Crystallography Open Database

Information card for entry 4509490

Preview

Coordinates	4509490.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H20 N4 O4 Zn
Calculated formula	C15 H20 N4 O4 Zn
Title of publication	Identification of Reaction Conditions That Can Reproducibly Lead to a Particular Vertex Geometry: Quest for a Robust and Reproducible Metal-Carboxylate Noncluster-type SBU
Authors of publication	Basu, Tannistha; Sparkes, Hazel A.; Bhunia, Manas Kumar; Mondal, Raju
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	8
Pages of publication	3488
a	19.2673 ± 0.0007 Å
b	8.3095 ± 0.0003 Å
c	22.2571 ± 0.0013 Å
α	90°
β	96.927 ± 0.001°
γ	90°
Cell volume	3537.4 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0555
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.1005
Weighted residual factors for all reflections included in the refinement	0.1101
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
179630 (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 4/50/94.	4509490.cif
97320	2014-01-29	cif/ Adding structures of 4509490 via cif-deposit CGI script.	4509490.cif