metal-organic compounds\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

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ISSN: 2056-9890

Bis(μ-2-phenyl­quinoline-4-carboxyl­ato)-κ3O,O′:O;κ3O:O,O′-bis­­[(2,2′-bi­pyridine-κ2N,N′)(2-phenyl­quinoline-4-carboxyl­ato-κ2O,O′)cadmium(II)]

aFaculty of Materials Science and Chemical Engineering, Ningbo University, Ningbo, Zhejiang 315211, People's Republic of China
*Correspondence e-mail: lix905@126.com

(Received 3 November 2010; accepted 27 November 2010; online 4 December 2010)

The neutral binuclear title complex, [Cd2(C16H10NO2)4(C10H8N2)2], is centrosymmetric, with the inversion center generating the central (μ-O)2Cd2 bridge. The CdII ion is in a strongly distorted CdN2O5 penta­gonal-bipyramidal geometry, defined by two N atoms from one 2,2′-bipyridine ligand and five O atoms from three 2-phenyl­quinoline-4-carboxyl­ate ligands, one monodentate, two bidentate. Weak inter­molecular ππ inter­actions [centroid–centroid distance = 3.712 (3) Å] help to establish the packing of the structure.

Related literature

For complexes including 2-phenyl­quinoline-4-carboxyl­ate as a ligand, see: Che et al. (2005[Che, G.-B., Liu, C.-B., Cui, Y.-C. & Li, C.-B. (2005). Acta Cryst. E61, m2449-m2451.]); Qin et al. (1999[Qin, Z. Q., Jenkins, H. A., Coles, S. J., Muir, K. W. & Puddephatt, R. J. (1999). Can. J. Chem. 77, 155-157.], 2002[Qin, Z. Q., Jennings, M. C., Puddephatt, R. J. & Muir, K. W. (2002). Inorg. Chem. 41, 5174-5186.]); Shen et al. (2007[Shen, Y.-C., Li, Z.-J., Cheng, J.-K., Qin, Y.-Y. & Yao, Y.-G. (2007). Inorg. Chem. Commun. 10, 888-890.]); Zhang et al. (2009[Zhang, X., Wei, P. & Li, B. (2009). Acta Cryst. E65, m223.]).

[Scheme 1]

Experimental

Crystal data
  • [Cd2(C16H10NO2)4(C10H8N2)2]

  • Mr = 1530.17

  • Triclinic, [P \overline 1]

  • a = 10.000 (2) Å

  • b = 13.047 (3) Å

  • c = 13.157 (3) Å

  • α = 91.513 (3)°

  • β = 97.130 (3)°

  • γ = 95.185 (3)°

  • V = 1695.1 (6) Å3

  • Z = 1

  • Mo Kα radiation

  • μ = 0.70 mm−1

  • T = 298 K

  • 0.32 × 0.21 × 0.16 mm

Data collection
  • Bruker SMART APEX CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2001[Bruker (2001). SAINT, SMART and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.839, Tmax = 0.895

  • 14431 measured reflections

  • 7492 independent reflections

  • 5547 reflections with I > 2σ(I)

  • Rint = 0.032

Refinement
  • R[F2 > 2σ(F2)] = 0.045

  • wR(F2) = 0.134

  • S = 1.02

  • 7492 reflections

  • 460 parameters

  • H-atom parameters constrained

  • Δρmax = 1.07 e Å−3

  • Δρmin = −1.36 e Å−3

Table 1
Selected geometric parameters (Å, °)

Cd1—N4 2.328 (3)
Cd1—O2i 2.336 (3)
Cd1—N3 2.338 (3)
Cd1—O2 2.338 (3)
Cd1—O3 2.349 (3)
Cd1—O4 2.465 (3)
Cd1—O1 2.618 (3)
Symmetry code: (i) -x+1, -y+1, -z.

Data collection: SMART (Bruker, 2001[Bruker (2001). SAINT, SMART and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2001[Bruker (2001). SAINT, SMART and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: SHELXTL-Plus (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]) and DIAMOND (Brandenburg, 2006[Brandenburg, K. (2006). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: SHELXL97.

Supporting information


Comment top

2-Phenylquinoline-4-carboxylic acid (Hphqc) is a potential multi-functional ligand containing carboxylate group and nitrogen coordination donors, and possesses rich coordination and structural chemistry. Few coordination compounds including 2-phenylquinoline-4-carboxylates have been assembled over twenty years (Che et al., 2005, Qin et al., 1999, 2002, Shen et al., 2007, Zhang et al., 2009). To the best of our knowledge, Cd(II) complexes with Hphqc have not been reported up to now. Herein, we report a new compound constructed from Cd(II) ions and (phqc)- ligands.

