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Acta Cryst. (2007). E63, m2317    [ doi:10.1107/S1600536807036628 ]

catena-Poly[[(benzoato-[kappa]2O,O')chloridocadmium(II)]-[mu]-2,2'-diphenyl-1,1'-(butane-1,4-diyl)diimidazole-[kappa]2N3:N3']

Y.-Y. Liu, J.-F. Ma and L.-P. Zhang

Abstract top

The title CdII coordination polymer, [Cd(C7H5O2)Cl(C22H22N4)]n, was obtained by reaction of CdCl2·2.5H2O, benzoic acid (HL) and 2,2'-diphenyl-1,1'-(butane-1,4-diyl)diimidazole (bbip). Each CdII cation is five-coordinated by a ClO2N2 donor set in a distorted trigonal-bipyramidal geometry. In the bbip ligand, three C atoms and one N atom are disordered equally over two positions; another two C atoms are disordered over two positions, the site-occupancy ratio being 0.6:0.4. The bbip ligand acts as a bridging bidentate ligand, linking CdII centres into a one-dimensional zigzag chain; adjacent chains are further connected through face-to-face [pi]-[pi] interactions between the imidazole rings [with an average face-to-face distance of 3.560 (8) Å], resulting in the formation of a two-dimensional supramolecular layer.

Comment top

As part of an investigation of the transition metal application there is a need to prepare further examples of these compounds. In this paper, the structure of the title compound, (I), is described.

As shown in Fig. 1, the CdII ions is coordinated by one Cl− anion, two oxygen atoms from the chelating carboxylate of L anion and two nitrogen atoms of two bbip ligands. Each CdII cation has a distorted trigonal bipyramidal coordination sphere. As illustrated in Fig. 2, each bbip molecule in (I) coordinates to two CdII cations through its two aromatic N atoms, thus acing as a bridging bidentate ligand. The CdII cations are bridged by bbip ligand to form a zigzag chain along the c axis, with the separation between the CdII atoms bridged by bbip ligand of 14.509 (1) Å. A fascinating structural feature of (I) is that there exist face-to-face π-π interactions between the imidazolyl ring and phenyl ring of adjacent bbip ligands (with the centroid-to-centriod and average face-to-face distances of 3.644 (7)–3.752 (2) Å and 3.647 (8)–3.760 (2) Å, respectively. Fig. 2). Along the b axis, parallel 1-D chains further stack to form 2-D supermolecular structure (Fig. 3) via face-to-face π-π interactions between imidazolyl rings, with the centroid-to-centriod distance of 3.607 (2) Å and average face-to-face distance of 3.560 (8) Å.

Related literature top

The bond distances and angles are normal (Ma et al., 2000).

Experimental top

The ligand bbip was synthesized according to the literature (Ma et al., 2000) but an imidazole was replaced by 2-phenylimidazole. A mixture of CdCl2·2.5H2O (0.091 g, 0.4 mmol), HL (0.049 g, 0.4 mmol), bbip (0.137 g, 0.40 mmol), and water (8 ml) was sealed in a Teflon reactor (15 ml) and heated at 160 °C for 3 days. After the mixture had been cooled to room temperature at 10 °C.h−1, colorless crystals of (I) were obtained. Yield: 73%.

Refinement top

Disorderd bbip ligand was refined using isotropic C and N atoms split over two sites, with a total occupancy of 1. Some of the carbon H atoms attached to disordered part could not be positioned reliably and were not included in the refinement. Other aromatic H-atoms were refined using a riding model with d(C—H) = 0.93 Å, Uiso=1.2Ueq (C).

