supplementary materials


HTML versionpdf versioncif file3d viewstructure factorssupplementary materialsCIF check reportsimilar papers buy article online

hb2577 scheme

Acta Cryst. (2007). E63, m2877    [ doi:10.1107/S1600536807052786 ]

catena-Poly[[(dipyrido[3,2-a:2',3'-c]phenazine)cadmium(II)]-[mu]-biphenyl-2,2'-dicarboxylato]

X.-J. Jin, W. Fang and X.-P. Li

Abstract top

In the title compound, [Cd(C14H8O4)(C18H10N4)]n, the CdII atom is coordinated by four O atoms from two different biphenyl-2,2'-dicarboxylate (bdc) dianions and two N atoms from the bidentate dipyrido[3,2-a:2',3'-c]phenazine (L) ligand, resulting in a very distorted cis-CdN2O4 octahedral geometry. The CdII ions are bridged by the bdc ligands to form a one-dimensional chain structure. Neighboring chains interact through [pi]-[pi] interactions [centroid-to-centroid separation = 3.496 (3) Å], resulting in a two-dimensional supramolecular network.

Comment top

The chelating ligand 1,10-phenanthroline (phen) and its derivatives have been widely used in the construction of metal–organic coordination polymers (Li et al., 2006). Here, we reacted dipydo[3,2 − a:2',3'-c]phenazine (L) with Cd2+ and 2,6'-biphenyl dicarboxylic acid, resulting in the title polymeric complex, (I).

In compound (I) the CdII atom is coordinated by one L ligand and two 2,6'-biphenyl dicarboxylate (bdc) dianions (Fig. 1) to result in a substantially distorted cis-CdN2O4 octahedron. The ligand bite angles are all less than 72°. The mean Cd—O and Cd—N distances are 2.319 (3) and 2.318 (4) Å, respectively. The similar C—O bond lengths of the bdc carboxylate groups imply electronic delocalization of their negative charges.

Neighboring CdII atoms are bridged by the bdc ligands, forming a one-dimensional chain structure (Fig. 2). Then, neighbouring chains are connected by π–π interactions, generating a two-dimensional supramolecular structure (Fig. 3). The π–π stacking distances are 3.496 (3) Å between L ligands. Similar values occur in related structures (Noveron et al., 2002).

Related literature top

For related literature, see: Li et al. (2007); Noveron et al. (2002). For the ligand synthesis, see: Dickeson & Summers (1970).

Experimental top

The L ligand was synthesized by the literature method of Dickeson & Summers (1970). A mixture of CdCl2·2H2O (0.3 mmol), L (0.1 mmol) and 2,6'-biphenyl dicarboxylic acid (0.3 mmol) in 30 ml of distilled water was stirred thoroughly for 1 h at room 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 yellow blocks of (I) were collected.

Refinement top

All H atoms were placed geometrically (C—H = 0.93 Å) and refined as riding with Uiso(H) = 1.2Ueq(carrier).

Computing details top

Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT (Bruker, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1998); software used to prepare material for publication: SHELXTL (Bruker, 1998).

