Crystallography Open Database

Information card for entry 1516974

Preview

Coordinates	1516974.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	UMCM-12
Formula	C98 H68 N2 O26 Zn8
Calculated formula	C98 H68 N2 O26 Zn8
Title of publication	Coordination copolymerization of three carboxylate linkers into a pillared layer framework
Authors of publication	Dutta, Ananya; Wong-Foy, Antek G.; Matzger, Adam J.
Journal of publication	Chemical Science
Year of publication	2014
Journal volume	5
Journal issue	10
Pages of publication	3729
a	24.8949 ± 0.0005 Å
b	42.564 ± 0.003 Å
c	32.7857 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	34741 ± 3 Å³
Cell temperature	95 ± 2 K
Ambient diffraction temperature	95 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0966
Residual factor for significantly intense reflections	0.0651
Weighted residual factors for significantly intense reflections	0.1473
Weighted residual factors for all reflections included in the refinement	0.1525
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516974.cif
123372	2014-09-08	cif/ Updating files of 1516974, 1516975 Original log message: Adding full bibliography for 1516974--1516975.cif.	1516974.cif
119803	2014-07-09	cif/ Adding structures of 1516974, 1516975 via cif-deposit CGI script.	1516974.cif