Crystallography Open Database

Information card for entry 4504315

Preview

Coordinates	4504315.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H26.02 N28 O8.87 Zn5
Calculated formula	C17 H26.02 N28 O8.87 Zn5
Title of publication	Synthesis and Structural Determination of Four Novel Metal−Organic Frameworks in a Zn−3-Amino-1,2,4-Triazole System
Authors of publication	Park, Hyunsoo; Krigsfeld, Gabriel; Teat, Simon J.; Parise, John B.
Journal of publication	Crystal Growth & Design
Year of publication	2007
Journal volume	7
Journal issue	7
Pages of publication	1343
a	19.2576 ± 0.0009 Å
b	19.2576 ± 0.0009 Å
c	20.2861 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	7523.2 ± 0.9 Å³
Cell temperature	190 ± 2 K
Ambient diffraction temperature	190 ± 2 K
Number of distinct elements	5
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Residual factor for all reflections	0.0579
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1539
Weighted residual factors for all reflections included in the refinement	0.1627
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179578 (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 4/50/43.	4504315.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504315.cif
45047	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4504312, 4504313, 4504314, 4504315 via cif-deposit CGI script.	4504315.cif