Crystallography Open Database

Information card for entry 7035223

Preview

Coordinates	7035223.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 N8 Ni O6
Calculated formula	C18 H16 N8 Ni O6
SMILES	c12c3[n](cccn3)[Ni]34(OC(=O)C(=O)O4)([n]2cccn1)[n]1cccnc1c1[n]3cccn1.O.O
Title of publication	Towards a better understanding of honeycomb alternating magnetic networks.
Authors of publication	Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Cano, Joan; Julve, Miguel
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	24
Pages of publication	11040 - 11051
a	19.038 ± 0.002 Å
b	8.8357 ± 0.0008 Å
c	15.2941 ± 0.0014 Å
α	90°
β	128.246 ± 0.006°
γ	90°
Cell volume	2020.5 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0298
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.0724
Weighted residual factors for all reflections included in the refinement	0.0745
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
143586 (current)	2015-07-11	cif/ Updating files of 7035221, 7035222, 7035223 Original log message: Adding full bibliography for 7035221--7035223.cif.	7035223.cif
137178	2015-05-22	cif/ Adding structures of 7035221, 7035222, 7035223 via cif-deposit CGI script.	7035223.cif