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Acta Cryst. (2007). E63, m2312    [ doi:10.1107/S1600536807039050 ]

Poly[[[[mu]4-4,4'-carbonylbis(benzene-3,4-dicarboxylato)]tetrakis(1,10-phenanthroline)dipalladium(II)] dihydrate]

Z.-F. Li, S.-W. Wang, Q. Zhang and X.-J. Yu

Abstract top

The title compound, {[Pd2(C17H6O9)(C12H8N2)4]·2H2O}n, was prepared by hydrothermal synthesis and is isostructural with its Cd2+-containing analogue. A twofold rotation axis passes through the carbonyl group of the benzophenone unit. In the asymmetric unit, the Pd atom exhibts a distorted octahedral geometry, consisting of two carboxylate O atoms from two 4,4'-carbonylbis(benzene-3,4-dicarboxylate) anions and four N atoms from two 1,10-phenanthroline ligands. The Pd-N and Pd-O bond lengths are in the ranges 2.391 (3)-2.520 (3) and 2.270 (2)-2.523 (3) Å, respectively. Two neighboring Pd atoms are bridged by 4,4'-carbonylbis(benzene-3,4-dicarboxylate) anions, forming a dinuclear complex, which is further bridged by 4,4'-carbonylbis(benzene-3,4-dicarboxylate) anions to form an infinite chain. Hydrogen bonds link the chains into a three-dimensional structure.

Comment top

As shown on Fig. 1, the palladium cation is hexa-coordinated by two carboxylate oxygen atoms from two 3,3',4,4'-benzophenone tetracarboxylate and four nitrogen atoms from two 1,10-phenanthroline ligand, exhibiting a distorted octahedral geometry. Each two Pd atoms form one circle via four carboxylate group belonging two of 3,3',4,4'-benzophenone tetracarboxylate, which are further linked to form one dimensional chain (Fig.2). Interestinfly, the benzophenone carbonyl group (C33═O5) lies on a twofold rotation axis. Moreover, the hydrogen bonds link the chains into a three-dimensional structure (Fig. 3).

Related literature top

For the isostructural Cd2+ analogue, see: Gao et al. (2007).

Experimental top

A mixture of palladium acetate (0.1 mmol), 3,3',4,4'-benzophenone tetracarboxylic acid (0.1 mmol), and 1,10-phenanthroline (0.2 mmol) in 16 ml 1:1 solution of methanol and acetonitrile was sealed in an 25 ml teflon-lined stainless autoclave, and kept at 393 K for 2 days. Colorless, block-shaped crystals were obtained after slowly cooling to room temperature with a yield of 8%. Anal. Calc. for C65H42N8O11Pd2: C 58.92, H 3.17, N 8.46%; Found: C 58.91, H 3.12, N 8.38%.

Refinement top

All H atoms on C atoms were generated geometrically and refined as riding atoms with C–H = 0.93Å and Uiso(H) = 1.2Ueq(C). The H atoms of the water molecule were located from difference density maps and were refined with distance restraints of d(H–H) = 1.38 (2) Å, d(O–H) = 0.82 (2) Å, and with a fixed Uiso of 0.80 Å2.

The structure contains solvent accessible voids along y axis with the nearest distance of 2.915 Å between O3 and its symmetric site. The position (1/2, 0.766, 3/4) of Δρmax peack (1.46 e A−3) is 0.819 Å to Pd1 atom.

Computing details top

Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT-Plus (Bruker, 2001); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 2001); software used to prepare material for publication: SHELXTL.