Figures top
[Figure 1] Fig. 1. The asymmetric unit of (I), together with additional atoms to complete the coordination of Cd1 with displacement ellipsoids drawn at the 30% probability level (H atoms omitted for clarity). Symmetry code: (i) 3/2 − x, y − 1/2, 3/2 − z.
[Figure 2] Fig. 2. A view of the chain structure of (I). H atoms have been omitted for clarity.
[Figure 3] Fig. 3. View of the two-dimensional supramolecular structure of (I) generated by π–π interations. H atoms have been omitted for clarity.
catena-Poly[[(dipyrido[3,2 − a:2',3'-c]phenazine)cadmium(II)]- µ-biphenyl-2,2'-dicarboxylato] top
Crystal data top
[Cd(C14H8O4)(C18H10N4)]F000 = 1272
Mr = 634.90Dx = 1.660 Mg m−3
Monoclinic, P21/nMo Kα radiation
λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 1258 reflections
a = 9.4547 (10) Åθ = 2.3–26.0º
b = 12.4137 (13) ŵ = 0.91 mm−1
c = 22.015 (2) ÅT = 292 (2) K
β = 100.414 (2)ºBlock, yellow
V = 2541.3 (5) Å30.15 × 0.12 × 0.10 mm
Z = 4
Data collection top
Bruker APEXII
diffractometer		5027 independent reflections
Radiation source: fine-focus sealed tube2971 reflections with I > 2σ(I)
Monochromator: graphiteRint = 0.070
Detector resolution: 0 pixels mm-1θmax = 26.1º
T = 292(2) Kθmin = 1.9º
ω scansh = −10→11
Absorption correction: multi-scan
(SADABS; Bruker, 2002)		k = −15→15
Tmin = 0.881, Tmax = 0.915l = −27→23
13546 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-atom parameters constrained
wR(F2) = 0.101  w = 1/[σ2(Fo2) + (0.0354P)2]
where P = (Fo2 + 2Fc2)/3
S = 0.95(Δ/σ)max = 0.002
5027 reflectionsΔρmax = 0.73 e Å−3
370 parametersΔρmin = −0.35 e Å−3
Primary atom site location: structure-invariant direct methodsExtinction correction: none
Crystal data top
[Cd(C14H8O4)(C18H10N4)]V = 2541.3 (5) Å3
Mr = 634.90Z = 4
Monoclinic, P21/nMo Kα
a = 9.4547 (10) ŵ = 0.91 mm−1
b = 12.4137 (13) ÅT = 292 (2) K
c = 22.015 (2) Å0.15 × 0.12 × 0.10 mm
β = 100.414 (2)º
Data collection top
Bruker APEXII
diffractometer		5027 independent reflections
Absorption correction: multi-scan
(SADABS; Bruker, 2002)		2971 reflections with I > 2σ(I)
Tmin = 0.881, Tmax = 0.915Rint = 0.070
13546 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.047370 parameters
wR(F2) = 0.101H-atom parameters constrained
S = 0.95Δρmax = 0.73 e Å−3
5027 reflectionsΔρmin = −0.35 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
Cd10.67647 (4)0.27255 (3)0.699658 (16)0.04447 (14)
C150.9782 (7)−0.0721 (5)0.3188 (2)0.0632 (17)
H15A1.0326−0.07740.28770.076*
N20.7908 (4)0.2926 (3)0.61487 (17)0.0418 (10)
