Literature DB >> 22589773

(Carbonato-κ(2)O,O')bis-(5,5'-dimethyl-2,2'-bipyridyl-κ(2)N,N')cobalt(III) bromide trihydrate.

Kannan Arun Kumar1, Parthsarathi Meera, Madhavan Amutha Selvi, Arunachalam Dayalan.   

Abstract

In the title complex, [Co(CO(3))(C(12)H(12)N(2))(2)]Br·3H(2)O, the Co(III) cation has a distorted octa-hedral coordination environment. It is chelated by four N atoms of two different 5,5'-dimethyl-2,2'-bipyridyl (dmbpy) ligands in axial and equatorial positions, and by two O atoms of a carbonate anion completing the equatorial positions. Although the water mol-ecules are disordered and their H atoms were not located, there are typical O⋯O distances between 2.8 and 3.0 Å, indicating O-H⋯O hydrogen bonding. The crystal packing is consolidated by C-H⋯O and C-H⋯Br hydrogen bonds, as well as π-π stacking inter-actions between adjacent pyridine rings of the dmbpy ligands, with centroid-centroid distances of 3.694 (3) and 3.7053 (3) Å.

Entities:  

Year:  2012        PMID： 22589773      PMCID： PMC3343799          DOI： 10.1107/S160053681200894X

Source DB:  PubMed          Journal:  Acta Crystallogr Sect E Struct Rep Online        ISSN： 1600-5368


Related literature

For background to this class of compounds, see: Momeni et al. (2009 ▶); Harding et al. (2008 ▶); Kusrini et al. (2008 ▶). For applications of this class of compounds in various fields, see: Carol et al. (2006 ▶); Eddie et al. (2010 ▶); Raj et al. (2008 ▶); Vitushkina et al. (2006 ▶); Hyung et al. (2006 ▶); Jayaweera et al. (2002 ▶), Shi et al. (2010 ▶); For similar structures, see: Ma et al. (2008 ▶); Phatchimkun & Chaichit (2011 ▶).

Experimental

Crystal data

[Co(CO3)(C12H12N2)2]Br·3H2O M = 621.32 Monoclinic, a = 11.5802 (15) Å b = 15.958 (2) Å c = 14.3921 (17) Å β = 100.143 (3)° V = 2618.0 (6) Å3 Z = 4 Mo Kα radiation μ = 2.23 mm−1 T = 293 K 0.30 × 0.25 × 0.20 mm

Data collection

Bruker APEXII CCD diffractometer Absorption correction: multi-scan (SADABS; Bruker, 2004 ▶) T min = 0.555, T max = 0.664 23769 measured reflections 5033 independent reflections 3111 reflections with I > 2σ(I) R int = 0.048

