Crystallography Open Database

Information card for entry 4509493

Preview

Coordinates	4509493.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H18 N4 O4.1 Zn
Calculated formula	C14 H18 N4 O4.1 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	10.745 ± 0.0004 Å
b	12.0948 ± 0.0004 Å
c	12.7678 ± 0.0004 Å
α	90°
β	102.533 ± 0.001°
γ	90°
Cell volume	1619.75 ± 0.1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0357
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0702
Weighted residual factors for all reflections included in the refinement	0.0749
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4509493.cif
97323	2014-01-29	cif/ Adding structures of 4509493 via cif-deposit CGI script.	4509493.cif