N30.9236 (4)0.1112 (3)0.44113 (17)0.0463 (11)
N40.7425 (4)−0.0625 (3)0.45997 (18)0.0451 (11)
N10.6417 (4)0.1177 (3)0.64049 (17)0.0427 (10)
C140.8838 (7)−0.1561 (5)0.3274 (3)0.0688 (18)
H14A0.8764−0.21530.30110.083*
C40.6869 (5)0.0239 (4)0.5504 (2)0.0377 (12)
C60.8477 (5)0.1110 (4)0.4866 (2)0.0413 (12)
C50.7600 (5)0.0224 (4)0.4971 (2)0.0404 (12)
C70.8573 (5)0.2064 (4)0.5264 (2)0.0395 (12)
C10.5694 (6)0.0318 (4)0.6544 (2)0.0512 (14)
H1A0.52930.03420.69000.061*
C30.7007 (5)0.1139 (4)0.5894 (2)0.0374 (12)
C90.9368 (6)0.2966 (4)0.5169 (2)0.0491 (14)
H9A0.98540.29830.48380.059*
C20.6083 (5)−0.0640 (4)0.5661 (2)0.0495 (14)
H2A0.5948−0.12450.54080.059*
C130.8032 (6)−0.1541 (4)0.3725 (2)0.0572 (15)
H13A0.7409−0.21040.37700.069*
C110.9098 (6)0.0230 (4)0.4037 (2)0.0466 (13)
C0310.7855 (5)0.2074 (4)0.5766 (2)0.0396 (12)
C100.8689 (6)0.3771 (4)0.6044 (2)0.0526 (14)
H10A0.87320.43550.63110.063*
C120.8165 (6)−0.0637 (4)0.4128 (2)0.0461 (14)
O20.6178 (4)0.4561 (3)0.69209 (16)0.0532 (10)
O10.4465 (4)0.3370 (3)0.67188 (17)0.0620 (10)
C190.4883 (6)0.4330 (4)0.6775 (2)0.0401 (12)
C170.9447 (6)0.3836 (5)0.5560 (2)0.0574 (15)
H17A0.99850.44430.55030.069*
C160.5510 (6)−0.0602 (4)0.6192 (3)0.0579 (15)
H16A0.5008−0.11870.63100.069*
C180.9907 (6)0.0171 (5)0.3557 (2)0.0542 (15)
H18A1.05150.07320.34930.065*
C210.2513 (6)0.5003 (4)0.6936 (2)0.0469 (13)
H21A0.23870.43360.71110.056*
C200.3766 (5)0.5201 (4)0.6692 (2)0.0375 (12)
C220.3937 (5)0.6185 (4)0.6406 (2)0.0361 (11)
C250.2847 (5)0.6948 (4)0.6400 (2)0.0486 (14)
H25A0.29370.76120.62140.058*
C230.1473 (6)0.5785 (5)0.6919 (2)0.0565 (15)
H23A0.06540.56500.70860.068*
C240.1654 (6)0.6760 (5)0.6655 (2)0.0559 (15)
H24A0.09650.72960.66490.067*
C260.5065 (5)0.6380 (3)0.6024 (2)0.0353 (11)
C270.6490 (5)0.6666 (4)0.6241 (2)0.0368 (11)
C280.4606 (6)0.6254 (4)0.5388 (2)0.0484 (13)
H28A0.36530.60680.52380.058*
C300.6930 (6)0.6629 (4)0.5189 (2)0.0533 (14)
H30A0.75630.66990.49140.064*
C310.5529 (6)0.6397 (4)0.4978 (2)0.0551 (15)
H31A0.51910.63330.45550.066*
C290.7421 (6)0.6764 (4)0.5818 (2)0.0498 (14)
H29A0.83850.69220.59600.060*
C320.7076 (5)0.6971 (4)0.6900 (2)0.0401 (12)
O40.6252 (3)0.7352 (3)0.72288 (14)0.0451 (8)
O30.8404 (4)0.6899 (3)0.70860 (15)0.0634 (11)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cd10.0506 (3)0.0467 (2)0.0365 (2)0.0082 (2)0.00888 (17)0.00026 (19)
C150.070 (5)0.086 (5)0.033 (3)0.038 (4)0.011 (3)0.006 (3)
N20.048 (3)0.043 (3)0.034 (2)0.000 (2)0.006 (2)0.0001 (19)
N30.050 (3)0.056 (3)0.032 (2)0.013 (2)0.006 (2)0.004 (2)
