Crystallography Open Database

Information card for entry 4501486

Preview

Coordinates	4501486.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Zn2IDSbipy
Formula	C18 H15 N3 O8 Zn2
Calculated formula	C18 H15 N3 O8 Zn2
Title of publication	Nanoporous Amino Acid Derived Material Formed via In-Situ Dimerization of Aspartic Acid
Authors of publication	Gould, Jamie A.; Bacsa, John; Park, Hyunsoo; Claridge, John B.; Fogg, Andrew M.; Ramanathan, Vaidhyanathan; Warren, John E.; Rosseinsky, Matthew J.
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	7
Pages of publication	2977
a	10.0245 ± 0.0004 Å
b	10.8912 ± 0.0004 Å
c	20.7145 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2261.58 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1164
Residual factor for significantly intense reflections	0.1079
Weighted residual factors for significantly intense reflections	0.2707
Weighted residual factors for all reflections included in the refinement	0.2832
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.671 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179545 (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 4/50/14.	4501486.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501486.cif
35947	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501486 via cif-deposit CGI script.	4501486.cif