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Acta Cryst. (2008). E64, m322    [ doi:10.1107/S1600536807056541 ]

(5,6:19,20-Dibenzo-1,4,11,14-tetraoxa-8,17-diazacycloeicosane-[kappa]4N8,O11,O14,N17)dinitrato-[kappa]4O,O'-cadmium(II)

T.-T. Han, J.-F. Ma, L.-P. Zhang and Q.-J. Li

Abstract top

In the title compound, [Cd(NO3)2(C22H30N2O4)], the CdII atom is eight-coordinated by two amine N atoms and two O atoms from the 5,6:19,20-dibenzo-1,4,11,14-tetraoxa-8,17-diazacycloeicosane ligand and four O atoms from two nitrate groups. The coordination geometry about Cd is antiprismatic. One nitro O atom is disordered equally over two positions.

Comment top

In the last few decades, the modification of the macrocycles to control and tune the properties of coordinated metal atoms has been the subject of much interest (Meyerstein, 1990; Vicente et al., 2003). We are involved in studies of oxaaza-macrocycles and their metal coordination compounds. In this paper, we report the preparation and crystal structure of the title macrocyclic complex of CdII.

In the structure of the title compound, CdII is eight-coordinated by two N atoms and two O atoms from ligand L and four O atoms from two nitrate groups. The title compound displays an antiprismatic geometry (Fig. 1). The bond distances and angles around the Cd atom are nomal (Popović et al., 2006).

Related literature top

For related literature, see: López-Deber et al. (2005); Vicente et al. (2003); Meyerstein (1990); Popović et al. (2006).

Experimental top

Ligand L was synthesized according to the reported method (López-Deber et al., 2005). A solution of Cd(NO3)2.4H2O (0.03 g, 0.10 mmol) in 5 ml e thanol was added dropwise to a solution of H2L (0.039 g, 0.10 mmol) in 6 ml e thanol. After stirring for 30 min, the mixture was filtered. Colorless crystals were obtained by evaporating the filtrate at room temperature (yield 50%).

Refinement top

The C-bound H atoms were positioned geometrically and refined as riding atoms, with C—H distances of 0.93–0.97 Å and Uiso(H) = 1.2Ueq(C) for aromatic and methylene H atoms. The disordered nitrate group was refined using O atom split over two sites, with a total occupancy of 1.

Computing details top

Data collection: SMART (Bruker, 1997); cell refinement: SAINT (Bruker, 1999); data reduction: SAINT (Bruker, 1999); 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: SHELXL97 (Sheldrick, 1997).