N40.044 (3)0.046 (3)0.042 (2)0.003 (2)−0.002 (2)−0.010 (2)
N10.047 (3)0.049 (3)0.035 (2)0.002 (2)0.014 (2)−0.0008 (19)
C140.082 (5)0.073 (5)0.046 (4)0.030 (4)−0.004 (3)−0.018 (3)
C40.033 (3)0.039 (3)0.039 (3)0.006 (2)0.001 (2)0.001 (2)
C60.042 (3)0.046 (3)0.034 (3)0.007 (2)0.002 (2)0.002 (2)
C50.038 (3)0.044 (3)0.037 (3)0.007 (2)0.000 (2)−0.001 (2)
C70.044 (3)0.039 (3)0.035 (3)0.006 (2)0.007 (2)0.000 (2)
C10.056 (4)0.051 (4)0.048 (3)0.002 (3)0.014 (3)0.002 (3)
C30.036 (3)0.038 (3)0.037 (3)0.011 (2)0.005 (2)0.004 (2)
C90.051 (4)0.058 (4)0.041 (3)0.001 (3)0.015 (3)0.004 (3)
C20.050 (4)0.041 (3)0.054 (3)0.001 (3)0.001 (3)−0.007 (3)
C130.068 (4)0.050 (4)0.049 (3)0.018 (3)0.001 (3)−0.010 (3)
C110.043 (3)0.056 (4)0.038 (3)0.016 (3)−0.001 (3)0.003 (3)
C0310.038 (3)0.044 (3)0.035 (3)0.009 (2)0.003 (2)0.004 (2)
C100.060 (4)0.041 (3)0.055 (3)−0.008 (3)0.006 (3)−0.011 (3)
C120.045 (3)0.057 (4)0.034 (3)0.018 (3)0.001 (3)−0.005 (3)
O20.039 (2)0.044 (2)0.077 (3)0.0016 (17)0.009 (2)0.0000 (18)
O10.053 (2)0.041 (2)0.089 (3)−0.0031 (19)0.005 (2)0.001 (2)
C190.046 (3)0.045 (3)0.031 (3)0.001 (3)0.012 (3)0.001 (2)
C170.059 (4)0.061 (4)0.056 (4)−0.009 (3)0.021 (3)0.001 (3)
C160.055 (4)0.053 (4)0.070 (4)0.000 (3)0.023 (3)0.002 (3)
C180.051 (4)0.071 (4)0.040 (3)0.024 (3)0.007 (3)0.003 (3)
C210.046 (3)0.051 (4)0.047 (3)−0.006 (3)0.016 (3)0.001 (3)
C200.035 (3)0.047 (3)0.031 (3)0.001 (2)0.007 (2)−0.008 (2)
C220.031 (3)0.036 (3)0.040 (3)−0.003 (2)0.002 (2)0.001 (2)
C250.039 (3)0.048 (3)0.058 (3)0.011 (3)0.007 (3)0.008 (3)
C230.036 (3)0.080 (4)0.056 (4)0.002 (3)0.015 (3)0.002 (3)
C240.036 (3)0.067 (4)0.065 (4)0.013 (3)0.011 (3)−0.002 (3)
C260.035 (3)0.040 (3)0.032 (3)0.005 (2)0.010 (2)0.001 (2)
C270.035 (3)0.044 (3)0.033 (3)0.001 (2)0.008 (2)0.007 (2)
C280.044 (3)0.054 (4)0.045 (3)−0.001 (3)0.001 (3)−0.004 (3)
C300.058 (4)0.070 (4)0.036 (3)0.001 (3)0.018 (3)0.004 (3)
C310.057 (4)0.074 (4)0.033 (3)0.002 (3)0.002 (3)−0.008 (3)
C290.039 (3)0.065 (4)0.045 (3)−0.005 (3)0.008 (3)0.003 (3)
C320.033 (3)0.046 (3)0.041 (3)−0.005 (2)0.006 (3)0.004 (2)
O40.037 (2)0.062 (2)0.0364 (18)0.0003 (17)0.0090 (16)−0.0078 (16)
O30.030 (2)0.113 (3)0.047 (2)0.002 (2)0.0054 (18)−0.016 (2)
Geometric parameters (Å, °) top
Cd1—N12.311 (4)C11—C121.429 (7)
Cd1—N22.333 (4)C10—C171.390 (6)
Cd1—O12.294 (4)C10—H10A0.9300
Cd1—O3i2.296 (3)O2—C191.242 (5)
Cd1—O4i2.342 (3)O1—C191.255 (5)
Cd1—O22.344 (3)C19—C201.499 (6)
C15—C181.366 (7)C17—H17A0.9300
C15—C141.408 (8)C16—H16A0.9300
C15—H15A0.9300C18—H18A0.9300
N2—C101.326 (6)C21—C231.377 (7)