The title compound reveals to be a centrosymmetric binuclear Cd(II) complex, as shown in Fig. 1. The Cd atom is seven-coordinated in a pentagonal bipyramidal geometry. The Cd(II) center is coordinated to two N donors from one 2,2'-bipyridine ligand and five O atoms from three (phqc)- ligands. The Cd—O bond lengths are ranging from 2.336 (3) to 2.618 (3) Å, and Cd—N distance are 2.328 (3) and 2.338 (3) Å.

In complex 1, the centroid-to-centroid separation of the nearest two benzene rings of the 2,2'-bipyridine (N3, C33, C34, C35, C36, C37) and (N4, C38, C39, C40, C41, C42) is 3.712 Å, which implies intermolecular ππ stacking interaction. The dinuclear Cd(II) units are linked through these interactions to generate a one-dimensional chain (Fig. 2).

Related literature top

For complexes including 2-phenylquinoline-4-carboxylate as a ligand, see: Che et al. (2005); Qin et al. (1999, 2002); Shen et al. (2007); Zhang et al. (2009).

Experimental top

2-phenylquinoline-4-carboxylic acid (0.0240 g, 0.10 mmol), 3CdSO4.8H2O (0.0774 g, 0.10 mmol), 2,2'-bipyridine (0.0156 g, 0.10 mmol) and KOH (0.0056 g, 0.10 mmol) in H2O (10 ml) were placed in a 25 ml stainless reactor fitted with a Teflon liner and heated to 373 K (100 °C) for two days, and then cooled to room temperature. Colorless block-like crystals were obtained and dried in air. Yield: 76%, based on Cd.

Refinement top

H atoms attached to C atoms were placed in calculated positions and treated using a riding-model approximation, with C–H = 0.93 Å and Uiso(H) = 1.2Ueq(carrier C atom)].

Structure description top

2-Phenylquinoline-4-carboxylic acid (Hphqc) is a potential multi-functional ligand containing carboxylate group and nitrogen coordination donors, and possesses rich coordination and structural chemistry. Few coordination compounds including 2-phenylquinoline-4-carboxylates have been assembled over twenty years (Che et al., 2005, Qin et al., 1999, 2002, Shen et al., 2007, Zhang et al., 2009). To the best of our knowledge, Cd(II) complexes with Hphqc have not been reported up to now. Herein, we report a new compound constructed from Cd(II) ions and (phqc)- ligands.

The title compound reveals to be a centrosymmetric binuclear Cd(II) complex, as shown in Fig. 1. The Cd atom is seven-coordinated in a pentagonal bipyramidal geometry. The Cd(II) center is coordinated to two N donors from one 2,2'-bipyridine ligand and five O atoms from three (phqc)- ligands. The Cd—O bond lengths are ranging from 2.336 (3) to 2.618 (3) Å, and Cd—N distance are 2.328 (3) and 2.338 (3) Å.

In complex 1, the centroid-to-centroid separation of the nearest two benzene rings of the 2,2'-bipyridine (N3, C33, C34, C35, C36, C37) and (N4, C38, C39, C40, C41, C42) is 3.712 Å, which implies intermolecular ππ stacking interaction. The dinuclear Cd(II) units are linked through these interactions to generate a one-dimensional chain (Fig. 2).

For complexes including 2-phenylquinoline-4-carboxylate as a ligand, see: Che et al. (2005); Qin et al. (1999, 2002); Shen et al. (2007); Zhang et al. (2009).

Computing details top

Data collection: SMART (Bruker, 2001); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT (Bruker, 2001); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL-Plus (Sheldrick, 2008) and DIAMOND (Brandenburg, 2006); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008).