Computing details top

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

Figures top
[Figure 1] Fig. 1. A view of the local coordination of the CdII cation in (I). Displacement ellipsoids are drawn at the 30% probability level and H atoms have been omitted for clarity.
[Figure 2] Fig. 2. View of the face-to-face π-π interactions in bbip ligands. L− and Cl− anions have been omitted for clarity.
[Figure 3] Fig. 3. The packing diagram of part of the crystal structure of (I), showing the face-to-face π-π interactions. L− and Cl− anions have been omitted for clarity.
catena-Poly[[(benzoato-κ2O,O')chloridocadmium(II)]-µ-2,2'-diphenyl-1,1'-\ (butane-1,4-diyl)diimidazole-κ2N3:N3'] top
Crystal data top
[Cd(C7H5O2)Cl(C22H22N4)]F000 = 1240
Mr = 611.40Dx = 1.450 Mg m−3
Monoclinic, P21/cMo Kα radiation
λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 4217 reflections
a = 20.0290 (16) Åθ = 2.1–28.3º
b = 9.0893 (7) ŵ = 0.91 mm−1
c = 15.5393 (13) ÅT = 293 (2) K
β = 98.197 (2)ºBlock, colorless
V = 2800.0 (4) Å30.32 × 0.25 × 0.22 mm
Z = 4
Data collection top
Bruker APEX CCD area-detector
diffractometer		6748 independent reflections
Radiation source: fine-focus sealed tube4217 reflections with I > 2σ(I)
Monochromator: graphiteRint = 0.035
T = 293(2) Kθmax = 28.3º
ω scansθmin = 2.1º
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)		h = −22→26
Tmin = 0.74, Tmax = 0.79k = −11→12
16824 measured reflectionsl = −19→20
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)] = 0.052H-atom parameters constrained
wR(F2) = 0.161  w = 1/[σ2(Fo2) + (0.0894P)2]
where P = (Fo2 + 2Fc2)/3
S = 1.00(Δ/σ)max = 0.001
6748 reflectionsΔρmax = 0.85 e Å−3
338 parametersΔρmin = −0.54 e Å−3
Primary atom site location: structure-invariant direct methodsExtinction correction: none
Crystal data top
[Cd(C7H5O2)Cl(C22H22N4)]V = 2800.0 (4) Å3
Mr = 611.40Z = 4
Monoclinic, P21/cMo Kα
a = 20.0290 (16) ŵ = 0.91 mm−1
b = 9.0893 (7) ÅT = 293 (2) K
c = 15.5393 (13) Å0.32 × 0.25 × 0.22 mm
β = 98.197 (2)º
Data collection top
Bruker APEX CCD area-detector
diffractometer		6748 independent reflections
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)		4217 reflections with I > 2σ(I)
Tmin = 0.74, Tmax = 0.79Rint = 0.035
16824 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.052338 parameters
wR(F2) = 0.161H-atom parameters constrained
S = 1.00Δρmax = 0.85 e Å−3
6748 reflectionsΔρmin = −0.54 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*/UeqOcc. (<1)
Cd10.222863 (16)1.42407 (3)0.871874 (19)0.05373 (15)
C10.2233 (3)1.1196 (6)0.7681 (3)0.0660 (13)
C20.1379 (6)1.1311 (14)0.6578 (7)0.061 (3)0.50
C2'0.1237 (6)1.0990 (12)0.6842 (8)0.053 (3)*0.50
C30.1337 (2)1.2422 (6)0.7139 (3)0.0653 (12)
C40.1836 (2)0.3373 (5)0.4985 (3)0.0509 (10)
C50.2792 (2)0.2428 (5)0.5504 (3)0.0597 (11)
H50.31650.18060.55830.072*
C60.2715 (2)0.3616 (6)0.5988 (3)0.0619 (12)
H60.30150.39520.64590.074*
C70.2856 (3)1.0733 (6)0.8239 (4)0.0708 (14)
C80.3412 (3)1.1618 (7)0.8307 (4)0.0845 (16)
H80.34121.24620.79690.101*
C90.3981 (3)1.1239 (9)0.8890 (5)0.104 (2)
H90.43611.18390.89470.125*
C100.3982 (3)1.0008 (9)0.9369 (5)0.101 (2)
H100.43680.97600.97480.121*
C110.3434 (3)0.9120 (7)0.9313 (5)0.094 (2)
H110.34430.82780.96550.113*
C120.2868 (3)0.9470 (6)0.8750 (4)0.0795 (16)
H120.24900.88660.87080.095*
C130.1176 (2)0.3626 (5)0.4443 (3)0.0573 (11)
C140.0745 (2)0.2432 (6)0.4254 (3)0.0688 (13)
H140.08580.15150.44980.083*
C150.0152 (3)0.2619 (8)0.3703 (4)0.0871 (17)
