Crystallography Open Database

Information card for entry 4512094

4512093 << 4512094 >> 4512095

Preview

Coordinates	4512094.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H34 Cu N4 O10 S
Calculated formula	C30 H34 Cu N4 O10 S
Title of publication	Influence of Copper(II) and Nickel(II) Ions in the Topology of Systems Based on a Flexible Bis-Oxamate and Bipyridine Building Blocks
Authors of publication	do Pim, Walace D.; Simões, Tatiana R. G.; Oliveira, Willian X. C.; Fernandes, Isabella R. A.; Pinheiro, Carlos B.; Lloret, Francesc; Julve, Miguel; Stumpf, Humberto O.; Pereira, Cynthia L. M.
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	11
Pages of publication	5929
a	13.7575 ± 0.0006 Å
b	15.2378 ± 0.0006 Å
c	15.4772 ± 0.0007 Å
α	90°
β	107.356 ± 0.004°
γ	90°
Cell volume	3096.8 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0977
Residual factor for significantly intense reflections	0.0608
Weighted residual factors for significantly intense reflections	0.1559
Weighted residual factors for all reflections included in the refinement	0.1831
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179667 (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 4/51/20.	4512094.cif
126829	2014-11-11	cif/ Updating files of 4512093, 4512094, 4512095 Original log message: Adding full bibliography for 4512093--4512095.cif.	4512094.cif
124965	2014-10-07	cif/ Adding structures of 4512094 via cif-deposit CGI script.	4512094.cif