Figures top
[Figure 1] Fig. 1. A view of the title compound with displacement ellipsoids drawn at the 30% probability level [symmetry code: (A) -x + 1, -y + 1, -z].
[Figure 2] Fig. 2. One-dimensional structure of the title complex..
Bis(µ-2-phenylquinoline-4-carboxylato)- κ3O,O':O;κ3O:O,O'- bis[(2,2'-bipyridine-κ2N,N')(2-phenylquinoline-4- carboxylato-κ2O,O')cadmium(II)] top
Crystal data top
[Cd2(C16H10NO2)4(C10H8N2)2]Z = 1
Mr = 1530.17F(000) = 776
Triclinic, P1Dx = 1.499 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 10.000 (2) ÅCell parameters from 14431 reflections
b = 13.047 (3) Åθ = 1.6–27.5°
c = 13.157 (3) ŵ = 0.70 mm1
α = 91.513 (3)°T = 298 K
β = 97.130 (3)°Block, colourless
γ = 95.185 (3)°0.32 × 0.21 × 0.16 mm
V = 1695.1 (6) Å3
Data collection top
Bruker SMART APEX CCD area-detector
diffractometer
7492 independent reflections
Radiation source: fine-focus sealed tube5547 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.032
φ and ω scansθmax = 27.5°, θmin = 1.6°
Absorption correction: multi-scan
(SADABS; Bruker, 2001)
h = 1212
Tmin = 0.839, Tmax = 0.895k = 1616
14431 measured reflectionsl = 1716
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.045Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.134H-atom parameters constrained
S = 1.02 w = 1/[σ2(Fo2) + (0.0731P)2 + 0.665P]
where P = (Fo2 + 2Fc2)/3
7492 reflections(Δ/σ)max < 0.001
460 parametersΔρmax = 1.07 e Å3
0 restraintsΔρmin = 1.36 e Å3
0 constraints
Crystal data top
[Cd2(C16H10NO2)4(C10H8N2)2]γ = 95.185 (3)°
Mr = 1530.17V = 1695.1 (6) Å3
Triclinic, P1Z = 1
a = 10.000 (2) ÅMo Kα radiation
b = 13.047 (3) ŵ = 0.70 mm1
c = 13.157 (3) ÅT = 298 K
α = 91.513 (3)°0.32 × 0.21 × 0.16 mm
β = 97.130 (3)°
Data collection top
Bruker SMART APEX CCD area-detector
diffractometer
7492 independent reflections
Absorption correction: multi-scan
(SADABS; Bruker, 2001)
5547 reflections with I > 2σ(I)
Tmin = 0.839, Tmax = 0.895Rint = 0.032
14431 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0450 restraints
wR(F2) = 0.134H-atom parameters constrained
S = 1.02Δρmax = 1.07 e Å3
7492 reflectionsΔρmin = 1.36 e Å3
460 parameters
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Cd10.33778 (3)0.47866 (2)0.05568 (2)0.03810 (11)
O10.3538 (3)0.6793 (2)0.0437 (3)0.0587 (8)
O20.5332 (3)0.59229 (19)0.0598 (2)0.0443 (7)
O30.3779 (3)0.5140 (3)0.2334 (2)0.0564 (8)
O40.4866 (3)0.3875 (2)0.1788 (2)0.0549 (8)
N10.7437 (4)0.9514 (3)0.0256 (3)0.0504 (9)
N20.7618 (4)0.5106 (3)0.5176 (3)0.0562 (10)
N30.1677 (3)0.3442 (2)0.0602 (3)0.0403 (7)
N40.1683 (3)0.4902 (2)0.0807 (3)0.0395 (7)
C10.4769 (4)0.6758 (3)0.0501 (3)0.0400 (9)
