Crystallography Open Database

Information card for entry 7020999

7020998 << 7020999 >> 7021000

Preview

Coordinates	7020999.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H52 N12 Ni O7 Ru2
Calculated formula	C51 H52 N12 Ni O7 Ru2
Title of publication	The synthesis, structures and magnetic properties of polynuclear Ru(III)-3d (3d = Mn(II/III), Ni(II), Cu(II)) compounds based on [Ru(III)(Q)(2)(CN)(2)](-).
Authors of publication	Xiang, Jing; Jia, Li-Hui; Wang, Bing-Wu; Yiu, Shek-Man; Peng, Shie-Ming; Wong, Wai-Yeung; Gao, Song; Lau, Tai-Chu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	11
Pages of publication	3876 - 3887
a	11.7692 ± 0.0004 Å
b	13.5116 ± 0.0004 Å
c	17.1714 ± 0.0006 Å
α	95.113 ± 0.002°
β	96.982 ± 0.002°
γ	102.153 ± 0.002°
Cell volume	2631.04 ± 0.15 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1041
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1397
Weighted residual factors for all reflections included in the refinement	0.1683
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
179914 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/09.	7020999.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	7020999.cif
75547	2013-03-10	cif/ Adding structures of 7020994, 7020995, 7020996, 7020997, 7020998, 7020999 via cif-deposit CGI script.	7020999.cif