Crystallography Open Database

Information card for entry 8103178

Preview

Coordinates	8103178.cif

Structure parameters

Chemical name	bis[bisaqua-bis(2,2'-bipyridine) nickel(ii)]- (9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonate dinitrate dihydrate
Formula	C54 H50 N10 Ni2 O20 S2
Calculated formula	C54 H50 N10 Ni2 O20 S2
Title of publication	Crystal structure of bis[bisaqua-bis(2,2'-bipyridine)-nickel(II)](9,10-dioxo-9,10-anthracene-2,6-disulfonate) dinitrate dihydrate, [Ni(H2O)2(C10H8N2)2]2[C14H6S2O8][NO3]2 · 2H2O
Authors of publication	Zhaoxun Lian; Ning Zhao; Fengxia Yang; Ping Liu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	3
Pages of publication	425
a	9.6994 ± 0.0002 Å
b	25.2194 ± 0.0004 Å
c	11.2571 ± 0.0002 Å
α	90°
β	93.788 ± 0.002°
γ	90°
Cell volume	2747.62 ± 0.09 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
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	0.0595
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1541
Weighted residual factors for all reflections included in the refinement	0.161
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103178.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103178.cif
29185	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103178 via cif-deposit CGI script.	8103178.cif