UMCM-1-AMPent-T1
Formula	C46 H0 N O13 Zn4
Calculated formula	C46 N O13 Zn4
Title of publication	Tandem Postsynthetic Modification of Metal-Organic Frameworks Using an Inverse-Electron-Demand Diels-Alder Reaction
Authors of publication	Chao Chen; Corinne A. Allen; Seth M. Cohen
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	10534 - 10536
a	40.9234 ± 0.0003 Å
b	40.9234 ± 0.0003 Å
c	17.3329 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	25138.8 ± 0.5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.0873
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1424
Weighted residual factors for all reflections included in the refinement	0.1533
Goodness-of-fit parameter for all reflections included in the refinement	0.938
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
179370 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/67.	4326738.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326738.cif
49512	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4326738 via cif-deposit CGI script.	4326738.cif