Crystallography Open Database

Information card for entry 4512095

4512094 << 4512095 >> 4512096

Preview

Coordinates	4512095.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H44 Cu2 N8 O15
Calculated formula	C56 H44 Cu2 N8 O15
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	23.529 ± 0.003 Å
b	19.2568 ± 0.0006 Å
c	16.5702 ± 0.0019 Å
α	90°
β	134.7 ± 0.02°
γ	90°
Cell volume	5337 ± 2 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	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0754
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1203
Weighted residual factors for all reflections included in the refinement	0.1378
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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.	4512095.cif
126829	2014-11-11	cif/ Updating files of 4512093, 4512094, 4512095 Original log message: Adding full bibliography for 4512093--4512095.cif.	4512095.cif
124966	2014-10-07	cif/ Adding structures of 4512095 via cif-deposit CGI script.	4512095.cif