Figures top
[Figure 1] Fig. 1. A view of the molecule of I. Displacement ellipsoids are drawn at the 30% probability level. H atoms have been omitted for clarity. Only one disorder site is shown for a nitrate.
[5,6:19,20-Dibenzo-1,4,11,14-tetraoxa-8,17-diazacycloeicosane- κ4N8,O11,O14,N17]dinitrato-κ4O,O'-cadmium(II) top
Crystal data top
[Cd(NO3)2(C22H30N2O4)]F000 = 1272
Mr = 622.90Dx = 1.625 Mg m−3
Monoclinic, P21/cMo Kα radiation
λ = 0.71069 Å
Hall symbol: -P 2ybcCell parameters from 3767 reflections
a = 13.167 (3) Åθ = 1.6–25.2º
b = 7.6750 (15) ŵ = 0.92 mm−1
c = 25.227 (5) ÅT = 293 (2) K
β = 92.568 (4)ºBlock, colourless
V = 2546.8 (9) Å30.22 × 0.21 × 0.19 mm
Z = 4
Data collection top
Bruker APEX CCD area-detector
diffractometer		4558 independent reflections
Radiation source: fine-focus sealed tube3767 reflections with I > 2σ(I)
Monochromator: graphiteRint = 0.056
T = 293(2) Kθmax = 25.2º
ω scansθmin = 1.6º
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)		h = −15→14
Tmin = 0.82, Tmax = 0.84k = −9→8
12190 measured reflectionsl = −30→23
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)] = 0.041H atoms treated by a mixture of
independent and constrained refinement
wR(F2) = 0.105  w = 1/[σ2(Fo2) + (0.0554P)2 + 0.8726P]
where P = (Fo2 + 2Fc2)/3
S = 1.04(Δ/σ)max < 0.001
4558 reflectionsΔρmax = 1.00 e Å−3
349 parametersΔρmin = −1.00 e Å−3
1 restraintExtinction correction: none
Primary atom site location: structure-invariant direct methods
Crystal data top
[Cd(NO3)2(C22H30N2O4)]V = 2546.8 (9) Å3
Mr = 622.90Z = 4
Monoclinic, P21/cMo Kα
a = 13.167 (3) ŵ = 0.92 mm−1
b = 7.6750 (15) ÅT = 293 (2) K
c = 25.227 (5) Å0.22 × 0.21 × 0.19 mm
β = 92.568 (4)º
Data collection top
Bruker APEX CCD area-detector
diffractometer		4558 independent reflections
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)		3767 reflections with I > 2σ(I)
Tmin = 0.82, Tmax = 0.84Rint = 0.056
12190 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0411 restraint
wR(F2) = 0.105H atoms treated by a mixture of
independent and constrained refinement
S = 1.04Δρmax = 1.00 e Å−3
4558 reflectionsΔρmin = −1.00 e Å−3
349 parameters
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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Cd10.237559 (19)0.06536 (3)0.068001 (9)0.03453 (12)
C10.3037 (3)0.2975 (5)0.26599 (15)0.0463 (9)
C20.3327 (4)0.3662 (6)0.31505 (16)0.0567 (11)
H20.28980.44180.33230.068*
C30.4250 (3)0.3218 (6)0.33784 (16)0.0556 (11)
H30.44480.36690.37090.067*