H15−0.01300.18150.35620.104*
C16−0.0034 (3)0.3980 (9)0.3355 (5)0.098 (2)
H16−0.04430.41020.29950.117*
C170.0394 (3)0.5151 (8)0.3547 (4)0.0872 (17)
H170.02740.60700.33110.105*
C180.0988 (2)0.4988 (6)0.4072 (3)0.0654 (12)
H180.12740.57920.41880.078*
C19'0.2226 (6)0.9355 (13)0.6431 (8)0.064 (3)*0.40
C190.1970 (4)0.8646 (10)0.6951 (5)0.0617 (19)*0.60
C200.1926 (4)0.8506 (11)0.5946 (6)0.058 (2)*0.50
C20'0.1816 (6)0.8000 (14)0.6443 (8)0.081 (3)*0.50
C210.2224 (4)0.7045 (11)0.5700 (6)0.064 (2)*0.60
C21'0.2161 (6)0.6732 (14)0.6005 (8)0.053 (3)*0.40
C220.1782 (6)0.5320 (15)0.6152 (8)0.067 (3)*0.50
C22'0.1852 (5)0.5691 (12)0.5948 (7)0.050 (2)*0.50
C230.3401 (3)1.5518 (5)0.8487 (4)0.0688 (13)
C240.4080 (3)1.6253 (7)0.8387 (4)0.0763 (14)
C250.4608 (3)1.6183 (9)0.9056 (5)0.105 (2)
H250.45651.56420.95530.126*
C260.5195 (4)1.6906 (12)0.8992 (6)0.137 (3)
H260.55491.68590.94480.164*
C270.5269 (4)1.7698 (14)0.8265 (8)0.155 (4)
H270.56701.81920.82260.186*
C280.4739 (4)1.7760 (14)0.7586 (6)0.162 (4)
H280.47841.82880.70850.195*
C290.4158 (4)1.7046 (9)0.7657 (4)0.114 (2)
H290.38031.70940.72020.137*
N10.19153 (17)1.2451 (4)0.7736 (2)0.0558 (9)
N20.1798 (4)1.0148 (7)0.7192 (4)0.0441 (16)0.50
N2'0.1943 (5)1.0566 (10)0.6890 (6)0.059 (2)*0.50
N30.21146 (18)0.4242 (4)0.5661 (2)0.0585 (10)
N40.22479 (16)0.2261 (4)0.4880 (2)0.0517 (8)
O10.29828 (19)1.5411 (5)0.7832 (3)0.0891 (12)
O20.33107 (18)1.5115 (4)0.9222 (3)0.0798 (10)
Cl0.13732 (7)1.61591 (14)0.86482 (10)0.0804 (4)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cd10.0710 (3)0.0409 (2)0.0458 (2)−0.00401 (14)−0.00363 (15)−0.00112 (12)
C10.072 (3)0.062 (3)0.059 (3)0.005 (2)−0.005 (2)−0.025 (2)
C20.063 (7)0.073 (7)0.050 (6)−0.005 (5)0.016 (5)−0.013 (5)
C30.066 (3)0.064 (3)0.062 (3)0.001 (2)−0.004 (2)−0.009 (2)
C40.055 (2)0.050 (2)0.046 (2)0.0013 (19)−0.0006 (18)−0.0086 (18)
C50.058 (3)0.067 (3)0.050 (2)0.012 (2)−0.0049 (19)−0.003 (2)
C60.057 (3)0.071 (3)0.054 (2)0.001 (2)−0.006 (2)−0.008 (2)
C70.060 (3)0.067 (3)0.083 (4)0.007 (2)0.000 (3)−0.029 (3)
C80.068 (3)0.081 (4)0.101 (4)0.004 (3)−0.002 (3)−0.008 (3)
C90.065 (4)0.105 (5)0.134 (6)−0.004 (3)−0.020 (4)−0.017 (5)
C100.075 (4)0.110 (6)0.108 (5)0.021 (4)−0.020 (3)−0.015 (4)
C110.087 (4)0.083 (4)0.108 (5)0.026 (3)−0.005 (4)−0.011 (3)
C120.070 (3)0.070 (4)0.094 (4)0.013 (3)−0.001 (3)−0.020 (3)
C130.049 (2)0.057 (3)0.063 (3)0.001 (2)0.002 (2)−0.014 (2)
C140.054 (3)0.070 (3)0.081 (3)−0.005 (2)0.004 (2)−0.008 (3)
C150.058 (3)0.100 (5)0.099 (4)−0.012 (3)−0.004 (3)−0.022 (4)
C160.061 (3)0.120 (6)0.103 (5)0.014 (4)−0.018 (3)−0.020 (4)
C170.066 (3)0.087 (4)0.101 (4)0.018 (3)−0.013 (3)−0.005 (4)
C180.056 (3)0.059 (3)0.078 (3)0.006 (2)−0.003 (2)−0.006 (3)
C230.076 (3)0.054 (3)0.072 (3)−0.001 (2)−0.005 (3)−0.008 (2)
C240.059 (3)0.086 (4)0.085 (4)−0.006 (3)0.010 (3)−0.015 (3)
C250.064 (4)0.128 (6)0.117 (6)−0.001 (4)−0.007 (3)−0.013 (4)
C260.065 (4)0.196 (10)0.146 (8)−0.028 (5)0.008 (4)−0.032 (7)
C270.089 (6)0.205 (11)0.180 (10)−0.037 (6)0.050 (6)−0.038 (9)
C280.116 (7)0.241 (13)0.142 (8)−0.049 (8)0.057 (6)0.001 (8)
C290.102 (5)0.155 (7)0.087 (5)−0.038 (5)0.024 (4)0.003 (4)
N10.065 (2)0.046 (2)0.054 (2)0.0006 (17)0.0000 (17)−0.0097 (16)
N20.063 (4)0.033 (3)0.033 (3)−0.009 (3)−0.002 (3)−0.003 (3)
N30.055 (2)0.063 (2)0.055 (2)0.0071 (17)−0.0039 (17)−0.0193 (17)
N40.0530 (19)0.051 (2)0.0474 (19)0.0031 (16)−0.0040 (15)−0.0065 (15)
O10.083 (3)0.107 (3)0.073 (2)−0.023 (2)−0.004 (2)−0.018 (2)
