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Acta Cryst. (2007). E63, m3098-m3099    [ doi:10.1107/S1600536807056826 ]

catena-Poly[[aqua(dipyrido[3,2-a:2',3'-c]phenazine)cobalt(II)]-[mu]-benzene-1,4-dicarboxylato]

Fang-Wei and Z.-M. Mei

Abstract top

In the title compound, [Co(C8H4O4)(C18H10N4)(H2O)]n, the CoII atom is six-coordinated by three O atoms from two benzene-1,4-dicarboxylate (1,4-BDC) dianions (one bidentate and one monodentate), one water molecule and two N atoms from a bidentate dipyrido[3,2-a:2',3'-c]phenazine ligand, resulting in a distorted cis-CoO4N2 octahedral geometry. The CoII atoms are bridged by the 1,4-BDC ligands, forming a single-chain polymer structure. Both BDC ligands are centrosymmetric. Neighbouring chains interact through [pi]-[pi] interactions [minimum centroid-centroid separation = 3.459 (2) Å] and O-H...O hydrogen bonds.

Comment top

1,10-Phenanthroline (phen) and its derivatives are important ligands with numerous uses in the constructon of metal-organic complexes. Supramolecular architectures based on the dipydo[3,2 − a:2',3'-c]phenazine (Dppz) molecule have considerably less attention (Li et al., 2006) As part of our ongoing studies in this area (Li et al., 2007), we now report the sythesis and structure of the title compound,(I), containing CoII ions, 1,4-BDC anions and phe-derived dipydo[3,2 − a:2',3'-c]phenazine (C18H10N4) ligands.

In compound (I), the CoII atom is six-coordinated by two N atoms from one Dppz molecule, three O atoms from two 1,4-BDC dianions (one monodentate, one bidentate) and one water molecule (Fig. 1, Table 1): a distorted octahedral cis-CoN2O4 arrangement is formed.

Neighboring CoII atoms are bridged by the centrosymmetric 1,4-BDC ligands forming a one-dimensional chain structure (Fig. 2). In the crystal structure, adjacent chains are connected through π-π interactions between dppz and 1,4-BDC ligands with a minimum centroid-centroid stacking distance of 3.459 (2) Å. O—H···O hydrogen bonds involving the water molecules and carboxylate O atom acceptors (Table 2) complete the structure of (I).

Related literature top

For related structures, see Li et al. (2006, 2007). For the ligand synthesis, see Dickeson & Summers (1970).

Experimental top

The Dppz ligand was synthesized by the literature method of Dickeson & Summers (1970). A mixture of CoCl2·2H2O (0.3 mmol), Dppz (0.1 mmol) and benzene-1,4-dicarboxylic acid (0.3 mmol) in 30 ml of distilled water was stirred thoroughly for 1 h at ambient temperature. The pH value was adjusted to about 7.5 with NaOH aqueous solution. The suspension was sealed in a Teflon-lined stainless reaction vessel (40 ml) and heated at 443 K for 5 days. The vessel was cooled slowly to room temperature at a rate of 10 K h−1 before opening, and purple blocks of (I) were recovered.

Refinement top

The water H atoms were located in a difference map and freely refined. The C-bound H atoms were placed geometrically (C—H = 0.93 Å) and refined as riding with Uiso(H)= 1.2Ueq(carrier). The highest difference peak is 1.05Å from H2B.

Computing details top

Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL-Plus (Sheldrick, 1990); software used to prepare material for publication: SHELXTL-Plus.