C20.5700 (4)0.7730 (3)0.0457 (3)0.0375 (8)
C30.5460 (4)0.8372 (3)0.0337 (3)0.0414 (9)
H30.46970.82300.08180.050*
C40.6858 (4)0.7968 (3)0.1193 (3)0.0405 (9)
C50.7220 (4)0.7366 (3)0.2047 (3)0.0475 (10)
H50.67100.67480.21290.057*
C60.8309 (5)0.7682 (4)0.2750 (4)0.0632 (13)
H60.85290.72840.33120.076*
C70.9095 (6)0.8602 (5)0.2629 (4)0.0792 (17)
H70.98310.88140.31160.095*
C80.8799 (5)0.9186 (4)0.1813 (4)0.0712 (15)
H80.93420.97900.17410.085*
C90.7676 (4)0.8892 (3)0.1063 (3)0.0481 (10)
C100.6371 (4)0.9258 (3)0.0429 (3)0.0443 (10)
C110.6183 (5)0.9933 (3)0.1331 (3)0.0480 (10)
C120.4954 (5)0.9937 (4)0.1943 (4)0.0604 (12)
H120.42160.94980.18110.073*
C130.4821 (6)1.0595 (4)0.2756 (4)0.0757 (16)
H130.39861.05980.31550.091*
C140.7255 (6)1.0582 (4)0.1567 (4)0.0626 (13)
H140.80971.05820.11770.075*
C150.7097 (7)1.1232 (4)0.2373 (4)0.0804 (17)
H150.78291.16770.25080.097*
C160.5885 (7)1.1232 (4)0.2977 (5)0.0800 (17)
H160.57911.16610.35300.096*
C170.4680 (4)0.4531 (4)0.2459 (3)0.0482 (10)
C180.5663 (4)0.4659 (3)0.3445 (3)0.0456 (10)
C190.5886 (4)0.5610 (3)0.3926 (3)0.0474 (10)
H190.53590.61290.36940.057*
C200.6428 (5)0.3864 (4)0.3859 (3)0.0500 (10)
C210.6304 (5)0.2832 (4)0.3474 (4)0.0633 (13)
H210.57140.26410.28820.076*
C220.7046 (6)0.2104 (4)0.3963 (5)0.0755 (16)
H220.69520.14290.37010.091*
C230.7935 (7)0.2381 (5)0.4849 (5)0.0823 (17)
H230.84250.18850.51780.099*
C240.8095 (6)0.3356 (5)0.5233 (4)0.0782 (16)
H240.86920.35220.58260.094*
C250.7377 (5)0.4129 (4)0.4756 (3)0.0548 (11)
C260.6904 (5)0.5819 (4)0.4768 (3)0.0502 (10)
C270.7241 (5)0.6903 (4)0.5209 (3)0.0539 (11)
C280.8561 (6)0.7209 (5)0.5635 (4)0.0736 (15)
H280.92090.67390.56830.088*
C290.8908 (7)0.8215 (5)0.5986 (5)0.0889 (19)
H290.98000.84270.62480.107*
C300.6305 (6)0.7601 (4)0.5161 (4)0.0666 (14)
H300.54250.74020.48610.080*
C310.6634 (7)0.8600 (5)0.5549 (5)0.0878 (18)
H310.59720.90580.55350.105*
C320.7940 (8)0.8911 (5)0.5953 (5)0.097 (2)
H320.81760.95860.62020.116*
C330.1753 (4)0.2716 (3)0.1293 (3)0.0498 (10)
H330.25150.27470.17810.060*
C340.0750 (5)0.1920 (3)0.1319 (4)0.0598 (13)
H340.08440.14140.18010.072*
C350.0381 (5)0.1893 (3)0.0622 (4)0.0626 (13)
H350.10800.13730.06290.075*
C360.0483 (4)0.2644 (3)0.0096 (4)0.0526 (11)
H360.12530.26390.05720.063*
C370.0583 (4)0.3412 (3)0.0099 (3)0.0377 (8)
C380.0570 (4)0.4227 (3)0.0875 (3)0.0359 (8)
C390.0508 (4)0.4296 (3)0.1635 (3)0.0485 (10)
H390.12880.38460.16590.058*
C400.0408 (5)0.5043 (4)0.2358 (3)0.0555 (11)
H400.11220.50980.28720.067*
C410.0742 (5)0.5695 (4)0.2312 (3)0.0551 (11)
H410.08340.61880.28030.066*
C420.1766 (4)0.5613 (3)0.1527 (3)0.0495 (10)