O20.079 (2)0.078 (3)0.078 (3)−0.019 (2)−0.0043 (19)0.012 (2)
Cl0.0931 (9)0.0445 (6)0.0991 (10)0.0147 (6)−0.0011 (8)0.0033 (6)
Geometric parameters (Å, °) top
Cd1—N12.258 (3)C15—H150.9300
Cd1—N4i2.259 (3)C16—C171.372 (9)
Cd1—O22.336 (3)C16—H160.9300
Cd1—O12.430 (4)C17—C181.351 (7)
Cd1—Cl2.4361 (13)C17—H170.9300
C1—N11.315 (6)C18—H180.9300
C1—N2'1.403 (10)C19'—C201.182 (14)
C1—N21.434 (8)C19'—C191.205 (14)
C1—C71.475 (7)C19'—N2'1.470 (15)
C2—C2'0.608 (12)C19'—C20'1.482 (18)
C2—C31.344 (11)C19'—N21.716 (15)
C2—N2'1.347 (14)C19—C20'0.997 (12)
C2—N21.583 (14)C19—N21.469 (11)
C2'—N21.404 (13)C19—C201.557 (12)
C2'—C31.386 (12)C19—N2'1.748 (13)
C2'—N2'1.459 (15)C20—C20'0.951 (13)
C3—N11.378 (5)C20—C211.526 (13)
C4—N41.330 (5)C20—C21'1.679 (16)
C4—N31.368 (5)C20'—C21'1.551 (17)
C4—C131.482 (6)C21—C21'0.581 (13)
C5—C61.337 (7)C21—C22'1.517 (15)
C5—N41.361 (5)C21'—C22'1.128 (15)
C5—H50.9300C21'—C221.526 (18)
C6—N31.360 (5)C22—N31.460 (13)
C6—H60.9300C22'—N31.509 (11)
C7—C81.366 (8)C23—O11.227 (6)
C7—C121.394 (8)C23—O21.236 (6)
C8—C91.394 (8)C24—C291.371 (9)
C8—H80.9300C24—C251.376 (8)
C9—C101.343 (10)C25—C261.362 (10)
C9—H90.9300C25—H250.9300
C10—C111.356 (10)C26—C271.366 (13)
C10—H100.9300C26—H260.9300
C11—C121.368 (8)C27—C281.386 (11)
C11—H110.9300C27—H270.9300
C12—H120.9300C28—C291.351 (10)
C13—C141.391 (6)C28—H280.9300
C13—C181.394 (7)C29—H290.9300
C14—C151.372 (7)N2—N2'0.699 (9)
C14—H140.9300N4—Cd1ii2.259 (3)
C15—C161.380 (9)
N1—Cd1—N4i94.39 (13)C19'—C20—C21'118.6 (10)
N1—Cd1—O2128.78 (14)C19—C20—C21'92.8 (7)
N4i—Cd1—O291.65 (12)C20—C20'—C19106.1 (15)
N1—Cd1—O193.84 (13)C20—C20'—C19'52.8 (10)
N4i—Cd1—O1140.93 (13)C19—C20'—C19'53.9 (9)
O2—Cd1—O154.47 (13)C20—C20'—C21'80.4 (11)
N1—Cd1—Cl111.06 (10)C19—C20'—C21'132.7 (12)
N4i—Cd1—Cl113.59 (10)C19'—C20'—C21'109.2 (10)
O2—Cd1—Cl112.63 (11)C20—C20'—C2161.1 (10)
O1—Cd1—Cl98.70 (11)C19—C20'—C21134.3 (11)
N1—C1—N2'105.5 (5)C19'—C20'—C2195.3 (9)
N1—C1—N2110.3 (5)C21'—C21—C2094.9 (19)
N1—C1—C7125.9 (4)C22'—C21—C20114.8 (8)
N2'—C1—C7127.4 (5)C21'—C21—C20'61.9 (18)
N2—C1—C7121.4 (5)C22'—C21—C20'86.7 (7)
C2'—C2—C381.0 (17)C20—C21—C22113.0 (7)
C2'—C2—N2'88 (2)C20'—C21—C2283.4 (7)
C3—C2—N2'105.7 (8)C21—C21'—C22'122 (2)
C2'—C2—N262.0 (18)C21—C21'—C22135 (2)
C3—C2—N2100.8 (7)C21—C21'—C20'99 (2)
C2—C2'—N296 (2)C22'—C21'—C20'112.5 (11)
C2—C2'—C373.3 (17)C22—C21'—C20'107.3 (10)
N2—C2'—C3108.3 (8)C21—C21'—C2064.9 (17)
C2—C2'—N2'67.4 (18)C22'—C21'—C20130.8 (11)
C3—C2'—N2'97.9 (8)C22—C21'—C20132.4 (10)
C2—C3—N1109.0 (6)N3—C22—C21'102.3 (9)
N1—C3—C2'108.1 (6)N3—C22—C2195.0 (7)
N4—C4—N3109.9 (3)C21'—C22'—N3123.0 (10)
N4—C4—C13124.6 (4)N3—C22'—C21115.4 (8)
N3—C4—C13125.5 (4)O1—C23—O2124.8 (5)
C6—C5—N4110.2 (4)O1—C23—C24117.2 (5)
C6—C5—H5124.9O2—C23—C24118.0 (5)
N4—C5—H5124.9O1—C23—Cd164.6 (3)
C5—C6—N3107.2 (4)O2—C23—Cd160.2 (3)
C5—C6—H6126.4C24—C23—Cd1178.2 (4)
N3—C6—H6126.4C29—C24—C25118.9 (6)
C8—C7—C12119.6 (5)C29—C24—C23121.2 (5)
C8—C7—C1119.3 (5)C25—C24—C23119.8 (6)
C12—C7—C1120.9 (5)C26—C25—C24120.1 (8)
C7—C8—C9119.1 (6)C26—C25—H25120.0
C7—C8—H8120.4C24—C25—H25120.0
C9—C8—H8120.4C25—C26—C27120.8 (8)
C10—C9—C8120.2 (6)C25—C26—H26119.6
C10—C9—H9119.9C27—C26—H26119.6
C8—C9—H9119.9C26—C27—C28119.3 (8)
C9—C10—C11121.5 (6)C26—C27—H27120.3
C9—C10—H10119.2C28—C27—H27120.3
C11—C10—H10119.2C29—C28—C27119.5 (9)
C10—C11—C12119.5 (7)C29—C28—H28120.2
C10—C11—H11120.2C27—C28—H28120.2
C12—C11—H11120.2C28—C29—C24121.4 (7)
C11—C12—C7120.1 (6)C28—C29—H29119.3
C11—C12—H12120.0C24—C29—H29119.3