Refinement

R[F 2 > 2σ(F 2)] = 0.046 wR(F 2) = 0.145 S = 1.02 5033 reflections 346 parameters H-atom parameters constrained Δρmax = 0.77 e Å−3 Δρmin = −1.43 e Å−3 Data collection: APEX2 (Bruker, 2004 ▶); cell refinement: SAINT (Bruker, 2004 ▶); data reduction: SAINT; program(s) used to solve structure: SIR92 (Altomare et al., 1993 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: ORTEP-3 (Farrugia, 1997 ▶) and Mercury (Macrae et al., 2008 ▶); software used to prepare material for publication: publCIF (Westrip, 2010 ▶). Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S160053681200894X/wm2590sup1.cif Structure factors: contains datablock(s) I. DOI: 10.1107/S160053681200894X/wm2590Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
[Co(CO3)(C12H12N2)2]Br·3H2OF(000) = 1248
Mr = 621.32Dx = 1.561 Mg m−3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 4593 reflections
a = 11.5802 (15) Åθ = 2.2–25.6°
b = 15.958 (2) ŵ = 2.23 mm−1
c = 14.3921 (17) ÅT = 293 K
β = 100.143 (3)°Block, red
V = 2618.0 (6) Å30.30 × 0.25 × 0.20 mm
Z = 4
Bruker APEXII CCD diffractometer5033 independent reflections
Radiation source: fine-focus sealed tube3111 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.048
ω and φ scanθmax = 25.9°, θmin = 2.2°
Absorption correction: multi-scan (SADABS; Bruker, 2004)h = −14→14
Tmin = 0.555, Tmax = 0.664k = −19→19
23769 measured reflectionsl = −17→17
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.046Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.145H-atom parameters constrained
S = 1.02w = 1/[σ2(Fo2) + (0.0686P)2 + 2.4848P] where P = (Fo2 + 2Fc2)/3
5033 reflections(Δ/σ)max < 0.001
346 parametersΔρmax = 0.77 e Å−3
0 restraintsΔρmin = −1.43 e Å−3
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.
xyzUiso*/UeqOcc. (<1)
C10.3712 (3)0.2890 (2)0.7720 (3)0.0345 (8)
H10.35490.32520.81860.041*
C20.2916 (3)0.2835 (2)0.6885 (3)0.0360 (9)
C30.3182 (4)0.2288 (2)0.6203 (3)0.0402 (10)
H30.26750.22370.56270.048*
C40.4194 (3)0.1824 (2)0.6379 (2)0.0374 (9)
H40.43660.14500.59260.045*
C50.4953 (3)0.1909 (2)0.7222 (2)0.0301 (8)
C60.6068 (3)0.1471 (2)0.7492 (2)0.0300 (8)
C70.6501 (3)0.0889 (2)0.6939 (3)0.0389 (9)
H70.60630.07310.63600.047*
C80.7597 (3)0.0539 (2)0.7250 (3)0.0406 (9)
H80.78930.01400.68840.049*
C90.8246 (3)0.0785 (2)0.8104 (3)0.0372 (9)
C100.7749 (3)0.1367 (2)0.8627 (2)0.0342 (8)
H100.81760.15390.92030.041*
C110.1830 (3)0.3362 (3)0.6723 (3)0.0497 (11)
H11A0.14170.32920.72410.074*
H11B0.13340.31930.61480.074*
H11C0.20410.39400.66780.074*
C120.9454 (4)0.0463 (3)0.8466 (3)0.0533 (11)
H12A1.00050.09170.85100.080*
H12B0.96540.00450.80410.080*
H12C0.94780.02190.90790.080*
C130.4108 (3)0.1317 (2)0.9421 (2)0.0337 (8)
H130.36880.14400.88250.040*