Figures top
[Figure 1] Fig. 1. The coordination of the Pd atom in the title structure, drawn with 30% probability displacement ellipsoids. Atom O3_I has the symmetry positions: (−x + 1, y, −z − 1/2).
[Figure 2] Fig. 2. A view of the chain structure of the title compound.
[Figure 3] Fig. 3. A view of the packing structure of the title compound.
Poly[[[µ4-4,4'-carbonylbis(benzene-3,4-dicarboxylato)]tetrakis(1,10-\ phenanthroline)dipalladium(II)] dihydrate] top
Crystal data top
[Pd2(C17H6O9)(C12H8N2)4]·2H2OF000 = 2672
Mr = 1323.91Dx = 1.620 Mg m−3
Monoclinic, C2/cMo Kα radiation
λ = 0.71073 Å
Hall symbol: -C 2ycCell parameters from 4924 reflections
a = 24.483 (2) Åθ = 1.8–25.5º
b = 10.0027 (10) ŵ = 0.74 mm−1
c = 23.7133 (15) ÅT = 273 (2) K
β = 110.786 (2)ºBlock, colourless
V = 5429.4 (8) Å30.12 × 0.10 × 0.08 mm
Z = 4
Data collection top
Bruker APEXII CCD area-detector
diffractometer		4924 independent reflections
Radiation source: fine-focus sealed tube3659 reflections with I > 2σ(I)
Monochromator: graphiteRint = 0.042
T = 273(2) Kθmax = 25.5º
φ and ω scansθmin = 1.8º
Absorption correction: multi-scan
(SADABS; Bruker, 2001)		h = −29→29
Tmin = 0.917, Tmax = 0.943k = −12→12
21160 measured reflectionsl = −28→28
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) + (0.053P)2 + 2.9034P]
where P = (Fo2 + 2Fc2)/3
S = 1.00(Δ/σ)max < 0.001
4924 reflectionsΔρmax = 1.46 e Å−3
395 parametersΔρmin = −1.86 e Å−3
4 restraintsExtinction correction: none
Primary atom site location: structure-invariant direct methods
Crystal data top
[Pd2(C17H6O9)(C12H8N2)4]·2H2OV = 5429.4 (8) Å3
Mr = 1323.91Z = 4
Monoclinic, C2/cMo Kα
a = 24.483 (2) ŵ = 0.74 mm−1
b = 10.0027 (10) ÅT = 273 (2) K
c = 23.7133 (15) Å0.12 × 0.10 × 0.08 mm
β = 110.786 (2)º
Data collection top
Bruker APEXII CCD area-detector
diffractometer		4924 independent reflections
Absorption correction: multi-scan
(SADABS; Bruker, 2001)		3659 reflections with I > 2σ(I)
Tmin = 0.917, Tmax = 0.943Rint = 0.042
21160 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0474 restraints
wR(F2) = 0.114H atoms treated by a mixture of
independent and constrained refinement
S = 1.00Δρmax = 1.46 e Å−3
4924 reflectionsΔρmin = −1.86 e Å−3
395 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.