C7—C12—H12120.0C1—N1—C3107.9 (4)
C14—C13—C18118.9 (4)C1—N1—Cd1125.3 (3)
C14—C13—C4118.4 (4)C3—N1—Cd1126.5 (3)
C18—C13—C4122.6 (4)N2'—N2—C2'80.3 (12)
C15—C14—C13119.3 (5)N2'—N2—C173.3 (10)
C15—C14—H14120.3C2'—N2—C1103.6 (7)
C13—C14—H14120.3N2'—N2—C19101.5 (12)
C14—C15—C16121.1 (5)C2'—N2—C19127.7 (7)
C14—C15—H15119.4C1—N2—C19127.2 (6)
C16—C15—H15119.4N2'—N2—C257.8 (11)
C17—C16—C15119.0 (5)C1—N2—C296.0 (6)
C17—C16—H16120.5C19—N2—C2126.2 (6)
C15—C16—H16120.5N2'—N2—C19'57.9 (11)
C18—C17—C16121.0 (6)C2'—N2—C19'114.4 (8)
C18—C17—H17119.5C1—N2—C19'108.5 (7)
C16—C17—H17119.5C2—N2—C19'98.0 (7)
C17—C18—C13120.6 (5)N2—N2'—C296.2 (13)
C17—C18—H18119.7N2—N2'—C178.2 (11)
C13—C18—H18119.7C2—N2'—C1109.3 (8)
C20—C19'—C1981.5 (10)N2—N2'—C19'98.3 (13)
C20—C19'—N2'127.0 (11)C2—N2'—C19'124.3 (10)
C19—C19'—N2'81.0 (9)C1—N2'—C19'126.2 (9)
N2'—C19'—C20'111.3 (10)N2—N2'—C2'71.6 (11)
C20—C19'—N2117.0 (10)C1—N2'—C2'102.4 (7)
C19—C19'—N257.2 (7)C19'—N2'—C2'127.7 (9)
C20'—C19'—N290.4 (8)N2—N2'—C1955.4 (10)
C20'—C19—C19'84.1 (12)C2—N2'—C19122.6 (8)
C20'—C19—N2133.7 (11)C1—N2'—C19110.7 (7)
C19'—C19—N279.2 (8)C2'—N2'—C19106.8 (7)
C19'—C19—C2048.6 (7)C6—N3—C4106.7 (4)
N2—C19—C20110.5 (7)C6—N3—C22122.1 (6)
C20'—C19—N2'122.8 (11)C4—N3—C22128.4 (6)
C19'—C19—N2'56.1 (7)C6—N3—C22'125.6 (5)
C20—C19—N2'91.8 (6)C4—N3—C22'127.5 (5)
C20'—C20—C19'87.4 (13)C4—N4—C5106.0 (3)
C20'—C20—C2185.8 (11)C4—N4—Cd1ii128.1 (3)
C19'—C20—C21123.1 (10)C5—N4—Cd1ii123.9 (3)
C19'—C20—C1949.9 (8)C23—O1—Cd188.3 (4)
C21—C20—C19110.7 (7)C23—O2—Cd192.4 (3)
C20'—C20—C21'65.6 (11)
C3—C2—C2'—N2−107.4 (8)C26—C27—C28—C290.6 (17)
N2'—C2—C2'—N2−1.2 (10)C27—C28—C29—C24−0.4 (16)
N2'—C2—C2'—C3106.3 (7)C25—C24—C29—C28−0.2 (12)
N2—C2—C2'—C3107.4 (8)C23—C24—C29—C28176.3 (8)
C3—C2—C2'—N2'−106.3 (7)N2'—C1—N1—C315.6 (7)
N2—C2—C2'—N2'1.2 (10)N2—C1—N1—C3−13.9 (6)
C2'—C2—C3—N192.2 (18)C7—C1—N1—C3−176.3 (5)
N2'—C2—C3—N16.9 (11)N2'—C1—N1—Cd1−169.0 (5)
N2—C2—C3—N133.2 (9)N2—C1—N1—Cd1161.5 (4)
N2'—C2—C3—C2'−85 (2)C7—C1—N1—Cd1−0.9 (8)
N2—C2—C3—C2'−59.1 (17)C2—C3—N1—C1−14.6 (8)
N2—C2'—C3—C290 (2)C2'—C3—N1—C112.5 (7)
N2'—C2'—C3—C263.5 (17)C2—C3—N1—Cd1170.1 (7)
C2—C2'—C3—N1−96.6 (18)C2'—C3—N1—Cd1−162.9 (6)
N2—C2'—C3—N1−6.1 (10)N4i—Cd1—N1—C1−54.7 (4)
N2'—C2'—C3—N1−33.1 (9)O2—Cd1—N1—C140.9 (5)
N4—C5—C6—N3−1.0 (6)O1—Cd1—N1—C187.0 (4)
N1—C1—C7—C8−55.0 (8)Cl—Cd1—N1—C1−172.1 (4)
N2'—C1—C7—C8110.4 (8)C23—Cd1—N1—C166.8 (4)
N2—C1—C7—C8144.4 (6)N4i—Cd1—N1—C3119.8 (4)
N1—C1—C7—C12119.7 (6)O2—Cd1—N1—C3−144.5 (4)
N2'—C1—C7—C12−74.8 (9)O1—Cd1—N1—C3−98.4 (4)
N2—C1—C7—C12−40.9 (8)Cl—Cd1—N1—C32.4 (4)
C12—C7—C8—C9−0.1 (9)C23—Cd1—N1—C3−118.7 (4)
C1—C7—C8—C9174.7 (5)C2—C2'—N2—N2'2(2)
C7—C8—C9—C100.8 (10)C3—C2'—N2—N2'−72.0 (13)
C8—C9—C10—C11−1.1 (12)C2—C2'—N2—C172.3 (19)
C9—C10—C11—C120.7 (11)C3—C2'—N2—C1−1.9 (10)
C10—C11—C12—C70.0 (9)N2'—C2'—N2—C170.1 (10)
C8—C7—C12—C11−0.2 (9)C2—C2'—N2—C19−95 (2)
C1—C7—C12—C11−174.9 (5)C3—C2'—N2—C19−169.0 (8)
N4—C4—C13—C1445.0 (7)N2'—C2'—N2—C19−97.0 (14)
N3—C4—C13—C14−135.3 (5)C3—C2'—N2—C2−74.2 (18)
N4—C4—C13—C18−131.0 (5)N2'—C2'—N2—C2−2(2)
N3—C4—C13—C1848.8 (7)C2—C2'—N2—C19'−46 (2)
C18—C13—C14—C150.6 (7)C3—C2'—N2—C19'−119.9 (9)
C4—C13—C14—C15−175.5 (4)N2'—C2'—N2—C19'−47.9 (11)
C13—C14—C15—C16−1.9 (9)N1—C1—N2—N2'85.1 (12)
C14—C15—C16—C171.8 (10)C7—C1—N2—N2'−111.6 (12)
C15—C16—C17—C18−0.4 (10)N1—C1—N2—C2'9.8 (8)
C16—C17—C18—C13−0.9 (9)N2'—C1—N2—C2'−75.3 (11)
C14—C13—C18—C170.8 (7)C7—C1—N2—C2'173.2 (7)
C4—C13—C18—C17176.7 (5)N1—C1—N2—C19177.0 (7)