Figures top
[Figure 1] Fig. 1. The asymmetric unit of (I), together with additional atoms to complete the coordination of Co1 with displacement ellipsoids drawn at the 30% probability level (arbitrary spheres for the H atoms). [Symmetry codes: (i) 1 − x, 1 − y, 1 − z; (ii) −x, −y, 1 − z.
[Figure 2] Fig. 2. A view of the polymeric chain structure of (I). H atoms have been omitted for clarity.
catena-Poly[[aqua(dipyrido[3,2 − a:2',3'-c]phenazine)cobalt(II)]-µ-benzene- 1,4-dicarboxylato] top
Crystal data top
[Co(C8H4O4)(C18H10N4)(H2O)]F000 = 1068.0
Mr = 523.36Dx = 1.587 Mg m−3
Monoclinic, P21/nMo Kα radiation
λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 1368 reflections
a = 10.5218 (19) Åθ = 2.3–26.1º
b = 11.742 (2) ŵ = 0.83 mm−1
c = 18.077 (3) ÅT = 292 (2) K
β = 101.281 (4)ºBlock, purple
V = 2190.2 (7) Å30.47 × 0.21 × 0.10 mm
Z = 4
Data collection top
Bruker APEXII
diffractometer		4317 independent reflections
Radiation source: fine-focus sealed tube2417 reflections with I > 2σ(I)
Monochromator: graphiteRint = 0.059
Detector resolution: 0 pixels mm-1θmax = 26.0º
T = 292(2) Kθmin = 2.1º
ω scansh = −12→10
Absorption correction: multi-scan
(SADABS; Bruker, 2002)		k = −14→11
Tmin = 0.815, Tmax = 0.924l = −20→22
11590 measured reflections
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.047H atoms treated by a mixture of
independent and constrained refinement
wR(F2) = 0.114  w = 1/[σ2(Fo2) + (0.0475P)2]
where P = (Fo2 + 2Fc2)/3
S = 0.88(Δ/σ)max = 0.001
4317 reflectionsΔρmax = 1.70 e Å−3
349 parametersΔρmin = −0.40 e Å−3
Primary atom site location: structure-invariant direct methodsExtinction correction: none
Crystal data top
[Co(C8H4O4)(C18H10N4)(H2O)]V = 2190.2 (7) Å3
Mr = 523.36Z = 4
Monoclinic, P21/nMo Kα
a = 10.5218 (19) ŵ = 0.83 mm−1
b = 11.742 (2) ÅT = 292 (2) K
c = 18.077 (3) Å0.47 × 0.21 × 0.10 mm
β = 101.281 (4)º
Data collection top
Bruker APEXII
diffractometer		4317 independent reflections
Absorption correction: multi-scan
(SADABS; Bruker, 2002)		2417 reflections with I > 2σ(I)
Tmin = 0.815, Tmax = 0.924Rint = 0.059
11590 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.047349 parameters
wR(F2) = 0.114H atoms treated by a mixture of
independent and constrained refinement
S = 0.88Δρmax = 1.70 e Å−3
4317 reflectionsΔρmin = −0.40 e Å−3
Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Co10.49412 (5)0.06855 (4)0.63798 (3)0.03467 (18)
O10.3496 (3)−0.0366 (2)0.57392 (15)0.0440 (7)
O20.2835 (3)0.1061 (2)0.63506 (15)0.0487 (8)
O30.6371 (3)0.0100 (3)0.58260 (19)0.0450 (8)
N10.5516 (3)−0.0670 (3)0.72031 (16)0.0367 (8)
C50.6497 (3)−0.0620 (3)0.9301 (2)0.0363 (9)
N30.6541 (3)0.1013 (3)1.01155 (18)0.0431 (9)
N40.6879 (3)−0.1346 (3)0.98703 (19)0.0451 (9)
N20.5349 (3)0.1544 (3)0.74323 (17)0.0380 (8)
C60.7111 (4)−0.0898 (4)1.0577 (2)0.0437 (11)
C40.6252 (4)−0.1065 (3)0.8530 (2)0.0367 (10)
C180.5825 (3)−0.0328 (3)0.7924 (2)0.0326 (9)
C120.6338 (3)0.0564 (3)0.9431 (2)0.0368 (9)
C100.7204 (4)0.0719 (4)1.1443 (2)0.0578 (13)
H10A0.71080.14931.15270.069*
C130.5971 (4)0.1338 (3)0.8784 (2)0.0373 (10)
C170.5705 (3)0.0889 (3)0.8059 (2)0.0337 (9)
C190.2598 (4)0.0287 (4)0.5870 (2)0.0401 (10)
C110.6939 (4)0.0280 (4)1.0695 (2)0.0447 (11)
C10.5651 (4)−0.1773 (3)0.7058 (2)0.0471 (11)
H1B0.5425−0.20250.65620.057*
C30.6421 (4)−0.2206 (4)0.8354 (2)0.0489 (11)
H3B0.6739−0.27240.87340.059*
C140.5886 (4)0.2511 (4)0.8866 (2)0.0520 (12)
H14A0.60840.28420.93420.062*
C80.7748 (4)−0.1170 (5)1.1915 (3)0.0652 (15)
H8A0.8001−0.16491.23270.078*
C20.6120 (4)−0.2560 (4)0.7623 (2)0.0564 (13)
H2B0.6225−0.33190.75020.068*
C160.5236 (4)0.2654 (3)0.7536 (2)0.0490 (12)
H16A0.49580.31090.71150.059*
C90.7600 (4)0.0000 (5)1.2033 (3)0.0633 (14)
H9A0.77730.02881.25220.076*
C70.7525 (4)−0.1619 (4)1.1197 (2)0.0551 (12)
H7A0.7647−0.23921.11240.066*
C150.5509 (5)0.3175 (4)0.8239 (2)0.0578 (13)
H15A0.54360.39600.82830.069*
O40.5077 (3)0.2196 (2)0.58662 (15)0.0508 (8)
O50.3983 (3)0.2030 (2)0.46817 (16)0.0588 (9)
C270.4606 (4)0.2578 (3)0.5222 (2)0.0405 (10)
C300.5377 (4)0.4530 (3)0.5701 (2)0.0384 (10)
C290.4429 (4)0.4323 (4)0.4403 (2)0.0388 (10)
C280.4816 (4)0.3832 (3)0.5108 (2)0.0344 (9)
C210.0943 (4)−0.0796 (4)0.4949 (2)0.0406 (10)
C200.1242 (4)0.0122 (3)0.5429 (2)0.0342 (9)
C220.0299 (4)0.0927 (4)0.5484 (2)0.0408 (11)
H300.565 (3)0.424 (3)0.613 (2)0.040 (12)*
H220.049 (3)0.156 (3)0.5768 (19)0.036 (11)*
H210.161 (3)−0.133 (3)0.4907 (18)0.033 (10)*
H3WA0.631 (4)0.045 (4)0.534 (3)0.075 (16)*
H3WB0.628 (5)−0.048 (4)0.568 (3)0.08 (2)*
H290.404 (4)0.391 (3)0.401 (2)0.051 (13)*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Co10.0429 (3)0.0306 (3)0.0290 (3)−0.0023 (3)0.0033 (2)0.0023 (3)
O10.0375 (17)0.0438 (17)0.0486 (18)0.0018 (14)0.0032 (14)0.0048 (14)