N2—C0311.348 (6)C21—C201.408 (6)
N3—C61.333 (5)C21—H21A0.9300
N3—C111.362 (6)C20—C221.396 (6)
N4—C51.325 (6)C22—C251.398 (6)
N4—C121.353 (6)C22—C261.492 (6)
N1—C11.333 (6)C25—C241.368 (6)
N1—C31.343 (5)C25—H25A0.9300
C14—C131.358 (7)C23—C241.367 (7)
C14—H14A0.9300C23—H23A0.9300
C4—C21.398 (6)C24—H24A0.9300
C4—C31.401 (6)C26—C271.392 (6)
C4—C51.466 (6)C26—C281.399 (6)
C6—C51.421 (6)C27—C291.397 (6)
C6—C71.466 (6)C27—C321.504 (6)
C7—C91.385 (6)C28—C311.376 (6)
C7—C0311.397 (6)C28—H28A0.9300
C1—C161.373 (7)C30—C311.353 (7)
C1—H1A0.9300C30—C291.388 (6)
C3—C0311.468 (6)C30—H30A0.9300
C9—C171.375 (7)C31—H31A0.9300
C9—H9A0.9300C29—H29A0.9300
C2—C161.376 (6)C32—O41.249 (5)
C2—H2A0.9300C32—O31.252 (5)
C13—C121.421 (6)C32—Cd1ii2.649 (5)
C13—H13A0.9300O4—Cd1ii2.342 (3)
C11—C181.414 (6)O3—Cd1ii2.296 (3)
O1—Cd1—O3i100.21 (13)N4—C12—C13119.2 (5)
O1—Cd1—N196.23 (14)N4—C12—C11121.1 (5)
O3i—Cd1—N195.66 (14)C13—C12—C11119.7 (5)
O1—Cd1—N2107.66 (13)C19—O2—Cd190.2 (3)
O3i—Cd1—N2150.11 (13)C19—O1—Cd192.2 (3)
N1—Cd1—N271.16 (14)O2—C19—O1121.5 (5)
O1—Cd1—O4i149.20 (12)O2—C19—C20120.3 (5)
O3i—Cd1—O4i56.27 (11)O1—C19—C20118.1 (5)
N1—Cd1—O4i105.02 (12)O2—C19—Cd161.9 (3)
N2—Cd1—O4i100.25 (12)O1—C19—Cd159.6 (3)
O1—Cd1—O256.04 (12)C20—C19—Cd1175.3 (3)
O3i—Cd1—O2116.36 (13)C9—C17—C10117.2 (5)
N1—Cd1—O2139.51 (13)C9—C17—H17A121.4
N2—Cd1—O288.69 (13)C10—C17—H17A121.4
O4i—Cd1—O2113.09 (12)C1—C16—C2118.7 (5)
C18—C15—C14120.7 (6)C1—C16—H16A120.7
C18—C15—H15A119.7C2—C16—H16A120.7
C14—C15—H15A119.7C15—C18—C11119.1 (6)
C10—N2—C031118.1 (4)C15—C18—H18A120.5
C10—N2—Cd1125.2 (3)C11—C18—H18A120.5
C031—N2—Cd1116.6 (3)C23—C21—C20120.8 (5)
C6—N3—C11116.6 (4)C23—C21—H21A119.6
C5—N4—C12117.3 (4)C20—C21—H21A119.6
C1—N1—C3118.1 (4)C22—C20—C21119.9 (4)
C1—N1—Cd1124.2 (3)C22—C20—C19123.3 (4)
C3—N1—Cd1117.6 (3)C21—C20—C19116.8 (4)
C13—C14—C15122.5 (6)C20—C22—C25116.9 (4)
C13—C14—H14A118.7C20—C22—C26123.3 (4)
C15—C14—H14A118.7C25—C22—C26119.0 (4)
C2—C4—C3117.8 (5)C24—C25—C22122.8 (5)
C2—C4—C5122.5 (5)C24—C25—H25A118.6
C3—C4—C5119.7 (4)C22—C25—H25A118.6
N3—C6—C5122.2 (4)C24—C23—C21119.4 (5)
N3—C6—C7117.6 (5)C24—C23—H23A120.3
C5—C6—C7120.2 (5)C21—C23—H23A120.3
N4—C5—C6121.8 (5)C23—C24—C25120.1 (5)
N4—C5—C4118.6 (5)C23—C24—H24A119.9
C6—C5—C4119.6 (4)C25—C24—H24A119.9
C9—C7—C031117.8 (4)C27—C26—C28118.6 (4)
C9—C7—C6122.7 (5)C27—C26—C22126.4 (4)
C031—C7—C6119.6 (4)C28—C26—C22115.0 (4)
N1—C1—C16123.6 (5)C26—C27—C29118.7 (4)
N1—C1—H1A118.2C26—C27—C32124.0 (4)
C16—C1—H1A118.2C29—C27—C32117.0 (4)
