Crystallography Open Database

Information card for entry 4511386

Preview

Coordinates	4511386.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H17 Cu N O5
Calculated formula	C11 H17 Cu N O5
Title of publication	Topological Diversity of Supramolecular Networks Constructed from Copper(II) Aminoalcohol Blocks and 2,6-Naphthalenedicarboxylate Linkers: Self-Assembly Synthesis, Structural Features, and Magnetic Properties
Authors of publication	Dias, Sara S. P.; André, Vânia; Kłak, Julia; Duarte, M. Teresa; Kirillov, Alexander M.
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	7
Pages of publication	3398
a	12.1134 ± 0.001 Å
b	9.2965 ± 0.0008 Å
c	12.0316 ± 0.001 Å
α	90°
β	100.35 ± 0.002°
γ	90°
Cell volume	1332.86 ± 0.19 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0637
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.0978
Weighted residual factors for all reflections included in the refinement	0.112
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
179660 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/13.	4511386.cif
119039	2014-07-05	cif/ Updating files of 4511386, 4511387, 4511388, 4511389 Original log message: Adding full bibliography for 4511386--4511389.cif.	4511386.cif
117793	2014-06-18	cif/ Adding structures of 4511386 via cif-deposit CGI script.	4511386.cif