Crystallography Open Database

Information card for entry 4501114

Preview

Coordinates	4501114.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H28 N2 O13 Zn
Calculated formula	C14 H28 N2 O13 Zn
Title of publication	Influence of Metal Ion on Structural Motif in Coordination Polymers of the Pseudopeptidic Ligand Terephthaloyl-bis-beta-alaninate
Authors of publication	Morrison, Christine N.; Powell, Annie K.; Kostakis, George E.
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	8
Pages of publication	3653
a	9.6718 ± 0.0012 Å
b	9.9337 ± 0.0012 Å
c	12.0896 ± 0.0016 Å
α	78.799 ± 0.01°
β	68.774 ± 0.009°
γ	73.441 ± 0.01°
Cell volume	1032.4 ± 0.2 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0436
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0597
Weighted residual factors for all reflections included in the refinement	0.0625
Goodness-of-fit parameter for all reflections included in the refinement	0.987
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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