H420.25460.60660.14920.059*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cd10.03085 (17)0.03765 (16)0.04228 (18)0.00643 (11)0.00203 (11)0.00059 (11)
O10.0335 (17)0.0550 (18)0.084 (2)0.0065 (13)0.0006 (16)0.0042 (16)
O20.0529 (18)0.0303 (13)0.0496 (16)0.0019 (12)0.0107 (14)0.0036 (11)
O30.0427 (18)0.078 (2)0.0460 (17)0.0069 (16)0.0041 (14)0.0008 (15)
O40.058 (2)0.0571 (18)0.0453 (17)0.0036 (15)0.0040 (15)0.0029 (15)
N10.052 (2)0.0368 (17)0.059 (2)0.0091 (15)0.0023 (18)0.0033 (16)
N20.051 (2)0.072 (3)0.043 (2)0.010 (2)0.0053 (18)0.0021 (19)
N30.0346 (18)0.0385 (16)0.0455 (19)0.0024 (13)0.0012 (15)0.0019 (14)
N40.0334 (18)0.0400 (16)0.0432 (18)0.0003 (13)0.0003 (14)0.0008 (14)
C10.041 (2)0.0329 (18)0.043 (2)0.0083 (16)0.0033 (18)0.0039 (16)
C20.035 (2)0.0288 (17)0.048 (2)0.0015 (15)0.0059 (17)0.0053 (16)
C30.037 (2)0.0348 (18)0.050 (2)0.0010 (16)0.0003 (18)0.0062 (17)
C40.038 (2)0.0336 (18)0.048 (2)0.0030 (16)0.0056 (18)0.0026 (16)
C50.050 (3)0.043 (2)0.047 (2)0.0047 (18)0.003 (2)0.0003 (18)
C60.065 (3)0.063 (3)0.057 (3)0.002 (2)0.009 (2)0.011 (2)
C70.063 (4)0.087 (4)0.074 (4)0.024 (3)0.027 (3)0.010 (3)
C80.061 (3)0.065 (3)0.076 (4)0.026 (3)0.014 (3)0.009 (3)
C90.043 (2)0.041 (2)0.056 (3)0.0076 (18)0.003 (2)0.0008 (19)
C100.047 (3)0.0312 (18)0.053 (2)0.0023 (17)0.004 (2)0.0011 (17)
C110.057 (3)0.0338 (19)0.053 (3)0.0030 (18)0.009 (2)0.0008 (18)
C120.065 (3)0.050 (2)0.067 (3)0.010 (2)0.005 (3)0.007 (2)
C130.088 (4)0.070 (3)0.072 (4)0.030 (3)0.000 (3)0.015 (3)
C140.069 (3)0.055 (3)0.061 (3)0.006 (2)0.005 (3)0.005 (2)
C150.108 (5)0.062 (3)0.071 (4)0.012 (3)0.023 (4)0.016 (3)
C160.110 (5)0.062 (3)0.072 (4)0.013 (3)0.018 (4)0.024 (3)
C170.041 (2)0.058 (3)0.043 (2)0.010 (2)0.0041 (19)0.009 (2)
C180.039 (2)0.059 (3)0.037 (2)0.0002 (19)0.0030 (18)0.0051 (19)
C190.040 (2)0.061 (3)0.041 (2)0.0045 (19)0.0026 (19)0.005 (2)
C200.045 (3)0.060 (3)0.044 (2)0.001 (2)0.007 (2)0.005 (2)
C210.065 (3)0.067 (3)0.054 (3)0.003 (3)0.005 (2)0.003 (2)
C220.087 (4)0.062 (3)0.076 (4)0.016 (3)0.000 (3)0.002 (3)
C230.092 (5)0.079 (4)0.075 (4)0.030 (3)0.009 (3)0.008 (3)
C240.086 (4)0.082 (4)0.062 (3)0.022 (3)0.017 (3)0.001 (3)
C250.057 (3)0.066 (3)0.042 (2)0.013 (2)0.001 (2)0.007 (2)
C260.045 (3)0.066 (3)0.038 (2)0.002 (2)0.0037 (19)0.003 (2)
C270.057 (3)0.060 (3)0.043 (2)0.004 (2)0.001 (2)0.001 (2)
C280.072 (4)0.079 (4)0.063 (3)0.002 (3)0.012 (3)0.009 (3)
C290.081 (4)0.091 (4)0.085 (4)0.013 (4)0.007 (3)0.028 (4)
C300.065 (3)0.071 (3)0.063 (3)0.003 (3)0.008 (3)0.007 (3)
C310.093 (5)0.075 (4)0.095 (5)0.012 (3)0.007 (4)0.015 (3)
C320.118 (6)0.076 (4)0.090 (5)0.010 (4)0.005 (4)0.026 (4)