C140.3629 (3)0.0754 (2)0.9986 (3)0.0344 (8)
C150.4271 (3)0.0582 (2)1.0863 (3)0.0382 (9)
H150.39830.02011.12550.046*
C160.5334 (3)0.0966 (2)1.1166 (2)0.0346 (8)
H160.57610.08521.17630.042*
C170.5761 (3)0.1526 (2)1.0571 (2)0.0294 (8)
C180.6864 (3)0.1986 (2)1.0812 (2)0.0298 (8)
C190.7652 (3)0.1912 (2)1.1642 (2)0.0373 (9)
H190.75040.15411.21050.045*
C200.8656 (3)0.2384 (2)1.1787 (3)0.0387 (9)
H200.91900.23351.23480.046*
C210.8874 (3)0.2938 (2)1.1092 (2)0.0369 (9)
C220.8051 (3)0.2976 (2)1.0263 (2)0.0350 (9)
H220.81870.33370.97870.042*
C230.2454 (3)0.0377 (3)0.9622 (3)0.0474 (10)
H23A0.2341−0.01070.99920.071*
H23B0.24140.02150.89750.071*
H23C0.18520.07810.96650.071*
C240.9940 (3)0.3485 (3)1.1216 (3)0.0508 (11)
H24A1.03610.33871.07090.076*
H24B1.04360.33561.18060.076*
H24C0.97060.40621.12140.076*
N10.4700 (2)0.24492 (18)0.78871 (19)0.0301 (7)
N20.6678 (2)0.16936 (18)0.83404 (19)0.0313 (7)
N30.5147 (2)0.16874 (18)0.96982 (18)0.0294 (7)
N40.7072 (3)0.25148 (17)1.01256 (19)0.0304 (6)
C250.5843 (3)0.3968 (2)0.8970 (3)0.0398 (9)
Co10.58872 (4)0.25212 (3)0.90051 (3)0.02805 (16)
O10.5219 (2)0.34952 (16)0.94414 (17)0.0381 (6)
O20.5824 (3)0.47344 (18)0.8941 (2)0.0651 (9)
O30.6496 (2)0.34948 (15)0.85188 (16)0.0365 (6)
Br11.09456 (5)0.26057 (4)0.90092 (4)0.0860 (2)
O40.7273 (5)0.5300 (3)0.7641 (3)0.1209 (16)
O50.9316 (14)0.4389 (5)0.8542 (6)0.140 (4)0.80 (2)
O5'1.012 (5)0.436 (2)0.869 (3)0.140 (4)0.20 (2)
O60.8141 (11)0.5262 (7)1.0104 (8)0.158 (5)0.761 (18)
O6'0.745 (3)0.560 (2)1.046 (3)0.158 (5)0.239 (18)
U11U22U33U12U13U23
C10.039 (2)0.031 (2)0.033 (2)0.0002 (17)0.0044 (16)0.0027 (16)
C20.040 (2)0.034 (2)0.032 (2)−0.0010 (17)−0.0007 (16)0.0069 (16)
C30.044 (2)0.043 (2)0.029 (2)−0.0060 (18)−0.0069 (16)0.0008 (16)
C40.045 (2)0.039 (2)0.0268 (19)−0.0022 (18)0.0016 (16)−0.0030 (16)
C50.037 (2)0.0279 (19)0.0262 (18)−0.0059 (16)0.0075 (15)0.0007 (14)
C60.037 (2)0.0311 (19)0.0220 (18)−0.0066 (16)0.0049 (14)0.0014 (14)
C70.044 (2)0.039 (2)0.033 (2)−0.0071 (18)0.0070 (16)−0.0048 (17)
C80.046 (2)0.038 (2)0.040 (2)0.0014 (18)0.0135 (18)−0.0051 (17)
C90.035 (2)0.035 (2)0.042 (2)−0.0011 (17)0.0090 (17)0.0055 (17)
C100.038 (2)0.034 (2)0.0287 (19)−0.0032 (17)0.0016 (15)0.0057 (15)
C110.043 (2)0.049 (3)0.052 (3)0.006 (2)−0.0060 (19)0.004 (2)
C120.041 (2)0.055 (3)0.064 (3)0.004 (2)0.009 (2)0.003 (2)
C130.038 (2)0.035 (2)0.0273 (19)−0.0020 (17)0.0049 (15)0.0004 (15)
C140.038 (2)0.0292 (19)0.037 (2)0.0040 (16)0.0106 (16)−0.0027 (16)
C150.042 (2)0.035 (2)0.040 (2)0.0020 (17)0.0137 (18)0.0056 (16)
C160.039 (2)0.038 (2)0.0273 (19)0.0040 (17)0.0057 (15)0.0096 (15)
C170.036 (2)0.0291 (19)0.0234 (18)0.0054 (16)0.0057 (14)0.0016 (14)
C180.036 (2)0.031 (2)0.0222 (17)0.0027 (16)0.0039 (14)0.0000 (14)