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 > 2σ(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
C10.66566 (15)0.4950 (4)−0.05461 (18)0.0373 (10)
C20.62534 (14)0.4085 (4)−0.10507 (17)0.0343 (9)
C30.56800 (16)0.4503 (5)−0.1303 (2)0.0555 (13)
H30.55610.5266−0.11540.067*
C40.52765 (16)0.3801 (5)−0.1776 (2)0.0590 (14)
H40.48940.4110−0.19420.071*
C50.54343 (16)0.2665 (5)−0.1999 (2)0.0430 (11)
C60.60110 (15)0.2225 (4)−0.17500 (19)0.0370 (10)
H60.61220.1447−0.18950.044*
C70.64201 (14)0.2932 (4)−0.12896 (17)0.0319 (9)
C80.70470 (15)0.2476 (4)−0.10605 (19)0.0357 (9)
C90.64853 (17)0.5203 (5)0.1397 (2)0.0490 (11)
H90.64870.57600.10830.059*
C100.63881 (19)0.5773 (5)0.1897 (2)0.0594 (13)
H100.63150.66840.19030.071*
C110.64011 (19)0.4991 (5)0.2371 (2)0.0594 (13)
H110.63360.53660.27010.071*
C120.65129 (16)0.3610 (5)0.2361 (2)0.0454 (11)
C130.6573 (2)0.2742 (5)0.2862 (2)0.0566 (13)
H130.65140.30770.32020.068*
C140.67135 (19)0.1438 (5)0.2842 (2)0.0544 (12)
H140.67510.08880.31700.065*
C150.68055 (15)0.0892 (5)0.23266 (18)0.0420 (10)
C160.69707 (16)−0.0448 (5)0.2297 (2)0.0486 (11)
H160.7015−0.10290.26170.058*
C170.70654 (16)−0.0889 (5)0.1790 (2)0.0474 (11)
H170.7178−0.17680.17650.057*
C180.69913 (15)−0.0010 (4)0.1317 (2)0.0423 (10)
H180.7058−0.03270.09780.051*
C190.67424 (14)0.1712 (4)0.18226 (18)0.0355 (9)
C200.65990 (14)0.3125 (4)0.18437 (18)0.0364 (9)
C210.52649 (17)0.3400 (5)0.0298 (2)0.0550 (13)
H210.54240.40640.05850.066*
C220.46590 (18)0.3256 (5)0.0063 (2)0.0597 (14)
H220.44190.38090.01890.072*
C230.44262 (17)0.2268 (5)−0.0361 (2)0.0554 (14)
H230.40240.2149−0.05240.066*
C240.47889 (15)0.1454 (5)−0.0545 (2)0.0463 (11)
C250.45739 (17)0.0411 (5)−0.0985 (2)0.0611 (14)
H250.41730.0278−0.11600.073*
C260.49285 (18)−0.0363 (5)−0.1150 (2)0.0596 (14)
H260.4772−0.1010−0.14450.072*
C270.55525 (16)−0.0220 (5)−0.08808 (19)0.0433 (10)
C280.59378 (18)−0.1059 (5)−0.1020 (2)0.0538 (13)
H280.5797−0.1740−0.13010.065*
C290.65242 (17)−0.0878 (5)−0.07395 (19)0.0456 (11)
H290.6790−0.1445−0.08170.055*
C300.67154 (15)0.0188 (4)−0.03310 (18)0.0392 (10)
H300.71160.0321−0.01500.047*
C310.57785 (14)0.0811 (4)−0.04579 (17)0.0338 (9)
C320.53967 (14)0.1670 (4)−0.02838 (18)0.0366 (9)
C330.50000.1896 (8)−0.25000.0489 (17)
N10.68306 (12)0.1255 (3)0.13182 (15)0.0355 (8)
N20.65744 (12)0.3913 (3)0.13563 (16)0.0384 (8)
N30.63681 (11)0.1008 (3)−0.01866 (14)0.0348 (8)
N40.56281 (13)0.2633 (4)0.01335 (18)0.0434 (9)
O10.66798 (11)0.4721 (3)−0.00036 (12)0.0419 (7)
O20.68966 (13)0.5899 (3)−0.06934 (14)0.0556 (8)
O30.73884 (10)0.3048 (3)−0.06008 (12)0.0411 (7)
O40.71905 (11)0.1556 (3)−0.13319 (15)0.0578 (9)
O50.50000.0672 (6)−0.25000.0717 (16)
O60.71087 (16)0.7293 (4)0.0615 (2)0.0735 (11)
Pd10.672614 (10)0.28061 (3)0.051225 (12)0.02952 (12)
H2W0.705 (2)0.661 (3)0.042 (2)0.080*
H1W0.689 (2)0.746 (5)0.080 (2)0.080*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
C10.0348 (18)0.039 (2)0.035 (2)0.0049 (17)0.0085 (15)0.000 (2)
C20.0313 (17)0.041 (2)0.027 (2)0.0024 (16)0.0061 (14)0.0044 (19)
C30.041 (2)0.065 (3)0.051 (3)0.015 (2)0.0039 (18)−0.009 (3)
C40.0332 (19)0.076 (4)0.054 (3)0.016 (2)−0.0017 (18)−0.009 (3)
C50.0329 (18)0.052 (3)0.036 (3)0.0034 (18)0.0027 (16)−0.001 (2)
C60.0360 (18)0.040 (3)0.028 (2)0.0013 (17)0.0027 (15)0.0019 (19)
C70.0287 (16)0.038 (2)0.026 (2)−0.0003 (15)0.0066 (14)0.0017 (18)
