Crystallography Open Database

Information card for entry 4507435

Preview

Coordinates	4507435.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H28 N3 O6 Zn
Calculated formula	C19 H28 N3 O6 Zn
Title of publication	Kinetic water stability of an isostructural family of zinc-based pillared metal-organic frameworks.
Authors of publication	Jasuja, Himanshu; Burtch, Nicholas C.; Huang, You-Gui; Cai, Yang; Walton, Krista S.
Journal of publication	Langmuir : the ACS journal of surfaces and colloids
Year of publication	2013
Journal volume	29
Journal issue	2
Pages of publication	633 - 642
a	21.624 ± 0.009 Å
b	21.624 ± 0.009 Å
c	38.385 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	17949 ± 11 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	142
Hermann-Mauguin space group symbol	I 41/a c d :2
Hall space group symbol	-I 4bd 2c
Residual factor for all reflections	0.0625
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.14
Weighted residual factors for all reflections included in the refinement	0.1503
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
179610 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/74.	4507435.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4507435.cif
73988	2013-02-21	cif/ Adding structures of 4507435 via cif-deposit CGI script.	4507435.cif