C40.4888 (3)0.2114 (6)0.31257 (17)0.0566 (11)
H40.55220.18390.32810.068*
C50.4585 (3)0.1415 (5)0.26411 (16)0.0501 (10)
H50.50200.06650.24710.060*
C60.3642 (3)0.1809 (5)0.24025 (14)0.0422 (9)
C70.1505 (5)0.4558 (8)0.2560 (3)0.110 (3)
H7A0.18730.56510.25440.132*
H7B0.13730.43500.29300.132*
C80.0537 (3)0.4785 (6)0.22754 (19)0.0597 (12)
H8A0.00220.50320.25280.072*
H8B0.05790.57850.20420.072*
C9−0.0699 (3)0.3258 (5)0.17268 (16)0.0460 (9)
C10−0.1521 (3)0.4239 (5)0.18653 (18)0.0552 (11)
H10−0.14540.50670.21340.066*
C11−0.2452 (3)0.3972 (6)0.15981 (19)0.0587 (11)
H11−0.30150.46110.16950.070*
C12−0.2557 (3)0.2788 (6)0.11950 (17)0.0550 (10)
H12−0.31810.26420.10140.066*
C13−0.1727 (3)0.1810 (5)0.10590 (16)0.0479 (9)
H13−0.17980.09940.07870.057*
C14−0.0788 (3)0.2032 (5)0.13236 (14)0.0414 (8)
C150.3261 (3)0.0939 (5)0.18976 (15)0.0454 (9)
H15A0.37320.00170.18140.054*
H15B0.26120.03970.19600.054*
C160.0130 (3)0.1004 (4)0.11704 (16)0.0412 (8)
H16A0.05210.06780.14900.049*
H16B−0.0097−0.00590.09940.049*
C170.4099 (3)0.2851 (5)0.12706 (16)0.0478 (9)
H17A0.45570.19270.11730.057*
H17B0.44150.34820.15670.057*
C180.3922 (4)0.4067 (5)0.08089 (18)0.0577 (11)
H18A0.35280.50680.09140.069*
H18B0.45650.44760.06830.069*
C190.3169 (4)0.4064 (5)−0.00699 (17)0.0543 (11)
H19A0.37950.4405−0.02300.065*
H19B0.27820.51050.00030.065*
C200.2563 (3)0.2872 (6)−0.04333 (15)0.0541 (10)
H20A0.22930.3534−0.07350.065*
H20B0.30080.1979−0.05650.065*
C210.0930 (3)0.3238 (5)−0.00682 (16)0.0474 (9)
H21A0.05500.3526−0.03950.057*
H21B0.12020.43080.00860.057*
C220.0255 (3)0.2383 (5)0.03056 (15)0.0445 (9)
H22A−0.03140.31450.03700.053*
H22B−0.00120.13160.01480.053*
N10.3131 (2)0.2088 (4)0.14301 (11)0.0380 (7)
N20.0799 (2)0.1973 (4)0.08151 (12)0.0362 (7)
N30.1614 (3)−0.2792 (4)0.09950 (14)0.0510 (8)
N40.3934 (3)−0.1361 (4)0.02528 (15)0.0504 (8)
O10.2109 (2)0.3313 (4)0.24031 (13)0.0725 (10)
O20.0240 (2)0.3344 (4)0.19770 (14)0.0711 (10)
O30.3384 (2)0.3117 (3)0.04042 (10)0.0510 (7)
O40.1745 (2)0.2061 (3)−0.01765 (9)0.0444 (6)
O50.3898 (3)−0.1102 (5)0.07408 (14)0.0717 (9)
O60.3226 (3)−0.0730 (4)−0.00288 (13)0.0649 (9)
O70.4605 (3)−0.2216 (5)0.00709 (18)0.0926 (12)
O80.1473 (3)−0.2092 (4)0.05524 (13)0.0673 (8)
O90.1617 (10)−0.439 (3)0.1075 (11)0.067 (4)0.50
O100.1959 (3)−0.1895 (4)0.13589 (14)0.0847 (11)
O110.1198 (10)−0.424 (3)0.1043 (11)0.075 (4)0.50
H1N0.272 (4)0.298 (7)0.150 (2)0.090*
H2N0.098 (4)0.287 (8)0.096 (2)0.090*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cd10.04017 (18)0.02992 (17)0.03375 (17)0.00307 (10)0.00432 (12)−0.00144 (9)