C190.040 (2)0.044 (2)0.0263 (19)0.0027 (18)0.0026 (15)0.0016 (16)
C200.039 (2)0.047 (2)0.027 (2)0.0045 (19)−0.0020 (16)−0.0030 (17)
C210.037 (2)0.038 (2)0.035 (2)0.0012 (17)0.0043 (16)−0.0079 (17)
C220.041 (2)0.035 (2)0.028 (2)−0.0053 (18)0.0032 (15)0.0011 (15)
C230.040 (2)0.046 (2)0.057 (3)−0.0114 (19)0.0104 (19)0.000 (2)
C240.044 (2)0.057 (3)0.050 (3)−0.009 (2)0.0020 (19)−0.009 (2)
N10.0346 (16)0.0322 (16)0.0231 (15)−0.0002 (14)0.0044 (12)0.0045 (12)
N20.0353 (17)0.0325 (17)0.0256 (15)−0.0027 (14)0.0035 (12)0.0018 (12)
N30.0345 (17)0.0310 (16)0.0229 (15)0.0016 (13)0.0053 (12)0.0015 (12)
N40.0379 (17)0.0295 (15)0.0233 (15)−0.0034 (14)0.0040 (12)−0.0011 (12)
C250.051 (2)0.034 (2)0.033 (2)−0.001 (2)0.0039 (17)0.0021 (18)
Co10.0354 (3)0.0294 (3)0.0184 (3)−0.0015 (2)0.00190 (18)0.0018 (2)
O10.0463 (16)0.0376 (15)0.0312 (14)0.0005 (12)0.0087 (11)−0.0018 (11)
O20.082 (2)0.0318 (17)0.086 (2)0.0046 (16)0.0279 (19)0.0062 (16)
O30.0474 (16)0.0339 (14)0.0289 (14)−0.0032 (12)0.0084 (11)0.0051 (11)
Br10.0908 (5)0.1163 (6)0.0404 (3)0.0077 (4)−0.0173 (3)−0.0045 (3)
O40.181 (5)0.098 (3)0.093 (3)−0.033 (3)0.049 (3)−0.006 (3)
O50.149 (11)0.099 (4)0.165 (6)−0.033 (6)0.005 (7)0.029 (4)
O5'0.149 (11)0.099 (4)0.165 (6)−0.033 (6)0.005 (7)0.029 (4)
O60.118 (8)0.152 (8)0.184 (8)−0.041 (7)−0.032 (7)0.093 (7)
O6'0.118 (8)0.152 (8)0.184 (8)−0.041 (7)−0.032 (7)0.093 (7)
C1—N11.328 (4)C15—C161.376 (5)
C1—C21.383 (5)C15—H150.9300
C1—H10.9300C16—C171.388 (5)
C2—C31.387 (5)C16—H160.9300
C2—C111.497 (5)C17—N31.355 (4)
C3—C41.372 (5)C17—C181.461 (5)
C3—H30.9300C18—N41.353 (4)
C4—C51.375 (5)C18—C191.374 (5)
C4—H40.9300C19—C201.371 (5)
C5—N11.358 (4)C19—H190.9300
C5—C61.459 (5)C20—C211.390 (5)
C6—N21.346 (4)C20—H200.9300
C6—C71.374 (5)C21—C221.391 (5)
C7—C81.386 (5)C21—C241.496 (5)
C7—H70.9300C22—N41.337 (4)
C8—C91.381 (5)C22—H220.9300
C8—H80.9300C23—H23A0.9600
C9—C101.382 (5)C23—H23B0.9600
C9—C121.495 (5)C23—H23C0.9600
C10—N21.341 (4)C24—H24A0.9600
C10—H100.9300C24—H24B0.9600
C11—H11A0.9600C24—H24C0.9600
C11—H11B0.9600N1—Co11.927 (3)
C11—H11C0.9600N2—Co11.951 (3)
C12—H12A0.9600N3—Co11.950 (3)
C12—H12B0.9600N4—Co11.925 (3)
C12—H12C0.9600C25—O21.225 (5)
C13—N31.337 (4)C25—O11.312 (4)
C13—C141.391 (5)C25—O31.318 (4)
C13—H130.9300C25—Co12.309 (4)
C14—C151.374 (5)Co1—O31.891 (2)
C14—C231.496 (5)Co1—O11.892 (2)
N1—C1—C2123.0 (3)C19—C20—C21119.8 (3)
N1—C1—H1118.5C19—C20—H20120.1
C2—C1—H1118.5C21—C20—H20120.1
C1—C2—C3117.3 (3)C20—C21—C22117.4 (3)
C1—C2—C11120.8 (4)C20—C21—C24122.3 (3)
C3—C2—C11121.9 (3)C22—C21—C24120.2 (4)
C4—C3—C2119.8 (3)N4—C22—C21122.6 (3)
C4—C3—H3120.1N4—C22—H22118.7
C2—C3—H3120.1C21—C22—H22118.7
C3—C4—C5120.2 (4)C14—C23—H23A109.5
C3—C4—H4119.9C14—C23—H23B109.5
C5—C4—H4119.9H23A—C23—H23B109.5