C330.044 (3)0.049 (2)0.054 (3)0.0040 (19)0.001 (2)0.004 (2)
C340.062 (3)0.044 (2)0.070 (3)0.010 (2)0.004 (3)0.014 (2)
C350.053 (3)0.044 (2)0.085 (4)0.017 (2)0.002 (3)0.009 (2)
C360.036 (2)0.043 (2)0.073 (3)0.0075 (18)0.007 (2)0.004 (2)
C370.031 (2)0.0335 (18)0.047 (2)0.0013 (15)0.0036 (17)0.0087 (16)
C380.0278 (19)0.0386 (19)0.040 (2)0.0016 (15)0.0031 (16)0.0119 (16)
C390.034 (2)0.055 (2)0.053 (3)0.0004 (18)0.0052 (19)0.008 (2)
C400.052 (3)0.069 (3)0.043 (2)0.013 (2)0.005 (2)0.006 (2)
C410.055 (3)0.066 (3)0.045 (3)0.011 (2)0.006 (2)0.010 (2)
C420.041 (2)0.054 (2)0.051 (3)0.0015 (19)0.000 (2)0.010 (2)
Geometric parameters (Å, º) top
Cd1—N42.328 (3)C15—H150.9300
Cd1—O2i2.336 (3)C16—H160.9300
Cd1—N32.338 (3)C17—C181.524 (6)
Cd1—O22.338 (3)C18—C191.365 (6)
Cd1—O32.349 (3)C18—C201.424 (6)
Cd1—O42.465 (3)C19—C261.411 (6)
Cd1—O12.618 (3)C19—H190.9300
Cd1—C172.717 (4)C20—C211.416 (7)
O1—C11.229 (5)C20—C251.433 (6)
O2—C11.274 (5)C21—C221.381 (7)
O2—Cd1i2.336 (3)C21—H210.9300
O3—C171.252 (5)C22—C231.394 (8)
O4—C171.255 (5)C22—H220.9300
N1—C101.319 (5)C23—C241.345 (8)
N1—C91.365 (5)C23—H230.9300
N2—C261.309 (6)C24—C251.407 (7)
N2—C251.366 (6)C24—H240.9300
N3—C331.331 (5)C26—C271.507 (6)
N3—C371.338 (5)C27—C301.361 (7)
N4—C381.348 (5)C27—C281.387 (7)
N4—C421.348 (5)C28—C291.379 (8)
C1—C21.510 (5)C28—H280.9300
C2—C31.367 (5)C29—C321.383 (9)
C2—C41.420 (5)C29—H290.9300
C3—C101.423 (5)C30—C311.383 (8)
C3—H30.9300C30—H300.9300
C4—C51.416 (6)C31—C321.369 (9)
C4—C91.421 (5)C31—H310.9300
C5—C61.365 (6)C32—H320.9300
C5—H50.9300C33—C341.382 (6)
C6—C71.398 (7)C33—H330.9300
C6—H60.9300C34—C351.363 (7)
C7—C81.352 (7)C34—H340.9300
C7—H70.9300C35—C361.380 (6)
C8—C91.417 (6)C35—H350.9300
C8—H80.9300C36—C371.395 (5)
C10—C111.500 (6)C36—H360.9300
C11—C141.377 (6)C37—C381.493 (5)
C11—C121.384 (7)C38—C391.387 (6)
C12—C131.390 (7)C39—C401.386 (6)
C12—H120.9300C39—H390.9300
C13—C161.356 (8)C40—C411.362 (7)
C13—H130.9300C40—H400.9300
C14—C151.378 (7)C41—C421.374 (6)
C14—H140.9300C41—H410.9300
C15—C161.364 (9)C42—H420.9300
N4—Cd1—O2i88.20 (11)C14—C15—H15119.5
N4—Cd1—N370.50 (11)C13—C16—C15118.7 (5)
O2i—Cd1—N3100.51 (10)C13—C16—H16120.6
N4—Cd1—O2116.98 (10)C15—C16—H16120.6
O2i—Cd1—O274.31 (10)O3—C17—O4123.4 (4)
N3—Cd1—O2170.24 (10)O3—C17—C18117.6 (4)
N4—Cd1—O3139.30 (12)O4—C17—C18118.8 (4)
O2i—Cd1—O3132.48 (11)O3—C17—Cd159.7 (2)
N3—Cd1—O396.47 (11)O4—C17—Cd165.0 (2)
O2—Cd1—O381.66 (10)C18—C17—Cd1163.5 (3)
N4—Cd1—O4155.01 (11)C19—C18—C20118.0 (4)
O2i—Cd1—O481.67 (11)C19—C18—C17117.9 (4)
N3—Cd1—O488.89 (11)C20—C18—C17123.9 (4)
O2—Cd1—O482.22 (10)C18—C19—C26121.1 (4)
O3—Cd1—O454.54 (11)C18—C19—H19119.4