O20.0464 (19)0.059 (2)0.0369 (17)−0.0066 (15)−0.0003 (14)−0.0121 (15)
O30.056 (2)0.037 (2)0.045 (2)−0.0058 (16)0.0153 (16)−0.0020 (17)
N10.049 (2)0.0328 (18)0.0278 (18)−0.0049 (17)0.0053 (15)−0.0004 (16)
C50.032 (2)0.047 (2)0.029 (2)−0.003 (2)0.0049 (17)0.009 (2)
N30.041 (2)0.059 (2)0.030 (2)−0.0001 (17)0.0070 (16)0.0010 (17)
N40.042 (2)0.057 (2)0.035 (2)−0.0023 (17)0.0052 (17)0.0077 (18)
N20.042 (2)0.036 (2)0.034 (2)0.0000 (16)0.0029 (16)0.0030 (16)
C60.037 (2)0.063 (3)0.031 (2)−0.004 (2)0.0061 (19)0.010 (2)
C40.036 (2)0.037 (2)0.038 (2)−0.0012 (18)0.0081 (19)0.0047 (19)
C180.033 (2)0.031 (2)0.033 (2)−0.0046 (17)0.0043 (18)0.0020 (17)
C120.034 (2)0.049 (3)0.027 (2)−0.002 (2)0.0035 (17)0.004 (2)
C100.054 (3)0.084 (4)0.035 (3)−0.002 (3)0.009 (2)−0.001 (3)
C130.038 (3)0.043 (3)0.030 (2)−0.0001 (19)0.0029 (19)0.0008 (18)
C170.032 (2)0.039 (2)0.029 (2)−0.0021 (18)0.0024 (17)0.0018 (18)
C190.044 (3)0.046 (3)0.030 (2)−0.008 (2)0.007 (2)0.013 (2)
C110.033 (2)0.070 (3)0.030 (2)−0.002 (2)0.0035 (19)0.002 (2)
C10.071 (3)0.035 (3)0.034 (2)0.000 (2)0.009 (2)−0.003 (2)
C30.063 (3)0.039 (3)0.043 (3)0.003 (2)0.008 (2)0.013 (2)
C140.066 (3)0.048 (3)0.039 (3)0.001 (2)0.003 (2)−0.008 (2)
C80.060 (3)0.093 (4)0.038 (3)−0.006 (3)0.000 (2)0.021 (3)
C20.096 (4)0.031 (2)0.040 (3)0.001 (2)0.007 (3)0.004 (2)
C160.068 (3)0.036 (3)0.041 (3)0.003 (2)0.006 (2)0.005 (2)
C90.061 (3)0.092 (4)0.034 (3)−0.011 (3)0.006 (2)0.001 (3)
C70.053 (3)0.069 (3)0.040 (3)−0.005 (2)0.001 (2)0.012 (2)
C150.090 (4)0.032 (3)0.049 (3)0.006 (2)0.006 (3)−0.004 (2)
O40.075 (2)0.0348 (16)0.0403 (17)−0.0023 (15)0.0061 (15)0.0125 (14)
O50.096 (2)0.0325 (17)0.0463 (19)−0.0056 (17)0.0109 (18)−0.0029 (15)
C270.050 (3)0.035 (2)0.041 (3)0.002 (2)0.019 (2)0.004 (2)
C300.044 (3)0.036 (3)0.034 (2)0.003 (2)0.007 (2)0.012 (2)
C290.047 (3)0.035 (2)0.035 (2)−0.005 (2)0.007 (2)0.000 (2)
C280.037 (2)0.030 (2)0.037 (2)0.0043 (18)0.0109 (19)0.0021 (18)
C210.039 (3)0.040 (3)0.043 (2)0.004 (2)0.008 (2)−0.003 (2)
C200.037 (2)0.037 (2)0.028 (2)−0.0051 (19)0.0049 (18)0.0017 (18)
C220.044 (3)0.040 (3)0.038 (3)−0.006 (2)0.006 (2)−0.008 (2)
Geometric parameters (Å, °) top
Co1—O42.020 (3)C19—C201.505 (5)
Co1—O32.080 (3)C1—C21.394 (5)
Co1—O12.119 (3)C1—H1B0.9300
Co1—N22.122 (3)C3—C21.362 (5)
Co1—N12.182 (3)C3—H3B0.9300
Co1—O22.250 (3)C14—C151.369 (5)