N1—C3—C4122.4 (4)C31—C28—C26121.6 (5)
N1—C3—C031117.2 (4)C31—C28—H28A119.2
C4—C3—C031120.4 (4)C26—C28—H28A119.2
C17—C9—C7120.7 (5)C31—C30—C29119.9 (5)
C17—C9—H9A119.7C31—C30—H30A120.0
C7—C9—H9A119.7C29—C30—H30A120.0
C16—C2—C4119.4 (5)C30—C31—C28119.9 (5)
C16—C2—H2A120.3C30—C31—H31A120.0
C4—C2—H2A120.3C28—C31—H31A120.0
C14—C13—C12118.2 (6)C30—C29—C27121.1 (5)
C14—C13—H13A120.9C30—C29—H29A119.4
C12—C13—H13A120.9C27—C29—H29A119.4
N3—C11—C18119.2 (5)O4—C32—O3122.1 (4)
N3—C11—C12121.0 (5)O4—C32—C27119.7 (4)
C18—C11—C12119.8 (5)O3—C32—C27118.1 (4)
N2—C031—C7122.3 (4)O4—C32—Cd1ii62.1 (2)
N2—C031—C3117.4 (4)O3—C32—Cd1ii60.0 (2)
C7—C031—C3120.4 (4)C27—C32—Cd1ii172.9 (3)
N2—C10—C17124.0 (5)C32—O4—Cd1ii89.8 (3)
N2—C10—H10A118.0C32—O3—Cd1ii91.8 (3)
C17—C10—H10A118.0
O1—Cd1—N2—C1092.5 (4)C4—C3—C031—C7−2.0 (7)
O3i—Cd1—N2—C10−109.5 (4)C031—N2—C10—C170.6 (8)
N1—Cd1—N2—C10−176.8 (4)Cd1—N2—C10—C17175.0 (4)
O4i—Cd1—N2—C10−74.3 (4)C5—N4—C12—C13178.7 (4)
O2—Cd1—N2—C1038.9 (4)C5—N4—C12—C110.2 (7)
C32i—Cd1—N2—C10−85.1 (4)C14—C13—C12—N4−176.8 (4)
C19—Cd1—N2—C1064.7 (4)C14—C13—C12—C111.8 (7)
O1—Cd1—N2—C031−93.0 (3)N3—C11—C12—N4−2.1 (7)
O3i—Cd1—N2—C03165.0 (4)C18—C11—C12—N4177.1 (4)
N1—Cd1—N2—C031−2.4 (3)N3—C11—C12—C13179.3 (4)
O4i—Cd1—N2—C031100.1 (3)C18—C11—C12—C13−1.4 (7)
O2—Cd1—N2—C031−146.6 (3)O1—Cd1—O2—C190.9 (3)
C32i—Cd1—N2—C03189.4 (3)O3i—Cd1—O2—C19−83.7 (3)
C19—Cd1—N2—C031−120.8 (3)N1—Cd1—O2—C1954.9 (4)
O1—Cd1—N1—C1−74.4 (4)N2—Cd1—O2—C19113.3 (3)
O3i—Cd1—N1—C126.6 (4)O4i—Cd1—O2—C19−146.1 (3)
N2—Cd1—N1—C1179.0 (4)C32i—Cd1—O2—C19−115.3 (3)
O4i—Cd1—N1—C183.1 (4)O3i—Cd1—O1—C19114.1 (3)
O2—Cd1—N1—C1−116.9 (4)N1—Cd1—O1—C19−149.0 (3)
C32i—Cd1—N1—C154.3 (4)N2—Cd1—O1—C19−76.8 (3)
C19—Cd1—N1—C1−90.7 (4)O4i—Cd1—O1—C1977.2 (4)
O1—Cd1—N1—C3106.9 (3)O2—Cd1—O1—C19−0.9 (3)
O3i—Cd1—N1—C3−152.2 (3)C32i—Cd1—O1—C19100.8 (3)
N2—Cd1—N1—C30.3 (3)Cd1—O2—C19—O1−1.6 (5)
O4i—Cd1—N1—C3−95.6 (3)Cd1—O2—C19—C20175.3 (4)
O2—Cd1—N1—C364.4 (4)Cd1—O1—C19—O21.6 (5)
C32i—Cd1—N1—C3−124.5 (3)Cd1—O1—C19—C20−175.3 (3)
C19—Cd1—N1—C390.6 (3)C7—C9—C17—C10−0.6 (8)
C18—C15—C14—C13−1.1 (9)N2—C10—C17—C90.2 (8)
C11—N3—C6—C51.9 (6)N1—C1—C16—C2−0.9 (8)
C11—N3—C6—C7−178.2 (4)C4—C2—C16—C11.9 (8)
C12—N4—C5—C62.7 (7)C14—C15—C18—C111.5 (8)
C12—N4—C5—C4−177.1 (4)N3—C11—C18—C15179.0 (4)
N3—C6—C5—N4−3.9 (7)C12—C11—C18—C15−0.2 (7)
C7—C6—C5—N4176.1 (4)C23—C21—C20—C22−2.6 (7)
N3—C6—C5—C4175.8 (4)C23—C21—C20—C19175.6 (5)
C7—C6—C5—C4−4.1 (7)O2—C19—C20—C2240.2 (7)
C2—C4—C5—N44.8 (7)O1—C19—C20—C22−142.9 (5)
C3—C4—C5—N4−178.3 (4)O2—C19—C20—C21−137.9 (5)