N1—C5—C4120.0 (3)C14—C23—H23C109.5
N1—C5—C6114.0 (3)H23A—C23—H23C109.5
C4—C5—C6125.9 (3)H23B—C23—H23C109.5
N2—C6—C7121.1 (3)C21—C24—H24A109.5
N2—C6—C5114.4 (3)C21—C24—H24B109.5
C7—C6—C5124.5 (3)H24A—C24—H24B109.5
C6—C7—C8119.5 (3)C21—C24—H24C109.5
C6—C7—H7120.3H24A—C24—H24C109.5
C8—C7—H7120.3H24B—C24—H24C109.5
C9—C8—C7119.8 (4)C1—N1—C5119.7 (3)
C9—C8—H8120.1C1—N1—Co1125.8 (2)
C7—C8—H8120.1C5—N1—Co1114.5 (2)
C8—C9—C10117.5 (3)C10—N2—C6119.0 (3)
C8—C9—C12122.8 (4)C10—N2—Co1126.9 (2)
C10—C9—C12119.7 (4)C6—N2—Co1114.0 (2)
N2—C10—C9123.0 (3)C13—N3—C17119.4 (3)
N2—C10—H10118.5C13—N3—Co1127.1 (2)
C9—C10—H10118.5C17—N3—Co1113.4 (2)
C2—C11—H11A109.5C22—N4—C18119.4 (3)
C2—C11—H11B109.5C22—N4—Co1125.6 (2)
H11A—C11—H11B109.5C18—N4—Co1115.0 (2)
C2—C11—H11C109.5O2—C25—O1125.7 (4)
H11A—C11—H11C109.5O2—C25—O3124.3 (4)
H11B—C11—H11C109.5O1—C25—O3110.0 (3)
C9—C12—H12A109.5O2—C25—Co1179.2 (3)
C9—C12—H12B109.5O1—C25—Co155.03 (18)
H12A—C12—H12B109.5O3—C25—Co154.97 (17)
C9—C12—H12C109.5O3—Co1—O169.44 (11)
H12A—C12—H12C109.5O3—Co1—N493.28 (11)
H12B—C12—H12C109.5O1—Co1—N489.95 (11)
N3—C13—C14122.8 (3)O3—Co1—N189.86 (11)
N3—C13—H13118.6O1—Co1—N193.03 (11)
C14—C13—H13118.6N4—Co1—N1176.27 (12)
C15—C14—C13117.4 (3)O3—Co1—N3167.52 (11)
C15—C14—C23123.5 (3)O1—Co1—N398.53 (12)
C13—C14—C23119.1 (3)N4—Co1—N383.14 (12)
C14—C15—C16120.8 (3)N1—Co1—N394.19 (12)
C14—C15—H15119.6O3—Co1—N297.86 (12)
C16—C15—H15119.6O1—Co1—N2166.77 (11)
C15—C16—C17119.1 (3)N4—Co1—N294.61 (12)
C15—C16—H16120.4N1—Co1—N282.98 (12)
C17—C16—H16120.4N3—Co1—N294.34 (12)
N3—C17—C16120.6 (3)O3—Co1—C2534.81 (12)
N3—C17—C18114.8 (3)O1—Co1—C2534.63 (12)
C16—C17—C18124.6 (3)N4—Co1—C2591.91 (13)
N4—C18—C19120.8 (3)N1—Co1—C2591.82 (12)
N4—C18—C17113.6 (3)N3—Co1—C25133.08 (13)
C19—C18—C17125.6 (3)N2—Co1—C25132.58 (13)
C20—C19—C18120.1 (4)C25—O1—Co190.3 (2)
C20—C19—H19120.0C25—O3—Co190.2 (2)
C18—C19—H19120.0
N1—C1—C2—C30.1 (6)C22—N4—Co1—N3179.6 (3)
N1—C1—C2—C11−178.4 (3)C18—N4—Co1—N30.0 (2)
C1—C2—C3—C40.8 (6)C22—N4—Co1—N285.7 (3)
C11—C2—C3—C4179.3 (4)C18—N4—Co1—N2−93.9 (3)
C2—C3—C4—C5−1.1 (6)C22—N4—Co1—C25−47.3 (3)
C3—C4—C5—N10.5 (5)C18—N4—Co1—C25133.2 (3)
C3—C4—C5—C6−178.4 (3)C1—N1—Co1—O3−80.4 (3)
N1—C5—C6—N2−1.9 (4)C5—N1—Co1—O397.7 (2)
C4—C5—C6—N2177.0 (3)C1—N1—Co1—O1−11.0 (3)
N1—C5—C6—C7179.3 (3)C5—N1—Co1—O1167.1 (2)
C4—C5—C6—C7−1.8 (6)C1—N1—Co1—N387.8 (3)
N2—C6—C7—C8−1.5 (5)C5—N1—Co1—N3−94.2 (2)
C5—C6—C7—C8177.2 (3)C1—N1—Co1—N2−178.3 (3)
C6—C7—C8—C9−0.8 (6)C5—N1—Co1—N2−0.3 (2)
C7—C8—C9—C101.4 (5)C1—N1—Co1—C25−45.6 (3)
C7—C8—C9—C12−177.3 (4)C5—N1—Co1—C25132.4 (2)
C8—C9—C10—N20.1 (5)C13—N3—Co1—O3103.1 (5)
C12—C9—C10—N2178.9 (3)C17—N3—Co1—O3−73.0 (6)
N3—C13—C14—C15−0.1 (5)C13—N3—Co1—O188.1 (3)
N3—C13—C14—C23179.2 (3)C17—N3—Co1—O1−88.0 (2)