Co1—C192.501 (4)C14—H14A0.9300
O1—C191.275 (5)C8—C71.377 (6)
O2—C191.248 (5)C8—C91.404 (7)
O3—H3WA0.96 (5)C8—H8A0.9300
O3—H3WB0.73 (5)C2—H2B0.9300
N1—C11.335 (4)C16—C151.389 (5)
N1—C181.340 (4)C16—H16A0.9300
C5—N41.336 (4)C9—H9A0.9300
C5—C121.426 (5)C7—H7A0.9300
C5—C41.462 (5)C15—H15A0.9300
N3—C121.323 (5)O4—C271.257 (4)
N3—C111.358 (5)O5—C271.243 (4)
N4—C61.358 (5)C27—C281.509 (5)
N2—C161.325 (5)C30—C29i1.381 (5)
N2—C171.360 (4)C30—C281.386 (5)
C6—C71.404 (5)C30—H300.85 (3)
C6—C111.416 (6)C29—C30i1.381 (5)
C4—C31.397 (5)C29—C281.386 (5)
C4—C181.401 (5)C29—H290.89 (4)
C18—C171.460 (5)C21—C201.380 (5)
C12—C131.471 (5)C21—C22ii1.394 (5)
C10—C91.360 (6)C21—H210.96 (3)
C10—C111.422 (5)C20—C221.389 (5)
C10—H10A0.9300C22—C21ii1.394 (5)
C13—C171.389 (5)C22—H220.91 (3)
C13—C141.390 (5)
O4—Co1—O386.90 (14)O2—C19—O1120.9 (4)
O4—Co1—O1111.62 (10)O2—C19—C20120.2 (4)
O3—Co1—O193.07 (12)O1—C19—C20118.9 (4)
O4—Co1—N288.55 (12)O2—C19—Co163.9 (2)
O3—Co1—N2123.37 (12)O1—C19—Co157.9 (2)
O1—Co1—N2139.90 (12)C20—C19—Co1169.5 (3)
O4—Co1—N1156.75 (11)N3—C11—C6122.1 (4)
O3—Co1—N187.56 (13)N3—C11—C10118.5 (4)
O1—Co1—N191.21 (11)C6—C11—C10119.4 (4)
N2—Co1—N175.79 (12)N1—C1—C2122.4 (4)
O4—Co1—O288.58 (11)N1—C1—H1B118.8
O3—Co1—O2148.78 (12)C2—C1—H1B118.8
O1—Co1—O260.22 (10)C2—C3—C4119.9 (4)
N2—Co1—O287.34 (11)C2—C3—H3B120.1
N1—Co1—O2107.40 (11)C4—C3—H3B120.1
O4—Co1—C1998.53 (12)C15—C14—C13119.4 (4)
O3—Co1—C19120.97 (14)C15—C14—H14A120.3
O1—Co1—C1930.64 (11)C13—C14—H14A120.3
N2—Co1—C19115.53 (14)C7—C8—C9121.0 (5)
N1—Co1—C19103.67 (12)C7—C8—H8A119.5
O2—Co1—C1929.85 (11)C9—C8—H8A119.5
C19—O1—Co191.5 (2)C3—C2—C1119.4 (4)
C19—O2—Co186.3 (2)C3—C2—H2B120.3
Co1—O3—H3WA112 (3)C1—C2—H2B120.3
Co1—O3—H3WB115 (4)N2—C16—C15123.7 (4)
H3WA—O3—H3WB95 (5)N2—C16—H16A118.1
C1—N1—C18117.8 (3)C15—C16—H16A118.1
C1—N1—Co1126.9 (3)C10—C9—C8120.9 (5)
C18—N1—Co1115.2 (2)C10—C9—H9A119.6
N4—C5—C12121.4 (4)C8—C9—H9A119.6
N4—C5—C4118.5 (4)C8—C7—C6119.4 (5)
C12—C5—C4120.1 (3)C8—C7—H7A120.3
C12—N3—C11116.0 (4)C6—C7—H7A120.3
C5—N4—C6116.7 (4)C14—C15—C16118.7 (4)
C16—N2—C17117.1 (3)C14—C15—H15A120.6
C16—N2—Co1125.9 (3)C16—C15—H15A120.6
C17—N2—Co1116.9 (2)C27—O4—Co1133.5 (3)
N4—C6—C7119.2 (4)O5—C27—O4126.5 (4)
N4—C6—C11121.0 (4)O5—C27—C28117.9 (4)
C7—C6—C11119.8 (4)O4—C27—C28115.6 (4)
C3—C4—C18116.7 (4)C29i—C30—C28121.5 (4)
C3—C4—C5123.6 (4)C29i—C30—H30119 (3)