C10.049 (2)0.047 (2)0.043 (2)−0.0025 (18)0.0002 (18)−0.0047 (17)
C20.070 (3)0.055 (2)0.045 (2)−0.006 (2)0.001 (2)−0.0145 (19)
C30.067 (3)0.062 (3)0.037 (2)−0.019 (2)−0.004 (2)−0.0040 (19)
C40.061 (3)0.052 (2)0.055 (2)−0.013 (2)−0.015 (2)0.011 (2)
C50.056 (2)0.043 (2)0.051 (2)0.0012 (19)0.000 (2)0.0005 (17)
C60.054 (2)0.0334 (19)0.0387 (19)−0.0028 (17)−0.0029 (18)−0.0004 (15)
C70.088 (4)0.077 (4)0.160 (6)0.035 (3)−0.051 (4)−0.068 (4)
C80.069 (3)0.045 (2)0.065 (3)0.012 (2)−0.002 (2)−0.021 (2)
C90.049 (2)0.040 (2)0.049 (2)0.0082 (18)0.0055 (19)−0.0021 (17)
C100.058 (3)0.051 (2)0.057 (3)0.014 (2)0.010 (2)−0.0077 (19)
C110.052 (3)0.058 (3)0.068 (3)0.020 (2)0.015 (2)0.003 (2)
C120.045 (2)0.060 (3)0.060 (3)0.003 (2)0.008 (2)0.004 (2)
C130.047 (2)0.046 (2)0.051 (2)−0.0023 (18)0.0070 (19)−0.0009 (17)
C140.045 (2)0.0354 (19)0.044 (2)0.0011 (16)0.0102 (17)0.0007 (16)
C150.058 (2)0.036 (2)0.041 (2)0.0021 (17)−0.0024 (19)−0.0043 (15)
C160.047 (2)0.0306 (18)0.046 (2)0.0049 (16)0.0073 (18)−0.0012 (15)
C170.043 (2)0.050 (2)0.050 (2)−0.0066 (18)0.0027 (18)−0.0054 (18)
C180.067 (3)0.048 (2)0.057 (3)−0.013 (2)0.003 (2)0.0000 (19)
C190.055 (2)0.057 (3)0.052 (2)−0.002 (2)0.020 (2)0.0180 (19)
C200.063 (3)0.063 (3)0.038 (2)0.006 (2)0.0227 (19)0.0073 (19)
C210.056 (2)0.039 (2)0.047 (2)0.0117 (18)−0.0001 (19)0.0057 (17)
C220.047 (2)0.037 (2)0.050 (2)0.0064 (17)−0.0003 (18)0.0011 (16)
N10.0424 (17)0.0356 (16)0.0361 (16)0.0006 (13)0.0027 (14)−0.0016 (13)
N20.0402 (16)0.0287 (15)0.0401 (16)0.0027 (13)0.0037 (13)−0.0051 (12)
N30.064 (2)0.0343 (18)0.055 (2)−0.0062 (17)0.0082 (18)−0.0069 (16)
N40.051 (2)0.0383 (18)0.063 (2)0.0029 (16)0.0114 (18)−0.0043 (16)
O10.0618 (19)0.079 (2)0.074 (2)0.0264 (17)−0.0188 (17)−0.0395 (18)
O20.0611 (19)0.0554 (19)0.095 (2)0.0182 (15)−0.0221 (18)−0.0349 (17)
O30.0648 (18)0.0436 (15)0.0444 (14)−0.0110 (13)0.0024 (13)0.0079 (12)
O40.0554 (16)0.0399 (14)0.0385 (13)0.0078 (12)0.0076 (12)−0.0001 (11)
O50.076 (2)0.074 (2)0.063 (2)0.0211 (18)−0.0111 (19)−0.0101 (17)
O60.071 (2)0.065 (2)0.0579 (19)0.0131 (16)−0.0053 (17)−0.0043 (14)
O70.075 (2)0.071 (2)0.135 (3)0.0246 (19)0.044 (2)−0.018 (2)
O80.079 (2)0.0600 (19)0.0618 (19)−0.0019 (16)−0.0068 (17)0.0067 (16)
O90.076 (9)0.036 (5)0.091 (7)−0.017 (8)0.008 (9)−0.002 (4)
O100.122 (3)0.054 (2)0.075 (2)−0.0126 (19)−0.023 (2)−0.0153 (17)
O110.090 (11)0.048 (7)0.087 (7)−0.031 (9)0.006 (11)−0.004 (5)
Geometric parameters (Å, °) top
Cd1—N22.348 (3)C14—C161.508 (5)
Cd1—N12.369 (3)C15—N11.476 (5)