C13—C14—C15—C161.1 (5)C13—N3—Co1—N4177.0 (3)
C23—C14—C15—C16−178.3 (4)C17—N3—Co1—N40.9 (2)
C14—C15—C16—C17−0.7 (5)C13—N3—Co1—N1−5.6 (3)
C15—C16—C17—N3−0.6 (5)C17—N3—Co1—N1178.3 (2)
C15—C16—C17—C18178.9 (3)C13—N3—Co1—N2−88.8 (3)
N3—C17—C18—N41.6 (4)C17—N3—Co1—N295.1 (2)
C16—C17—C18—N4−178.0 (3)C13—N3—Co1—C2590.9 (3)
N3—C17—C18—C19−178.2 (3)C17—N3—Co1—C25−85.3 (3)
C16—C17—C18—C192.3 (6)C10—N2—Co1—O387.5 (3)
N4—C18—C19—C200.7 (5)C6—N2—Co1—O3−89.7 (2)
C17—C18—C19—C20−179.5 (3)C10—N2—Co1—O1103.4 (5)
C18—C19—C20—C210.0 (6)C6—N2—Co1—O1−73.9 (6)
C19—C20—C21—C22−0.8 (5)C10—N2—Co1—N4−6.4 (3)
C19—C20—C21—C24178.5 (4)C6—N2—Co1—N4176.3 (2)
C20—C21—C22—N40.9 (6)C10—N2—Co1—N1176.4 (3)
C24—C21—C22—N4−178.5 (3)C6—N2—Co1—N1−0.8 (2)
C2—C1—N1—C5−0.7 (5)C10—N2—Co1—N3−89.9 (3)
C2—C1—N1—Co1177.2 (3)C6—N2—Co1—N392.9 (2)
C4—C5—N1—C10.5 (5)C10—N2—Co1—C2590.4 (3)
C6—C5—N1—C1179.4 (3)C6—N2—Co1—C25−86.8 (3)
C4—C5—N1—Co1−177.7 (3)O1—C25—Co1—O3179.8 (3)
C6—C5—N1—Co11.3 (4)O3—C25—Co1—O1−179.8 (3)
C9—C10—N2—C6−2.4 (5)O1—C25—Co1—N4−87.1 (2)
C9—C10—N2—Co1−179.5 (3)O3—C25—Co1—N493.0 (2)
C7—C6—N2—C103.0 (5)O1—C25—Co1—N192.7 (2)
C5—C6—N2—C10−175.8 (3)O3—C25—Co1—N1−87.1 (2)
C7—C6—N2—Co1−179.5 (3)O1—C25—Co1—N3−4.8 (3)
C5—C6—N2—Co11.7 (4)O3—C25—Co1—N3175.40 (17)
C14—C13—N3—C17−1.2 (5)O1—C25—Co1—N2174.82 (18)
C14—C13—N3—Co1−177.1 (3)O3—C25—Co1—N2−5.0 (3)
C16—C17—N3—C131.5 (5)O2—C25—O1—Co1179.6 (4)
C18—C17—N3—C13−178.0 (3)O3—C25—O1—Co10.1 (3)
C16—C17—N3—Co1178.0 (3)O3—Co1—O1—C25−0.1 (2)
C18—C17—N3—Co1−1.6 (4)N4—Co1—O1—C2593.4 (2)
C21—C22—N4—C18−0.2 (5)N1—Co1—O1—C25−88.8 (2)
C21—C22—N4—Co1−179.7 (3)N3—Co1—O1—C25176.5 (2)
C19—C18—N4—C22−0.7 (5)N2—Co1—O1—C25−16.9 (6)
C17—C18—N4—C22179.6 (3)O2—C25—O3—Co1−179.6 (4)
C19—C18—N4—Co1178.9 (3)O1—C25—O3—Co1−0.1 (3)
C17—C18—N4—Co1−0.8 (4)O1—Co1—O3—C250.1 (2)
C22—N4—Co1—O3−12.4 (3)N4—Co1—O3—C25−88.6 (2)
C18—N4—Co1—O3168.0 (2)N1—Co1—O3—C2593.4 (2)
C22—N4—Co1—O1−81.8 (3)N3—Co1—O3—C25−15.7 (6)
C18—N4—Co1—O198.6 (2)N2—Co1—O3—C25176.3 (2)
D—H···AD—HH···AD···AD—H···A
C1—H1···O10.932.432.931 (5)114
C3—H3···Br1i0.932.803.718 (4)168
C4—H4···O1ii0.932.513.257 (4)138
C10—H10···N40.932.533.036 (4)114
C11—H11A···Br1iii0.962.913.810 (4)157
C13—H13···N10.932.523.023 (4)114
C19—H19···O3iv0.932.523.284 (4)140
C20—H20···Br1iv0.932.853.778 (4)172
C22—H22···O30.932.442.939 (4)113
C23—H23B···O4v0.962.423.330 (6)158
C24—H24A···Br10.962.933.836 (5)158
Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯AD—HH⋯AD⋯AD—H⋯A
C1—H1⋯O10.932.432.931 (5)114
C3—H3⋯Br1i0.932.803.718 (4)168
C4—H4⋯O1ii0.932.513.257 (4)138
C11—H11A⋯Br1iii0.962.913.810 (4)157
C19—H19⋯O3iv0.932.523.284 (4)140
C20—H20⋯Br1iv0.932.853.778 (4)172
C22—H22⋯O30.932.442.939 (4)113
C23—H23B⋯O4v0.962.423.330 (6)158
C24—H24A⋯Br10.962.933.836 (5)158

Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) .

  8 in total

1.  A short history of SHELX.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr A       Date:  2007-12-21       Impact factor: 2.290

2.  Cytotoxicity of Cu(II) and Zn(II) 2,2'-bipyridyl complexes: dependence of IC50 on recovery time.

Authors:  Yi Shi; Bonnie B Toms; Namrata Dixit; Niraj Kumari; Lallan Mishra; Jerry Goodisman; James C Dabrowiak
Journal:  Chem Res Toxicol       Date:  2010-08-16       Impact factor: 3.739

3.  In vitro anti-tumour effect of 1,10-phenanthroline-5,6-dione (phendione), [Cu(phendione)3](ClO4)2.4H2O and [Ag(phendione)2]ClO4 using human epithelial cell lines.

Authors:  Carol Deegan; Barry Coyle; Malachy McCann; Michael Devereux; Denise A Egan
Journal:  Chem Biol Interact       Date:  2006-09-16       Impact factor: 5.192

4.  Tris(phenanthroline-κN,N')cobalt(II) tetra-fluoridoborate acetonitrile solvate.

Authors:  David J Harding; Phimphaka Harding; Harry Adams
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2008-11-13

5.  Tris(nitrato-κO,O')bis-(1,10-phenanthroline-κN,N')holmium(III).

Authors:  Eny Kusrini; Muhammad Idiris Saleh; Reza Kia; Hoong-Kun Fun
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2008-07-09

6.  Bis(2,2'-bipyridyl-κN,N')(carbonato-κO,O')cobalt(III) bromide trihydrate.

Authors:  Peng-Tao Ma; Yu-Xia Wang; Guo-Qian Zhang; Ming-Xue Li
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2007-12-06

7.  Diazido-bis-(5,5'-dimethyl-2,2'-bipyridyl-κN,N')cobalt(II) monohydrate.

Authors:  Jaturong Phatchimkun; Narongsak Chaichit
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2011-03-31

8.  Tetra-chlorido-(1,10-phenanthroline-κN,N')tin(IV) 1,2-dichloro-ethane hemisolvate.

Authors:  Badri Z Momeni; Frank Rominger; Simin S Hosseini
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2009-05-29
  8 in total

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