Stacking interaction [Symmetry codes: (i) 1 – x, -y, -z]Acta Cryst. (2014). E70, m190sup-supplementary materialsFigure 4 Packing diagram in the supramolecular edifice displaying hydrogen bonds as dashed lines Bis(two,2-bipyridyl-2N,N)chloridonickel(II) nitrate trihydrate Crystal information [NiCl(C10H8N2)2](NO3)H2O Mr = 522.57 Monoclinic, P21/n Hall symbol: -P 2yn a = 8.2341 (two) b = 21.1920 (5) c = 13.1284 (4) = 99.722 (1)V = 2257.97 (ten) Information collection Bruker APEXII CCD P2Y12 Receptor Antagonist Purity & Documentation diffractometer Radiation source: Rotating Anode Graphite monochromator Detector resolution: 18.four pixels mm-1 and scans 21125 measured reflections Refinement Refinement on F2 Least-squares matrix: complete R[F2 2(F2)] = 0.044 wR(F2) = 0.127 S = 1.01 5177 reflections 298 parameters 9 restraints Hydrogen web-site place: mixed H-atom parameters constrained W = 1/[2(FO2) + (0.0647P)two + 1.1593P] Exactly where P = (FO2 + 2FC2)/3 (/)max 0.001 max = 0.47 e 3 min = -0.47 e 3 5177 independent reflections 3811 reflections with I two(I) Rint = 0.034 max = 27.5 min = 2.7h = -1010 k = -2527 l = -1617 Z=4 F(000) = 1080 Dx = 1.537 Mg m-3 Mo K radiation, = 0.71073 = 1.03 mm-1 T = 296 K Block, green 0.15 0.13 0.ten mmActa Cryst. (2014). E70, m190sup-supplementary materialsSpecial details Geometry. Bond distances, angles and so forth. have been calculated employing the rounded fractional coordinates. All su’s are estimated in the variances on the (complete) variance-covariance matrix. The cell e.s.d.’s are taken into account within the estimation of distances, angles and torsion angles Refinement. Refinement on F2 for ALL reflections except these flagged by the user for prospective systematic errors. Weighted R-factors wR and all goodnesses of fit S are von Hippel-Lindau (VHL) Degrader review determined by F2, conventional R-factors R are based on F, with F set to zero for negative F2. The observed criterion of F2 (F2) is utilized only for calculating -R-factor-obs and so on. and is just not relevant to the choice of reflections for refinement. R-factors according to F2 are statistically about twice as substantial as those determined by F, and R-factors according to ALL information will be even larger. Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters () x Ni1 Cl1 N1 N2 N3 N4 C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C12 C13 C14 C15 C16 C17 C18 C19 C20 O1 O2 O3 N5 O1W O2W O3W H1 H2 H3 H4 0.26205 (four) 0.04397 (10) 0.4089 (three) 0.4655 (three) 0.2831 (three) 0.1319 (three) 0.3683 (four) 0.4723 (four) 0.6237 (4) 0.6663 (four) 0.5564 (3) 0.5881 (three) 0.7311 (4) 0.7489 (four) 0.6260 (four) 0.4856 (four) 0.3647 (four) 0.3716 (4) 0.2912 (four) 0.2078 (4) 0.2067 (3) 0.1201 (three) 0.0298 (four) -0.0500 (4) -0.0382 (four) 0.0545 (four) -0.1473 (7) -0.0983 (7) 0.0639 (6) -0.0656 (6) -0.2649 (five) 0.1269 (six) 0.5892 (five) 0.26540 0.44110 0.69660 0.76800 y 0.01955 (2) -0.00729 (four) -0.04491 (11) 0.07571 (11) -0.01045 (10) 0.08621 (11) -0.10552 (14) -0.14864 (15) -0.12862 (16) -0.06611 (15) -0.02455 (13) 0.04365 (13) 0.07368 (16) 0.13756 (17) 0.16938 (16) 0.13736 (14) -0.06032 (14) -0.07369 (17) -0.03406 (19) 0.01749 (16) 0.02868 (13) 0.08294 (13) 0.12715 (15) 0.17463 (15) 0.17781 (15) 0.13259 (14) 0.2935 (three) 0.2268 (two) 0.2366 (three) 0.2527 (two) 0.2447 (three) 0.1387 (two) -0.1931 (2) -0.11900 -0.19070 -0.15700 -0.05180 z 0.25456 (two) 0.33507 (six) 0.33240 (17) 0.31172 (16) 0.10432 (18) 0.17169 (18) 0.3398 (three) 0.3945 (3) 0.4447 (3) 0.4387 (2) 0.3819 (two) 0.37109 (19) 0.4171 (2) 0.4001 (3) 0.3385 (3) 0.2963 (two) 0.0758 (two) -0.0257 (three) -0.1010 (3) -0.0732 (2) 0.0305 (two) 0.0683 (two) 0.0049 (two) 0.0485 (3) 0.1538 (three) 0.2133 (three) 0.5504 (4) 0.6708 (five) 0.5677 (five) 0.5946 (4.