Cd1—O62.399 (3)C15—H15A0.9700
Cd1—O52.415 (3)C15—H15B0.9700
Cd1—O32.430 (3)C16—N21.484 (5)
Cd1—O82.433 (3)C16—H16A0.9700
Cd1—O42.523 (2)C16—H16B0.9700
Cd1—O102.673 (2)C17—N11.475 (5)
C1—C61.380 (5)C17—C181.503 (6)
C1—O11.382 (5)C17—H17A0.9700
C1—C21.383 (5)C17—H17B0.9700
C2—C31.364 (6)C18—O31.418 (5)
C2—H20.9300C18—H18A0.9700
C3—C41.370 (6)C18—H18B0.9700
C3—H30.9300C19—O31.417 (5)
C4—C51.378 (6)C19—C201.499 (6)
C4—H40.9300C19—H19A0.9700
C5—C61.389 (5)C19—H19B0.9700
C5—H50.9300C20—O41.425 (5)
C6—C151.504 (5)C20—H20A0.9700
C7—O11.315 (6)C20—H20B0.9700
C7—C81.445 (6)C21—O41.439 (4)
C7—H7A0.9700C21—C221.477 (6)
C7—H7B0.9700C21—H21A0.9700
C8—O21.384 (5)C21—H21B0.9700
C8—H8A0.9700C22—N21.477 (5)
C8—H8B0.9700C22—H22A0.9700
C9—O21.364 (5)C22—H22B0.9700
C9—C101.377 (6)N1—H1N0.90 (6)
C9—C141.387 (5)N2—H2N0.81 (6)
C10—C111.387 (6)N3—O101.219 (4)
C10—H100.9300N3—O91.24 (2)
C11—C121.366 (6)N3—O81.245 (4)
C11—H110.9300N3—O111.25 (2)
C12—C131.381 (6)N4—O71.207 (4)
C12—H120.9300N4—O61.245 (4)
C13—C141.389 (5)N4—O51.250 (5)
C13—H130.9300O9—O110.57 (2)
N2—Cd1—N191.47 (10)N2—C16—C14113.4 (3)
N2—Cd1—O6138.07 (10)N2—C16—H16A108.9
N1—Cd1—O6127.43 (11)C14—C16—H16A108.9
N2—Cd1—O5165.52 (12)N2—C16—H16B108.9
N1—Cd1—O583.75 (11)C14—C16—H16B108.9
O6—Cd1—O552.16 (11)H16A—C16—H16B107.7
N2—Cd1—O3101.75 (10)N1—C17—C18110.6 (3)
N1—Cd1—O369.64 (10)N1—C17—H17A109.5
O6—Cd1—O381.48 (10)C18—C17—H17A109.5
O5—Cd1—O389.42 (12)N1—C17—H17B109.5
N2—Cd1—O887.88 (11)C18—C17—H17B109.5
N1—Cd1—O8133.87 (10)H17A—C17—H17B108.1
O6—Cd1—O876.09 (12)O3—C18—C17107.1 (3)
O5—Cd1—O885.66 (11)O3—C18—H18A110.3
O3—Cd1—O8154.93 (10)C17—C18—H18A110.3
N2—Cd1—O471.36 (9)O3—C18—H18B110.3
N1—Cd1—O4126.54 (10)C17—C18—H18B110.3
O6—Cd1—O472.42 (9)H18A—C18—H18B108.6
O5—Cd1—O4122.27 (10)O3—C19—C20106.5 (3)
O3—Cd1—O465.46 (8)O3—C19—H19A110.4
O8—Cd1—O496.74 (9)C20—C19—H19A110.4
C6—C1—O1114.7 (3)O3—C19—H19B110.4
C6—C1—C2121.8 (4)C20—C19—H19B110.4
O1—C1—C2123.4 (4)H19A—C19—H19B108.6
C3—C2—C1119.1 (4)O4—C20—C19112.4 (3)
C3—C2—H2120.4O4—C20—H20A109.1
C1—C2—H2120.4C19—C20—H20A109.1
C2—C3—C4120.8 (4)O4—C20—H20B109.1
C2—C3—H3119.6C19—C20—H20B109.1
C4—C3—H3119.6H20A—C20—H20B107.9
C3—C4—C5119.6 (4)O4—C21—C22108.5 (3)
C3—C4—H4120.2O4—C21—H21A110.0
C5—C4—H4120.2C22—C21—H21A110.0
C4—C5—C6121.1 (4)O4—C21—H21B110.0
C4—C5—H5119.4C22—C21—H21B110.0
C6—C5—H5119.4H21A—C21—H21B108.4
C1—C6—C5117.5 (3)N2—C22—C21111.6 (3)
C1—C6—C15120.6 (3)N2—C22—H22A109.3
C5—C6—C15121.9 (4)C21—C22—H22A109.3
O1—C7—C8118.0 (4)N2—C22—H22B109.3
O1—C7—H7A107.8C21—C22—H22B109.3
