Crystallography Open Database

Information card for entry 7201342

7201341 << 7201342 >> 7201343

Preview

Coordinates	7201342.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H12 N6 Ni O6
Calculated formula	C8 H12 N6 Ni O6
Title of publication	Interconversion of two new nickel(II) coordination polymers with different topologies: synthesis, structure and magnetic properties
Authors of publication	Hu, Bo-Wen; Zhao, Jiong-Peng; Yang, Qian; Liu, Fu-Chen; Bu, Xian-He
Journal of publication	Journal of Materials Chemistry
Year of publication	2009
Journal volume	19
Journal issue	37
Pages of publication	6827
a	7.6673 ± 0.0015 Å
b	12.559 ± 0.003 Å
c	7.9117 ± 0.0016 Å
α	90°
β	118.58 ± 0.03°
γ	90°
Cell volume	669 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0348
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0739
Weighted residual factors for all reflections included in the refinement	0.076
Goodness-of-fit parameter for all reflections included in the refinement	1.133
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
180344 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/13.	7201342.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7201342.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7201342.cif
31985	2012-01-04	cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'.	7201342.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7201342.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7201342.cif