C20—C19'—C19—C20'6.7 (11)N2'—C1—N2—C1991.9 (14)
N2'—C19'—C19—C20'136.5 (10)C7—C1—N2—C19−19.7 (11)
N2—C19'—C19—C20'136.7 (10)N1—C1—N2—C231.3 (7)
C20—C19'—C19—N2−130.0 (8)N2'—C1—N2—C2−53.8 (10)
N2'—C19'—C19—N2−0.2 (6)C7—C1—N2—C2−165.3 (6)
C20'—C19'—C19—N2−136.7 (10)N1—C1—N2—C19'131.8 (6)
N2'—C19'—C19—C20129.8 (10)N2'—C1—N2—C19'46.7 (11)
C20'—C19'—C19—C20−6.7 (11)C7—C1—N2—C19'−64.8 (8)
N2—C19'—C19—C20130.0 (8)C20'—C19—N2—N2'−70.5 (19)
C20—C19'—C19—N2'−129.8 (10)C19'—C19—N2—N2'0.3 (14)
C20'—C19'—C19—N2'−136.5 (10)C20—C19—N2—N2'−37.5 (13)
N2—C19'—C19—N2'0.2 (6)C20'—C19—N2—C2'16 (2)
C19—C19'—C20—C20'−7.0 (11)C19'—C19—N2—C2'86.8 (12)
N2'—C19'—C20—C20'−78.8 (16)C20—C19—N2—C2'49.0 (12)
N2—C19'—C20—C20'−53.3 (13)N2'—C19—N2—C2'86.5 (14)
C19—C19'—C20—C21−90.2 (12)C20'—C19—N2—C1−148.2 (14)
N2'—C19'—C20—C21−162.0 (11)C19'—C19—N2—C1−77.3 (10)
C20'—C19'—C20—C21−83.2 (13)C20—C19—N2—C1−115.2 (8)
N2—C19'—C20—C21−136.5 (10)N2'—C19—N2—C1−77.7 (13)
N2'—C19'—C20—C19−71.8 (13)C20'—C19—N2—C2−12.2 (19)
C20'—C19'—C20—C197.0 (11)C19'—C19—N2—C258.7 (11)
N2—C19'—C20—C19−46.3 (8)C20—C19—N2—C220.8 (12)
C19—C19'—C20—C21'−67.3 (12)N2'—C19—N2—C258.3 (12)
N2'—C19'—C20—C21'−139.1 (12)C20'—C19—N2—C19'−70.8 (16)
C20'—C19'—C20—C21'−60.3 (11)C20—C19—N2—C19'−37.9 (8)
N2—C19'—C20—C21'−113.6 (11)N2'—C19—N2—C19'−0.3 (14)
C19'—C19—C20—C20'168.6 (18)C2'—C2—N2—N2'−177 (2)
N2—C19—C20—C20'−137.9 (15)C3—C2—N2—N2'−103.7 (14)
N2'—C19—C20—C20'−151.7 (15)C3—C2—N2—C2'73.6 (18)
C20'—C19—C20—C19'−168.6 (18)N2'—C2—N2—C2'177 (2)
N2—C19—C20—C19'53.5 (10)C2'—C2—N2—C1−111.4 (19)
N2'—C19—C20—C19'39.6 (9)C3—C2—N2—C1−37.8 (9)
C20'—C19—C20—C21−52.3 (14)N2'—C2—N2—C166.0 (11)
C19'—C19—C20—C21116.4 (12)C2'—C2—N2—C19102.4 (19)
N2—C19—C20—C21169.8 (7)C3—C2—N2—C19176.0 (7)
N2'—C19—C20—C21156.0 (7)N2'—C2—N2—C19−80.2 (14)
C20'—C19—C20—C21'−42.8 (14)C2'—C2—N2—C19'138.9 (19)
C19'—C19—C20—C21'125.8 (11)C3—C2—N2—C19'−147.5 (8)
N2—C19—C20—C21'179.3 (7)N2'—C2—N2—C19'−43.8 (12)
N2'—C19—C20—C21'165.5 (7)C20—C19'—N2—N2'−121.4 (17)
C19'—C20—C20'—C198.7 (14)C19—C19'—N2—N2'−179.6 (16)
C21—C20—C20'—C19132.1 (11)C20'—C19'—N2—N2'−152.3 (15)
C21'—C20—C20'—C19131.9 (13)C20—C19'—N2—C2'−61.6 (14)
C21—C20—C20'—C19'123.4 (10)C19—C19'—N2—C2'−119.9 (10)
C19—C20—C20'—C19'−8.7 (14)N2'—C19'—N2—C2'59.7 (13)
C21'—C20—C20'—C19'123.2 (9)C20'—C19'—N2—C2'−92.5 (10)
C19'—C20—C20'—C21'−123.2 (9)C20—C19'—N2—C1−176.8 (10)
C21—C20—C20'—C21'0.3 (8)C19—C19'—N2—C1125.0 (8)
C19—C20—C20'—C21'−131.9 (13)N2'—C19'—N2—C1−55.4 (12)
C19'—C20—C20'—C21−123.4 (10)C20'—C19'—N2—C1152.3 (8)
C19—C20—C20'—C21−132.1 (11)C20—C19'—N2—C1958.2 (10)
C21'—C20—C20'—C21−0.3 (8)N2'—C19'—N2—C19179.6 (16)
C19'—C19—C20'—C20−8.6 (14)C20'—C19'—N2—C1927.3 (7)
N2—C19—C20'—C2060.3 (19)C20—C19'—N2—C2−77.7 (12)
N2'—C19—C20'—C2034.3 (18)C19—C19'—N2—C2−135.9 (9)
N2—C19—C20'—C19'68.9 (14)N2'—C19'—N2—C243.7 (12)
C20—C19—C20'—C19'8.6 (14)C20'—C19'—N2—C2−108.6 (9)
N2'—C19—C20'—C19'42.8 (10)C2'—N2—N2'—C2−1.0 (9)
C19'—C19—C20'—C21'83.2 (18)C1—N2—N2'—C2−108.5 (8)
N2—C19—C20'—C21'152.1 (13)C19—N2—N2'—C2125.8 (8)
C20—C19—C20'—C21'92 (2)C19'—N2—N2'—C2126.1 (11)
N2'—C19—C20'—C21'126.0 (15)C2'—N2—N2'—C1107.5 (6)
C19'—C19—C20'—C2156.6 (17)C19—N2—N2'—C1−125.7 (6)
N2—C19—C20'—C21125.5 (14)C2—N2—N2'—C1108.5 (8)
C20—C19—C20'—C2165.2 (16)C19'—N2—N2'—C1−125.4 (9)
N2'—C19—C20'—C2199.4 (16)C2'—N2—N2'—C19'−127.1 (9)
C19—C19'—C20'—C20169.7 (17)C1—N2—N2'—C19'125.4 (9)
N2'—C19'—C20'—C20122.8 (14)C19—N2—N2'—C19'−0.3 (11)
N2—C19'—C20'—C20134.4 (12)C2—N2—N2'—C19'−126.1 (11)