C8—C7—H7A107.8H22A—C22—H22B108.0
O1—C7—H7B107.8C17—N1—C15112.6 (3)
C8—C7—H7B107.8C17—N1—Cd1107.7 (2)
H7A—C7—H7B107.1C15—N1—Cd1113.0 (2)
O2—C8—C7113.3 (4)C17—N1—H1N107 (4)
O2—C8—H8A108.9C15—N1—H1N110 (4)
C7—C8—H8A108.9Cd1—N1—H1N106 (3)
O2—C8—H8B108.9C22—N2—C16110.8 (3)
C7—C8—H8B108.9C22—N2—Cd1111.3 (2)
H8A—C8—H8B107.7C16—N2—Cd1115.1 (2)
O2—C9—C10124.3 (4)C22—N2—H2N110 (4)
O2—C9—C14114.7 (3)C16—N2—H2N109 (4)
C10—C9—C14121.0 (4)Cd1—N2—H2N101 (4)
C9—C10—C11118.9 (4)O10—N3—O9115.9 (12)
C9—C10—H10120.5O10—N3—O8117.9 (3)
C11—C10—H10120.5O9—N3—O8124.8 (13)
C12—C11—C10121.1 (4)O10—N3—O11125.5 (13)
C12—C11—H11119.4O8—N3—O11115.0 (12)
C10—C11—H11119.4O7—N4—O6122.5 (4)
C11—C12—C13119.5 (4)O7—N4—O5121.5 (4)
C11—C12—H12120.3O6—N4—O5116.0 (4)
C13—C12—H12120.3C7—O1—C1121.9 (3)
C12—C13—C14120.7 (4)C9—O2—C8121.2 (3)
C12—C13—H13119.6C19—O3—C18114.7 (3)
C14—C13—H13119.6C19—O3—Cd1123.4 (2)
C9—C14—C13118.7 (4)C18—O3—Cd1117.1 (2)
C9—C14—C16120.0 (3)C20—O4—C21113.4 (3)
C13—C14—C16121.3 (3)C20—O4—Cd1110.5 (2)
N1—C15—C6115.7 (3)C21—O4—Cd1109.0 (2)
N1—C15—H15A108.4N4—O5—Cd195.4 (2)
C6—C15—H15A108.4N4—O6—Cd196.3 (2)
N1—C15—H15B108.4N3—O8—Cd1101.7 (2)
C6—C15—H15B108.4O11—O9—N377 (5)
H15A—C15—H15B107.4O9—O11—N377 (4)
C6—C1—C2—C32.1 (7)C10—C9—O2—C8−20.9 (7)
O1—C1—C2—C3178.4 (4)C14—C9—O2—C8161.5 (4)
C1—C2—C3—C40.4 (7)C7—C8—O2—C9173.2 (6)
C2—C3—C4—C5−1.4 (7)C20—C19—O3—C18−177.5 (3)
C3—C4—C5—C60.0 (6)C20—C19—O3—Cd1−22.8 (4)
O1—C1—C6—C5−180.0 (4)C17—C18—O3—C19−178.7 (4)
C2—C1—C6—C5−3.4 (6)C17—C18—O3—Cd124.9 (4)
O1—C1—C6—C15−3.1 (6)N2—Cd1—O3—C19−64.3 (3)
C2—C1—C6—C15173.5 (4)N1—Cd1—O3—C19−151.5 (3)
C4—C5—C6—C12.3 (6)O6—Cd1—O3—C1973.2 (3)
C4—C5—C6—C15−174.6 (4)O5—Cd1—O3—C19125.0 (3)
O1—C7—C8—O218.3 (10)O8—Cd1—O3—C1946.5 (4)
O2—C9—C10—C11−176.8 (4)O4—Cd1—O3—C19−1.3 (3)
C14—C9—C10—C110.7 (7)N2—Cd1—O3—C1889.8 (3)
C9—C10—C11—C12−1.5 (7)N1—Cd1—O3—C182.7 (3)
C10—C11—C12—C131.5 (7)O6—Cd1—O3—C18−132.7 (3)
C11—C12—C13—C14−0.7 (6)O5—Cd1—O3—C18−80.9 (3)
O2—C9—C14—C13177.8 (4)O8—Cd1—O3—C18−159.3 (3)
C10—C9—C14—C130.1 (6)O4—Cd1—O3—C18152.8 (3)
O2—C9—C14—C16−3.8 (5)C19—C20—O4—C2171.5 (4)
C10—C9—C14—C16178.5 (4)C19—C20—O4—Cd1−51.3 (4)
C12—C13—C14—C9−0.1 (6)C22—C21—O4—C20−166.5 (3)
C12—C13—C14—C16−178.5 (4)C22—C21—O4—Cd1−43.0 (3)
C1—C6—C15—N168.8 (5)N2—Cd1—O4—C20140.1 (2)
C5—C6—C15—N1−114.5 (4)N1—Cd1—O4—C2062.6 (3)
C9—C14—C16—N2−80.7 (4)O6—Cd1—O4—C20−61.4 (2)
C13—C14—C16—N297.7 (4)O5—Cd1—O4—C20−45.4 (3)
N1—C17—C18—O3−54.4 (5)O3—Cd1—O4—C2027.1 (2)
O3—C19—C20—O448.3 (5)O8—Cd1—O4—C20−134.5 (2)