N4—Cd1—O181.20 (11)C26—C19—H19119.4
O2i—Cd1—O1110.20 (10)C21—C20—C18125.4 (4)
N3—Cd1—O1137.22 (11)C21—C20—C25117.5 (4)
O2—Cd1—O152.33 (9)C18—C20—C25117.0 (4)
O3—Cd1—O184.39 (11)C22—C21—C20121.0 (5)
O4—Cd1—O1123.74 (10)C22—C21—H21119.5
N4—Cd1—C17162.27 (12)C20—C21—H21119.5
O2i—Cd1—C17106.23 (13)C21—C22—C23120.1 (5)
N3—Cd1—C1796.26 (12)C21—C22—H22120.0
O2—Cd1—C1777.65 (11)C23—C22—H22120.0
O3—Cd1—C1727.41 (12)C24—C23—C22120.8 (5)
O4—Cd1—C1727.49 (12)C24—C23—H23119.6
O1—Cd1—C17102.66 (12)C22—C23—H23119.6
C1—O1—Cd186.3 (2)C23—C24—C25121.3 (5)
C1—O2—Cd1i126.3 (2)C23—C24—H24119.3
C1—O2—Cd198.3 (2)C25—C24—H24119.3
Cd1i—O2—Cd1105.69 (10)N2—C25—C24118.0 (4)
C17—O3—Cd192.9 (3)N2—C25—C20122.8 (4)
C17—O4—Cd187.5 (3)C24—C25—C20119.2 (5)
C10—N1—C9118.3 (3)N2—C26—C19122.5 (4)
C26—N2—C25118.3 (4)N2—C26—C27117.3 (4)
C33—N3—C37119.2 (3)C19—C26—C27120.2 (4)
C33—N3—Cd1122.8 (3)C30—C27—C28119.1 (5)
C37—N3—Cd1118.0 (2)C30—C27—C26122.0 (5)
C38—N4—C42118.8 (3)C28—C27—C26118.9 (5)
C38—N4—Cd1118.2 (2)C29—C28—C27119.7 (6)
C42—N4—Cd1122.9 (3)C29—C28—H28120.1
O1—C1—O2123.1 (3)C27—C28—H28120.1
O1—C1—C2120.5 (4)C28—C29—C32120.6 (6)
O2—C1—C2116.4 (4)C28—C29—H29119.7
C3—C2—C4119.1 (3)C32—C29—H29119.7
C3—C2—C1119.3 (4)C27—C30—C31121.4 (6)
C4—C2—C1121.5 (3)C27—C30—H30119.3
C2—C3—C10120.3 (4)C31—C30—H30119.3
C2—C3—H3119.9C32—C31—C30119.6 (6)
C10—C3—H3119.9C32—C31—H31120.2
C5—C4—C2124.6 (3)C30—C31—H31120.2
C5—C4—C9118.8 (4)C31—C32—C29119.4 (6)
C2—C4—C9116.6 (4)C31—C32—H32120.3
C6—C5—C4120.7 (4)C29—C32—H32120.3
C6—C5—H5119.6N3—C33—C34122.9 (4)
C4—C5—H5119.6N3—C33—H33118.6
C5—C6—C7120.2 (4)C34—C33—H33118.6
C5—C6—H6119.9C35—C34—C33118.4 (4)
C7—C6—H6119.9C35—C34—H34120.8
C8—C7—C6120.8 (5)C33—C34—H34120.8
C8—C7—H7119.6C34—C35—C36119.5 (4)
C6—C7—H7119.6C34—C35—H35120.3
C7—C8—C9121.1 (4)C36—C35—H35120.3
C7—C8—H8119.5C35—C36—C37119.3 (4)
C9—C8—H8119.5C35—C36—H36120.4
N1—C9—C8118.2 (4)C37—C36—H36120.4
N1—C9—C4123.5 (4)N3—C37—C36120.7 (4)
C8—C9—C4118.3 (4)N3—C37—C38116.9 (3)
N1—C10—C3122.1 (4)C36—C37—C38122.4 (4)
N1—C10—C11116.6 (3)N4—C38—C39120.9 (4)
C3—C10—C11121.3 (4)N4—C38—C37116.2 (3)
C14—C11—C12117.9 (4)C39—C38—C37122.9 (3)
C14—C11—C10119.8 (4)C40—C39—C38119.2 (4)
C12—C11—C10122.3 (4)C40—C39—H39120.4
C11—C12—C13120.2 (5)C38—C39—H39120.4
C11—C12—H12119.9C41—C40—C39119.6 (4)
C13—C12—H12119.9C41—C40—H40120.2
C16—C13—C12121.2 (6)C39—C40—H40120.2
C16—C13—H13119.4C40—C41—C42118.9 (4)
C12—C13—H13119.4C40—C41—H41120.6
C11—C14—C15120.9 (5)C42—C41—H41120.6
C11—C14—H14119.6N4—C42—C41122.5 (4)
C15—C14—H14119.6N4—C42—H42118.8
C16—C15—C14121.1 (5)C41—C42—H42118.8
C16—C15—H15119.5
Symmetry code: (i) x+1, y+1, z.