C20—C19'—C20'—C19−169.7 (17)C1—N2—N2'—C2'−107.5 (6)
N2'—C19'—C20'—C19−46.8 (11)C19—N2—N2'—C2'126.8 (8)
N2—C19'—C20'—C19−35.2 (8)C2—N2—N2'—C2'1.0 (9)
C20—C19'—C20'—C21'60.9 (12)C19'—N2—N2'—C2'127.1 (9)
C19—C19'—C20'—C21'−129.4 (14)C2'—N2—N2'—C19−126.8 (8)
N2'—C19'—C20'—C21'−176.3 (10)C1—N2—N2'—C19125.7 (6)
N2—C19'—C20'—C21'−164.6 (9)C2—N2—N2'—C19−125.8 (8)
C20—C19'—C20'—C2147.2 (10)C19'—N2—N2'—C190.3 (11)
C19—C19'—C20'—C21−143.1 (12)C2'—C2—N2'—N22(2)
N2'—C19'—C20'—C21170.0 (9)C3—C2—N2'—N282.4 (14)
N2—C19'—C20'—C21−178.4 (7)C2'—C2—N2'—C1−77.3 (19)
C20'—C20—C21—C21'−1(2)C3—C2—N2'—C12.8 (12)
C19'—C20—C21—C21'83 (2)N2—C2—N2'—C1−79.6 (12)
C19—C20—C21—C21'28 (2)C2'—C2—N2'—C19'106.8 (19)
C20'—C20—C21—C22'34.6 (12)C3—C2—N2'—C19'−173.1 (10)
C19'—C20—C21—C22'118.6 (12)N2—C2—N2'—C19'104.5 (16)
C19—C20—C21—C22'63.8 (10)C3—C2—N2'—C2'80.1 (18)
C21'—C20—C21—C22'35.3 (15)N2—C2—N2'—C2'−2(2)
C19'—C20—C21—C20'84.1 (14)C2'—C2—N2'—C1955 (2)
C19—C20—C21—C20'29.2 (8)C3—C2—N2'—C19135.0 (9)
C21'—C20—C21—C20'1(2)N2—C2—N2'—C1952.5 (10)
C20'—C20—C21—C2228.2 (12)N1—C1—N2'—N2−104.2 (11)
C19'—C20—C21—C22112.3 (12)C7—C1—N2'—N288.0 (13)
C19—C20—C21—C2257.4 (9)N1—C1—N2'—C2−11.7 (10)
C21'—C20—C21—C2228.9 (16)N2—C1—N2'—C292.4 (13)
C20—C20'—C21—C21'179 (2)C7—C1—N2'—C2−179.5 (8)
C19—C20'—C21—C21'95 (3)N1—C1—N2'—C19'164.1 (9)
C19'—C20'—C21—C21'137 (2)N2—C1—N2'—C19'−91.7 (15)
C20—C20'—C21—C22'−148.9 (11)C7—C1—N2'—C19'−3.7 (14)
C19—C20'—C21—C22'126.5 (18)N1—C1—N2'—C2'−36.3 (9)
C19'—C20'—C21—C22'169.2 (9)N2—C1—N2'—C2'67.9 (11)
C21'—C20'—C21—C22'31.9 (17)C7—C1—N2'—C2'155.9 (7)
C19—C20'—C21—C20−84.5 (19)N1—C1—N2'—C19−149.8 (5)
C19'—C20'—C21—C20−41.9 (9)N2—C1—N2'—C19−45.7 (10)
C21'—C20'—C21—C20−179 (2)C7—C1—N2'—C1942.4 (10)
C20—C20'—C21—C22−154.0 (11)C20—C19'—N2'—N272.4 (18)
C19—C20'—C21—C22121.4 (18)C19—C19'—N2'—N20.3 (13)
C19'—C20'—C21—C22164.1 (9)C20'—C19'—N2'—N230.0 (16)
C21'—C20'—C21—C2226.8 (18)C20—C19'—N2'—C2−31 (2)
C20—C21—C21'—C22'124.0 (17)C19—C19'—N2'—C2−103.0 (13)
C20'—C21—C21'—C22'124 (2)C20'—C19'—N2'—C2−73.4 (15)
C22—C21—C21'—C22'−1.7 (12)N2—C19'—N2'—C2−103.4 (16)
C22'—C21—C21'—C221.7 (12)C20—C19'—N2'—C1153.8 (12)
C20—C21—C21'—C22126 (2)C19—C19'—N2'—C181.8 (11)
C20'—C21—C21'—C22125 (3)C20'—C19'—N2'—C1111.4 (12)
C22'—C21—C21'—C20'−124 (2)N2—C19'—N2'—C181.4 (14)
C20—C21—C21'—C20'0.4 (13)C20—C19'—N2'—C2'−1(2)
C22—C21—C21'—C20'−125 (3)C19—C19'—N2'—C2'−72.8 (13)
C22'—C21—C21'—C20−124.0 (17)C20'—C19'—N2'—C2'−43.1 (16)
C20'—C21—C21'—C20−0.4 (13)N2—C19'—N2'—C2'−73.1 (13)
C22—C21—C21'—C20−126 (2)C20—C19'—N2'—C1972.0 (13)
C20—C20'—C21'—C21−1(2)C20'—C19'—N2'—C1929.6 (7)
C19—C20'—C21'—C21−104 (3)N2—C19'—N2'—C19−0.3 (13)
C19'—C20'—C21'—C21−46 (2)C2—C2'—N2'—N2−178 (2)
C20—C20'—C21'—C22'−130.6 (14)C3—C2'—N2'—N2114.3 (12)
C19—C20'—C21'—C22'126.2 (18)N2—C2'—N2'—C2178 (2)
C19'—C20'—C21'—C22'−175.6 (12)C3—C2'—N2'—C2−68.2 (17)
C21—C20'—C21'—C22'−130 (3)C2—C2'—N2'—C1109.6 (18)
C20—C20'—C21'—C22−143.3 (12)N2—C2'—N2'—C1−72.9 (10)
C19—C20'—C21'—C22113.6 (18)C3—C2'—N2'—C141.4 (9)
C19'—C20'—C21'—C22171.8 (10)C2—C2'—N2'—C19'−91 (2)
C21—C20'—C21'—C22−143 (2)N2—C2'—N2'—C19'86.3 (14)
C19—C20'—C21'—C20−103 (2)C3—C2'—N2'—C19'−159.4 (10)
C19'—C20'—C21'—C20−44.9 (9)C2—C2'—N2'—C19−134.0 (18)
C21—C20'—C21'—C201(2)N2—C2'—N2'—C1943.5 (9)
C20'—C20—C21'—C21179 (2)C3—C2'—N2'—C19157.8 (7)
C19'—C20—C21'—C21−109 (2)C20'—C19—N2'—N2125.9 (16)
C19—C20—C21'—C21−153.5 (19)C19'—C19—N2'—N2−179.6 (16)
C20'—C20—C21'—C22'67.9 (17)C20—C19—N2'—N2145.2 (13)