O4—C21—C22—N261.4 (4)N2—Cd1—O4—C2114.8 (2)
C18—C17—N1—C15−177.6 (3)N1—Cd1—O4—C21−62.7 (2)
C18—C17—N1—Cd157.3 (3)O6—Cd1—O4—C21173.3 (2)
C6—C15—N1—C1763.5 (4)O5—Cd1—O4—C21−170.7 (2)
C6—C15—N1—Cd1−174.3 (3)O3—Cd1—O4—C21−98.2 (2)
N2—Cd1—N1—C17−132.3 (2)O8—Cd1—O4—C21100.2 (2)
O6—Cd1—N1—C1730.8 (3)O7—N4—O5—Cd1179.6 (4)
O5—Cd1—N1—C1761.4 (2)O6—N4—O5—Cd1−2.4 (4)
O3—Cd1—N1—C17−30.3 (2)N2—Cd1—O5—N4140.9 (4)
O8—Cd1—N1—C17139.2 (2)N1—Cd1—O5—N4−147.8 (3)
O4—Cd1—N1—C17−64.6 (3)O6—Cd1—O5—N41.4 (2)
N2—Cd1—N1—C15102.8 (3)O3—Cd1—O5—N4−78.2 (3)
O6—Cd1—N1—C15−94.1 (3)O8—Cd1—O5—N477.1 (3)
O5—Cd1—N1—C15−63.5 (3)O4—Cd1—O5—N4−18.1 (3)
O3—Cd1—N1—C15−155.2 (3)O7—N4—O6—Cd1−179.6 (4)
O8—Cd1—N1—C1514.3 (3)O5—N4—O6—Cd12.4 (4)
O4—Cd1—N1—C15170.5 (2)N2—Cd1—O6—N4−167.3 (2)
C21—C22—N2—C16−176.0 (3)N1—Cd1—O6—N438.4 (3)
C21—C22—N2—Cd1−46.6 (3)O5—Cd1—O6—N4−1.4 (2)
C14—C16—N2—C22−62.8 (4)O3—Cd1—O6—N494.5 (2)
C14—C16—N2—Cd1169.9 (2)O8—Cd1—O6—N4−96.8 (2)
N1—Cd1—N2—C22144.3 (2)O4—Cd1—O6—N4161.4 (2)
O6—Cd1—N2—C22−15.5 (3)O10—N3—O8—Cd112.1 (4)
O5—Cd1—N2—C22−145.3 (4)O9—N3—O8—Cd1−153.4 (9)
O3—Cd1—N2—C2274.8 (2)O11—N3—O8—Cd1178.3 (10)
O8—Cd1—N2—C22−81.9 (2)N2—Cd1—O8—N3−99.4 (3)
O4—Cd1—N2—C2216.0 (2)N1—Cd1—O8—N3−9.4 (3)
N1—Cd1—N2—C16−88.7 (2)O6—Cd1—O8—N3119.7 (3)
O6—Cd1—N2—C16111.5 (2)O5—Cd1—O8—N367.6 (3)
O5—Cd1—N2—C16−18.3 (5)O3—Cd1—O8—N3146.9 (3)
O3—Cd1—N2—C16−158.2 (2)O4—Cd1—O8—N3−170.4 (3)
O8—Cd1—N2—C1645.2 (2)O10—N3—O9—O11118 (5)
O4—Cd1—N2—C16143.0 (2)O8—N3—O9—O11−76 (6)
C8—C7—O1—C1−178.4 (5)O10—N3—O11—O9−76 (6)
C6—C1—O1—C7−170.9 (6)O8—N3—O11—O9118 (5)
C2—C1—O1—C712.6 (8)
Table 1
Selected geometric parameters (Å, °) top
Cd1—N22.348 (3)Cd1—O32.430 (3)
Cd1—N12.369 (3)Cd1—O82.433 (3)
Cd1—O62.399 (3)Cd1—O42.523 (2)
Cd1—O52.415 (3)Cd1—O102.673 (2)
N2—Cd1—N191.47 (10)N1—Cd1—O8133.87 (10)
N2—Cd1—O6138.07 (10)O6—Cd1—O876.09 (12)
N1—Cd1—O6127.43 (11)O5—Cd1—O885.66 (11)
N2—Cd1—O5165.52 (12)O3—Cd1—O8154.93 (10)
N1—Cd1—O583.75 (11)N2—Cd1—O471.36 (9)
O6—Cd1—O552.16 (11)N1—Cd1—O4126.54 (10)
N2—Cd1—O3101.75 (10)O6—Cd1—O472.42 (9)
N1—Cd1—O369.64 (10)O5—Cd1—O4122.27 (10)
O6—Cd1—O381.48 (10)O3—Cd1—O465.46 (8)
O5—Cd1—O389.42 (12)O8—Cd1—O496.74 (9)
N2—Cd1—O887.88 (11)
Acknowledgements top

We thank the National Natural Science Foundation of China (No. 20471014), the Program for New Century Excellent Talents in Chinese Universities (NCET-05–0320), the Fok Ying Tung Education Foundation, and the Analysis and Testing Foundation of Northeast Normal University for support.

references
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