C18—C4—C5119.6 (4)C28—C30—H30120 (3)
N1—C18—C4123.7 (3)C30i—C29—C28120.4 (4)
N1—C18—C17116.4 (3)C30i—C29—H29118 (3)
C4—C18—C17119.9 (3)C28—C29—H29121 (3)
N3—C12—C5122.7 (3)C30—C28—C29118.0 (4)
N3—C12—C13117.8 (4)C30—C28—C27121.6 (4)
C5—C12—C13119.5 (3)C29—C28—C27120.4 (4)
C9—C10—C11119.6 (5)C20—C21—C22ii120.8 (4)
C9—C10—H10A120.2C20—C21—H21119 (2)
C11—C10—H10A120.2C22ii—C21—H21120 (2)
C17—C13—C14118.1 (4)C21—C20—C22119.9 (4)
C17—C13—C12119.2 (3)C21—C20—C19120.7 (4)
C14—C13—C12122.7 (4)C22—C20—C19119.4 (4)
N2—C17—C13122.9 (3)C20—C22—C21ii119.3 (4)
N2—C17—C18115.6 (3)C20—C22—H22122 (2)
C13—C17—C18121.5 (3)C21ii—C22—H22119 (2)
O4—Co1—O1—C19−69.1 (2)Co1—O2—C19—O110.2 (4)
O3—Co1—O1—C19−157.0 (2)Co1—O2—C19—C20−169.0 (3)
N2—Co1—O1—C1946.2 (3)Co1—O1—C19—O2−10.9 (4)
N1—Co1—O1—C19115.4 (2)Co1—O1—C19—C20168.4 (3)
O2—Co1—O1—C195.9 (2)O4—Co1—C19—O2−71.8 (2)
O4—Co1—O2—C19110.0 (2)O3—Co1—C19—O2−163.3 (2)
O3—Co1—O2—C1928.3 (4)O1—Co1—C19—O2169.6 (4)
O1—Co1—O2—C19−6.1 (2)N2—Co1—C19—O220.6 (3)
N2—Co1—O2—C19−161.4 (2)N1—Co1—C19—O2101.2 (2)
N1—Co1—O2—C19−87.2 (2)O4—Co1—C19—O1118.6 (2)
O4—Co1—N1—C1−127.2 (4)O3—Co1—C19—O127.0 (3)
O3—Co1—N1—C1−50.9 (3)N2—Co1—C19—O1−149.0 (2)
O1—Co1—N1—C142.2 (3)N1—Co1—C19—O1−68.4 (2)
N2—Co1—N1—C1−176.2 (3)O2—Co1—C19—O1−169.6 (4)
O2—Co1—N1—C1101.2 (3)O4—Co1—C19—C2043.3 (18)
C19—Co1—N1—C170.5 (4)O3—Co1—C19—C20−48.2 (18)
O4—Co1—N1—C1849.1 (5)O1—Co1—C19—C20−75.2 (17)
O3—Co1—N1—C18125.4 (3)N2—Co1—C19—C20135.8 (17)
O1—Co1—N1—C18−141.6 (3)N1—Co1—C19—C20−143.6 (17)
N2—Co1—N1—C180.1 (3)O2—Co1—C19—C20115.2 (18)
O2—Co1—N1—C18−82.5 (3)C12—N3—C11—C6−0.8 (6)
C19—Co1—N1—C18−113.3 (3)C12—N3—C11—C10178.4 (4)
C12—C5—N4—C6−0.2 (5)N4—C6—C11—N3−0.1 (6)
C4—C5—N4—C6179.3 (3)C7—C6—C11—N3180.0 (4)
O4—Co1—N2—C1618.7 (3)N4—C6—C11—C10−179.4 (4)
O3—Co1—N2—C16104.0 (4)C7—C6—C11—C100.7 (6)
O1—Co1—N2—C16−104.1 (4)C9—C10—C11—N3179.7 (4)
N1—Co1—N2—C16−178.6 (4)C9—C10—C11—C6−1.0 (6)
O2—Co1—N2—C16−69.9 (3)C18—N1—C1—C2−1.2 (6)
C19—Co1—N2—C16−80.0 (4)Co1—N1—C1—C2175.0 (3)
O4—Co1—N2—C17−164.4 (3)C18—C4—C3—C2−2.8 (6)
O3—Co1—N2—C17−79.0 (3)C5—C4—C3—C2177.3 (4)
O1—Co1—N2—C1772.8 (3)C17—C13—C14—C152.0 (6)
N1—Co1—N2—C17−1.7 (3)C12—C13—C14—C15−178.5 (4)
O2—Co1—N2—C17107.0 (3)C4—C3—C2—C10.4 (7)
C19—Co1—N2—C1796.9 (3)N1—C1—C2—C31.8 (7)
C5—N4—C6—C7−179.5 (4)C17—N2—C16—C152.7 (6)
C5—N4—C6—C110.7 (6)Co1—N2—C16—C15179.6 (3)