C19'—C20—C21'—C22'140.1 (15)C20'—C19—N2'—C252.6 (16)
C21—C20—C21'—C22'−111 (3)C19'—C19—N2'—C2107.1 (13)
C19—C20—C21'—C22'95.2 (15)N2—C19—N2'—C2−73.4 (13)
C20'—C20—C21'—C2250.6 (15)C20—C19—N2'—C271.8 (10)
C19'—C20—C21'—C22122.8 (14)C20'—C19—N2'—C1−175.9 (11)
C21—C20—C21'—C22−129 (3)C19'—C19—N2'—C1−121.4 (11)
C19—C20—C21'—C2277.9 (13)N2—C19—N2'—C158.2 (11)
C19'—C20—C21'—C20'72.3 (14)C20—C19—N2'—C1−156.6 (7)
C21—C20—C21'—C20'−179 (2)C20'—C19—N2'—C19'−54.5 (13)
C19—C20—C21'—C20'27.3 (9)N2—C19—N2'—C19'179.6 (16)
C21—C21'—C22—N354 (3)C20—C19—N2'—C19'−35.2 (8)
C22'—C21'—C22—N360 (4)C20'—C19—N2'—C2'73.4 (14)
C20'—C21'—C22—N3175.9 (9)C19'—C19—N2'—C2'127.9 (11)
C20—C21'—C22—N3149.0 (11)N2—C19—N2'—C2'−52.5 (11)
C22'—C21'—C22—C216(5)C20—C19—N2'—C2'92.7 (8)
C20'—C21'—C22—C21122 (3)C5—C6—N3—C41.2 (5)
C20—C21'—C22—C2195 (3)C5—C6—N3—C22163.7 (7)
C21'—C21—C22—N3−128 (3)C5—C6—N3—C22'−173.6 (7)
C22'—C21—C22—N362 (6)N4—C4—N3—C6−1.0 (5)
C20—C21—C22—N3170.6 (7)C13—C4—N3—C6179.2 (4)
C20'—C21—C22—N3−174.4 (7)N4—C4—N3—C22−162.0 (8)
C22'—C21—C22—C21'−170 (7)C13—C4—N3—C2218.2 (10)
C20—C21—C22—C21'−62 (3)N4—C4—N3—C22'173.7 (7)
C20'—C21—C22—C21'−46 (3)C13—C4—N3—C22'−6.1 (9)
C21—C21'—C22'—N372 (3)C21'—C22—N3—C680.4 (10)
C22—C21'—C22'—N3−103 (4)C21—C22—N3—C690.1 (7)
C20'—C21'—C22'—N3−171.3 (9)C21'—C22—N3—C4−121.2 (8)
C20—C21'—C22'—N3154.7 (10)C21—C22—N3—C4−111.5 (7)
C22—C21'—C22'—C21−175 (4)C21'—C22—N3—C22'−26.4 (18)
C20'—C21'—C22'—C21117 (3)C21—C22—N3—C22'−16.7 (19)
C20—C21'—C22'—C2183 (3)C21'—C22'—N3—C649.6 (15)
C20—C21—C22'—C21'−65 (2)C21—C22'—N3—C669.6 (10)
C20'—C21—C22'—C21'−47 (2)C21'—C22'—N3—C4−124.0 (12)
C22—C21—C22'—C21'9(6)C21—C22'—N3—C4−104.0 (8)
C21'—C21—C22'—N3−118 (3)C21'—C22'—N3—C22136 (3)
C20—C21—C22'—N3176.5 (7)C21—C22'—N3—C22156 (3)
C20'—C21—C22'—N3−165.5 (8)N3—C4—N4—C50.4 (5)
C22—C21—C22'—N3−109 (6)C13—C4—N4—C5−179.9 (4)
N1—Cd1—C23—O149.2 (3)N3—C4—N4—Cd1ii−163.9 (3)
N4i—Cd1—C23—O1156.9 (3)C13—C4—N4—Cd1ii15.9 (6)
O2—Cd1—C23—O1−178.5 (5)C6—C5—N4—C40.4 (5)
Cl—Cd1—C23—O1−73.7 (3)C6—C5—N4—Cd1ii165.5 (3)
N1—Cd1—C23—O2−132.3 (3)O2—C23—O1—Cd1−1.6 (6)
N4i—Cd1—C23—O2−24.6 (4)C24—C23—O1—Cd1−179.6 (4)
O1—Cd1—C23—O2178.5 (5)N1—Cd1—O1—C23−135.5 (3)
Cl—Cd1—C23—O2104.8 (3)N4i—Cd1—O1—C23−33.7 (4)
O1—C23—C24—C2914.5 (9)O2—Cd1—O1—C230.8 (3)
O2—C23—C24—C29−163.7 (6)Cl—Cd1—O1—C23112.5 (3)
O1—C23—C24—C25−169.0 (6)O1—C23—O2—Cd11.6 (6)
O2—C23—C24—C2512.8 (8)C24—C23—O2—Cd1179.7 (4)
C29—C24—C25—C260.6 (11)N1—Cd1—O2—C2361.2 (4)
C23—C24—C25—C26−176.0 (7)N4i—Cd1—O2—C23158.2 (3)
C24—C25—C26—C27−0.4 (14)O1—Cd1—O2—C23−0.8 (3)
C25—C26—C27—C28−0.2 (17)Cl—Cd1—O2—C23−85.3 (3)
Symmetry codes: (i) x, −y+3/2, z+1/2; (ii) x, −y+3/2, z−1/2.
Table 1
Selected geometric parameters (Å, °) top
Cd1—N12.258 (3)Cd1—O12.430 (4)
Cd1—N4i2.259 (3)Cd1—Cl2.4361 (13)
Cd1—O22.336 (3)
N1—Cd1—N4i94.39 (13)O2—Cd1—O154.47 (13)
N1—Cd1—O2128.78 (14)N1—Cd1—Cl111.06 (10)
N4i—Cd1—O291.65 (12)N4i—Cd1—Cl113.59 (10)
N1—Cd1—O193.84 (13)O2—Cd1—Cl112.63 (11)
N4i—Cd1—O1140.93 (13)O1—Cd1—Cl98.70 (11)
Symmetry codes: (i) x, −y+3/2, z+1/2.
Acknowledgements top

The authors thank the National Natural Science Foundation of China (grant No. 20471014), the Program for New Century Excellent Talents in Chinese University (grant No. 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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Sheldrick, G. M. (1996). SADABS. Version 2.03. University of Göttingen, Germany.

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