Crystallography Open Database

Information card for entry 4001300

Preview

Coordinates	4001300.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H34 N14 O13 Zn4
Calculated formula	C38 H34 N14 O13 Zn4
Title of publication	Synthesis, Structure Determination, and Hydrogen Sorption Studies of New Metal−Organic Frameworks Using Triazole and Naphthalenedicarboxylic Acid
Authors of publication	Park, Hyunsoo; Britten, James F.; Mueller, Ulrich; Lee, JeongYong; Li, Jing; Parise, John B.
Journal of publication	Chemistry of Materials
Year of publication	2007
Journal volume	19
Journal issue	6
Pages of publication	1302
a	13.609 ± 0.002 Å
b	27.181 ± 0.005 Å
c	13.617 ± 0.003 Å
α	90°
β	92.463 ± 0.012°
γ	90°
Cell volume	5032.4 ± 1.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.265
Residual factor for significantly intense reflections	0.1033
Weighted residual factors for significantly intense reflections	0.2347
Weighted residual factors for all reflections included in the refinement	0.2742
Goodness-of-fit parameter for all reflections included in the refinement	0.942
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001300.cif
120073	2014-07-11	Adding DOIs to range 4/00 structures.	4001300.cif
45169	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4001300, 4001301 via cif-deposit CGI script.	4001300.cif