N4—C5—C4—C3−1.4 (6)C11—C10—C9—C80.0 (7)
C12—C5—C4—C3178.1 (4)C7—C8—C9—C101.4 (7)
N4—C5—C4—C18178.6 (3)C9—C8—C7—C6−1.6 (7)
C12—C5—C4—C18−1.9 (6)N4—C6—C7—C8−179.3 (4)
C1—N1—C18—C4−1.5 (6)C11—C6—C7—C80.5 (6)
Co1—N1—C18—C4−178.1 (3)C13—C14—C15—C16−0.8 (7)
C1—N1—C18—C17178.1 (3)N2—C16—C15—C14−1.7 (7)
Co1—N1—C18—C171.5 (4)O3—Co1—O4—C2782.1 (4)
C3—C4—C18—N13.4 (6)O1—Co1—O4—C27−10.0 (4)
C5—C4—C18—N1−176.6 (3)N2—Co1—O4—C27−154.4 (4)
C3—C4—C18—C17−176.1 (4)N1—Co1—O4—C27158.6 (4)
C5—C4—C18—C173.9 (5)O2—Co1—O4—C27−67.0 (4)
C11—N3—C12—C51.3 (6)C19—Co1—O4—C27−38.8 (4)
C11—N3—C12—C13−176.9 (3)Co1—O4—C27—O5−7.5 (7)
N4—C5—C12—N3−0.8 (6)Co1—O4—C27—C28171.8 (3)
C4—C5—C12—N3179.7 (3)C29i—C30—C28—C29−1.2 (7)
N4—C5—C12—C13177.4 (3)C29i—C30—C28—C27179.9 (4)
C4—C5—C12—C13−2.1 (5)C30i—C29—C28—C301.2 (7)
N3—C12—C13—C17−177.7 (4)C30i—C29—C28—C27−179.9 (4)
C5—C12—C13—C174.1 (5)O5—C27—C28—C30173.0 (4)
N3—C12—C13—C142.8 (6)O4—C27—C28—C30−6.3 (6)
C5—C12—C13—C14−175.4 (4)O5—C27—C28—C29−5.9 (6)
C16—N2—C17—C13−1.3 (6)O4—C27—C28—C29174.8 (4)
Co1—N2—C17—C13−178.5 (3)C22ii—C21—C20—C220.0 (7)
C16—N2—C17—C18−179.8 (3)C22ii—C21—C20—C19−177.4 (4)
Co1—N2—C17—C183.0 (4)O2—C19—C20—C21−173.8 (4)
C14—C13—C17—N2−1.0 (6)O1—C19—C20—C217.0 (5)
C12—C13—C17—N2179.5 (3)Co1—C19—C20—C2176.3 (18)
C14—C13—C17—C18177.4 (4)O2—C19—C20—C228.8 (6)
C12—C13—C17—C18−2.2 (6)O1—C19—C20—C22−170.5 (4)
N1—C18—C17—N2−2.9 (5)Co1—C19—C20—C22−101.2 (18)
C4—C18—C17—N2176.6 (3)C21—C20—C22—C21ii0.0 (7)
N1—C18—C17—C13178.6 (4)C19—C20—C22—C21ii177.4 (4)
C4—C18—C17—C13−1.9 (6)
Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) −x, −y, −z+1.
Hydrogen-bond geometry (Å, °) top
D—H···AD—HH···AD···AD—H···A
O3—H3WA···O1iii0.96 (5)2.00 (5)2.877 (4)151 (4)
O3—H3WB···O5iii0.73 (5)1.94 (5)2.666 (4)179 (6)
Symmetry codes: (iii) −x+1, −y, −z+1.
Table 1
Selected geometric parameters (Å, °) top
Co1—O42.020 (3)Co1—N22.122 (3)
Co1—O32.080 (3)Co1—N12.182 (3)
Co1—O12.119 (3)Co1—O22.250 (3)
N2—Co1—N175.79 (12)O1—Co1—O260.22 (10)
Table 2
Hydrogen-bond geometry (Å, °) top
D—H···AD—HH···AD···AD—H···A
O3—H3WA···O1i0.96 (5)2.00 (5)2.877 (4)151 (4)
O3—H3WB···O5i0.73 (5)1.94 (5)2.666 (4)179 (6)
Symmetry codes: (i) −x+1, −y, −z+1.
Acknowledgements top

The authors thank BaiCheng Normal College for supporting this work.

references
References top

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