Crystallography Open Database

Information card for entry 7031647

Preview

Coordinates	7031647.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 Br N2 Ni O4
Calculated formula	C18 H16 Br N2 Ni O4
Title of publication	Cation-size-controlled assembly of the Ni(Ac)2-1,4-H2NDC system: geminal dicationic ionothermal syntheses, crystal structures and magnetic properties.
Authors of publication	An, Bing; Bai, Yan; Wang, Jun-Li; Dang, Dong-Bin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	34
Pages of publication	12828
a	10.0037 ± 0.0005 Å
b	15.4731 ± 0.0008 Å
c	11.1313 ± 0.0006 Å
α	90°
β	92.14 ± 0.001°
γ	90°
Cell volume	1721.79 ± 0.15 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0521
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0956
Weighted residual factors for all reflections included in the refinement	0.1004
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180022 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/16.	7031647.cif
121676	2014-08-08	cif/ Updating files of 7031646, 7031647, 7031648, 7031649 Original log message: Adding full bibliography for 7031646--7031649.cif.	7031647.cif
120475	2014-07-16	cif/ Adding structures of 7031646, 7031647, 7031648, 7031649 via cif-deposit CGI script.	7031647.cif