C2—C4—C5—C6−174.9 (5)O1—C19—C20—C2139.0 (6)
C3—C4—C5—C61.9 (7)C21—C20—C22—C252.3 (7)
N3—C6—C7—C92.4 (7)C19—C20—C22—C25−175.8 (4)
C5—C6—C7—C9−177.6 (5)C21—C20—C22—C26−166.9 (4)
N3—C6—C7—C031−176.7 (4)C19—C20—C22—C2615.0 (7)
C5—C6—C7—C0313.3 (7)C20—C22—C25—C24−0.3 (7)
C3—N1—C1—C16−0.5 (8)C26—C22—C25—C24169.4 (5)
Cd1—N1—C1—C16−179.3 (4)C20—C21—C23—C240.8 (8)
C1—N1—C3—C40.9 (7)C21—C23—C24—C251.2 (8)
Cd1—N1—C3—C4179.7 (3)C22—C25—C24—C23−1.5 (8)
C1—N1—C3—C031−177.2 (4)C20—C22—C26—C27−83.7 (6)
Cd1—N1—C3—C0311.6 (5)C25—C22—C26—C27107.3 (6)
C2—C4—C3—N10.2 (7)C20—C22—C26—C2896.1 (5)
C5—C4—C3—N1−176.8 (4)C25—C22—C26—C28−72.9 (6)
C2—C4—C3—C031178.1 (4)C28—C26—C27—C29−3.0 (7)
C5—C4—C3—C0311.1 (7)C22—C26—C27—C29176.8 (4)
C031—C7—C9—C170.2 (7)C28—C26—C27—C32171.6 (4)
C6—C7—C9—C17−178.9 (5)C22—C26—C27—C32−8.6 (7)
C3—C4—C2—C16−1.6 (7)C27—C26—C28—C310.5 (7)
C5—C4—C2—C16175.3 (4)C22—C26—C28—C31−179.3 (4)
C15—C14—C13—C12−0.6 (8)C29—C30—C31—C28−2.5 (8)
C6—N3—C11—C18−178.2 (4)C26—C28—C31—C302.3 (8)
C6—N3—C11—C121.0 (6)C31—C30—C29—C27−0.2 (8)
C10—N2—C031—C7−1.0 (7)C26—C27—C29—C302.9 (7)
Cd1—N2—C031—C7−175.9 (3)C32—C27—C29—C30−172.0 (5)
C10—N2—C031—C3179.0 (4)C26—C27—C32—O4−25.8 (7)
Cd1—N2—C031—C34.1 (5)C29—C27—C32—O4148.9 (4)
C9—C7—C031—N20.6 (7)C26—C27—C32—O3159.0 (5)
C6—C7—C031—N2179.7 (4)C29—C27—C32—O3−26.3 (7)
C9—C7—C031—C3−179.4 (4)O3—C32—O4—Cd1ii2.9 (5)
C6—C7—C031—C3−0.2 (7)C27—C32—O4—Cd1ii−172.1 (4)
N1—C3—C031—N2−3.9 (6)O4—C32—O3—Cd1ii−3.0 (5)
C4—C3—C031—N2178.1 (4)C27—C32—O3—Cd1ii172.1 (4)
N1—C3—C031—C7176.1 (4)
Symmetry codes: (i) −x+3/2, y−1/2, −z+3/2; (ii) −x+3/2, y+1/2, −z+3/2.
Table 1
Selected geometric parameters (Å, °) top
Cd1—N12.311 (4)Cd1—O3i2.296 (3)
Cd1—N22.333 (4)Cd1—O4i2.342 (3)
Cd1—O12.294 (4)Cd1—O22.344 (3)
N1—Cd1—N271.16 (14)O1—Cd1—O256.04 (12)
O3i—Cd1—O4i56.27 (11)
Symmetry codes: (i) −x+3/2, y−1/2, −z+3/2.
Acknowledgements top

The authors thank BaiCheng Normal College for supporting this work.

references
References top

Bruker (1998). SHELXTL. Bruker AXS Inc., Madison, Wisconsin, USA.

Bruker (2002). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.

Dickeson, J. E. & Summers, L. A. (1970). Aust. J. Chem. 23, 1023–1027.

Li, C.-B., Fang, W., Gao, G.-G. & Liu, B. (2007). Acta Cryst. E63, m150–m152. [These authors do not match this page range. Please check]

Noveron, J. C., Lah, M. S., Sesto, R. E. D., Arif, A. M., Miller, J. S. & Stang, P. J. (2002). J. Am. Chem. Soc. 124, 6613–6625.

Sheldrick, G. M. (1997). SHELXS97 and SHELXL97. University of Göttingen, Germany.