Experimental details

Crystal data
Chemical formula[Cd2(C16H10NO2)4(C10H8N2)2]
Mr1530.17
Crystal system, space groupTriclinic, P1
Temperature (K)298
a, b, c (Å)10.000 (2), 13.047 (3), 13.157 (3)
α, β, γ (°)91.513 (3), 97.130 (3), 95.185 (3)
V3)1695.1 (6)
Z1
Radiation typeMo Kα
µ (mm1)0.70
Crystal size (mm)0.32 × 0.21 × 0.16
Data collection
DiffractometerBruker SMART APEX CCD area-detector
Absorption correctionMulti-scan
(SADABS; Bruker, 2001)
Tmin, Tmax0.839, 0.895
No. of measured, independent and
observed [I > 2σ(I)] reflections
14431, 7492, 5547
Rint0.032
(sin θ/λ)max1)0.649
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.045, 0.134, 1.02
No. of reflections7492
No. of parameters460
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)1.07, 1.36

Computer programs: SMART (Bruker, 2001), SAINT (Bruker, 2001), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL-Plus (Sheldrick, 2008) and DIAMOND (Brandenburg, 2006).

Selected geometric parameters (Å, º) top
Cd1—N42.328 (3)Cd1—O32.349 (3)
Cd1—O2i2.336 (3)Cd1—O42.465 (3)
Cd1—N32.338 (3)Cd1—O12.618 (3)
Cd1—O22.338 (3)
N4—Cd1—O2i88.20 (11)O2i—Cd1—O481.67 (11)
N4—Cd1—N370.50 (11)N3—Cd1—O488.89 (11)
O2i—Cd1—N3100.51 (10)O2—Cd1—O482.22 (10)
N4—Cd1—O2116.98 (10)O3—Cd1—O454.54 (11)
O2i—Cd1—O274.31 (10)N4—Cd1—O181.20 (11)
N3—Cd1—O2170.24 (10)O2i—Cd1—O1110.20 (10)
N4—Cd1—O3139.30 (12)N3—Cd1—O1137.22 (11)
O2i—Cd1—O3132.48 (11)O2—Cd1—O152.33 (9)
N3—Cd1—O396.47 (11)O3—Cd1—O184.39 (11)
O2—Cd1—O381.66 (10)O4—Cd1—O1123.74 (10)
N4—Cd1—O4155.01 (11)
Symmetry code: (i) x+1, y+1, z.
 

Acknowledgements

The work was supported by the Ningbo Natural Science Foundation (2010 A610060), the `Qianjiang Talent' Projects of Zhejiang Province (2009R10032), the Program for Innovative Research Team of Ningbo Novel Photoelectric Materials and Devices (2009B21007) and the K. C. Wong Magna Fund in Ningbo University.

References

First citationBrandenburg, K. (2006). DIAMOND. Crystal Impact GbR, Bonn, Germany.  Google Scholar
First citationBruker (2001). SAINT, SMART and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.  Google Scholar
First citationChe, G.-B., Liu, C.-B., Cui, Y.-C. & Li, C.-B. (2005). Acta Cryst. E61, m2449–m2451.  Web of Science CSD CrossRef IUCr Journals Google Scholar
First citationQin, Z. Q., Jenkins, H. A., Coles, S. J., Muir, K. W. & Puddephatt, R. J. (1999). Can. J. Chem. 77, 155–157.  Web of Science CrossRef CAS Google Scholar
First citationQin, Z. Q., Jennings, M. C., Puddephatt, R. J. & Muir, K. W. (2002). Inorg. Chem. 41, 5174–5186.  Web of Science CSD CrossRef PubMed CAS Google Scholar
First citationSheldrick, G. M. (2008). Acta Cryst. A64, 112–122.  Web of Science CrossRef CAS IUCr Journals Google Scholar
First citationShen, Y.-C., Li, Z.-J., Cheng, J.-K., Qin, Y.-Y. & Yao, Y.-G. (2007). Inorg. Chem. Commun. 10, 888–890.  Web of Science CSD CrossRef CAS Google Scholar
First citationZhang, X., Wei, P. & Li, B. (2009). Acta Cryst. E65, m223.  Web of Science CSD CrossRef IUCr Journals Google Scholar

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