C80.0313 (18)0.044 (3)0.030 (2)0.0019 (16)0.0093 (15)0.004 (2)
C90.051 (2)0.037 (3)0.060 (3)0.006 (2)0.020 (2)0.006 (2)
C100.065 (3)0.041 (3)0.074 (4)0.005 (2)0.028 (3)−0.010 (3)
C110.062 (3)0.059 (3)0.064 (3)0.000 (2)0.031 (2)−0.023 (3)
C120.044 (2)0.053 (3)0.043 (3)−0.005 (2)0.0210 (17)−0.012 (2)
C130.071 (3)0.070 (4)0.038 (3)−0.012 (3)0.030 (2)−0.010 (3)
C140.071 (3)0.056 (3)0.040 (3)−0.004 (2)0.025 (2)0.009 (3)
C150.0382 (19)0.052 (3)0.034 (2)−0.0040 (19)0.0118 (16)0.003 (2)
C160.045 (2)0.051 (3)0.049 (3)0.003 (2)0.0149 (19)0.014 (2)
C170.045 (2)0.041 (3)0.056 (3)0.0047 (19)0.0173 (19)0.004 (2)
C180.0406 (19)0.038 (3)0.051 (3)0.0024 (18)0.0193 (17)0.001 (2)
C190.0276 (16)0.046 (3)0.032 (2)−0.0023 (16)0.0108 (14)0.001 (2)
C200.0310 (17)0.046 (3)0.034 (2)−0.0003 (16)0.0139 (15)−0.004 (2)
C210.046 (2)0.056 (3)0.061 (3)0.006 (2)0.017 (2)−0.010 (3)
C220.043 (2)0.063 (3)0.076 (4)0.017 (2)0.025 (2)0.004 (3)
C230.0311 (19)0.065 (3)0.068 (4)0.004 (2)0.015 (2)0.004 (3)
C240.0306 (18)0.055 (3)0.051 (3)0.0002 (19)0.0113 (17)0.006 (2)
C250.0303 (19)0.074 (4)0.071 (3)−0.012 (2)0.008 (2)−0.009 (3)
C260.043 (2)0.068 (4)0.061 (3)−0.018 (2)0.011 (2)−0.023 (3)
C270.042 (2)0.050 (3)0.039 (2)−0.0088 (19)0.0148 (17)−0.004 (2)
C280.051 (2)0.063 (3)0.046 (3)−0.006 (2)0.0155 (19)−0.017 (3)
C290.047 (2)0.050 (3)0.042 (3)0.003 (2)0.0180 (18)−0.007 (2)
C300.0332 (17)0.048 (3)0.036 (2)0.0047 (17)0.0121 (15)0.000 (2)
C310.0310 (17)0.039 (2)0.029 (2)−0.0028 (16)0.0084 (14)0.0035 (19)
C320.0293 (17)0.042 (2)0.037 (2)−0.0041 (17)0.0104 (15)0.005 (2)
C330.033 (3)0.058 (5)0.045 (4)0.0000.002 (2)0.000
N10.0354 (15)0.039 (2)0.0353 (19)0.0023 (14)0.0164 (13)0.0034 (16)
N20.0363 (15)0.037 (2)0.043 (2)0.0006 (14)0.0147 (13)0.0009 (18)
N30.0266 (13)0.042 (2)0.0331 (18)−0.0027 (13)0.0077 (12)−0.0015 (16)
N40.0342 (16)0.048 (2)0.049 (2)0.0040 (15)0.0161 (15)−0.0023 (19)
O10.0530 (15)0.0407 (18)0.0297 (16)0.0017 (13)0.0119 (11)−0.0015 (14)
O20.0666 (18)0.0462 (19)0.053 (2)−0.0146 (16)0.0201 (15)0.0032 (17)
O30.0272 (12)0.059 (2)0.0339 (16)−0.0001 (12)0.0073 (10)−0.0051 (14)
O40.0384 (14)0.064 (2)0.068 (2)0.0075 (15)0.0145 (14)−0.021 (2)
O50.058 (3)0.066 (4)0.067 (4)0.000−0.006 (2)0.000
O60.076 (2)0.074 (3)0.079 (3)−0.004 (2)0.039 (2)−0.033 (2)
Pd10.02651 (15)0.0337 (2)0.02745 (19)0.00278 (11)0.00847 (10)0.00078 (13)
Geometric parameters (Å, °) top
C1—O21.230 (5)C19—C201.461 (6)
C1—O11.288 (5)C20—N21.383 (5)
C1—C21.522 (5)C21—N41.334 (6)
C2—C31.381 (5)C21—C221.395 (6)
C2—C71.407 (5)C21—H210.9300
C3—C41.393 (6)C22—C231.381 (7)
C3—H30.9300C22—H220.9300
C4—C51.366 (6)C23—C241.384 (6)
C4—H40.9300C23—H230.9300
C5—C61.394 (5)C24—C321.411 (5)
C5—C331.496 (5)C24—C251.437 (7)
C6—C71.386 (5)C25—C261.322 (7)
C6—H60.9300C25—H250.9300
C7—C81.506 (5)C26—C271.439 (5)
C8—O41.243 (5)C26—H260.9300
C8—O31.252 (5)C27—C281.387 (6)
C9—N21.318 (5)C27—C311.408 (6)
C9—C101.410 (7)C28—C291.363 (6)
C9—H90.9300C28—H280.9300
C10—C111.361 (7)C29—C301.404 (6)
C10—H100.9300C29—H290.9300
C11—C121.410 (7)C30—N31.312 (5)
C11—H110.9300C30—H300.9300
C12—C201.404 (6)C31—N31.370 (4)
C12—C131.436 (7)C31—C321.434 (6)
C13—C141.354 (7)C32—N41.353 (6)
C13—H130.9300C33—O51.224 (8)
C14—C151.428 (6)C33—C5i1.496 (5)
C14—H140.9300N1—Pd12.404 (3)
C15—C161.409 (6)N2—Pd12.428 (4)
C15—C191.412 (6)N3—Pd12.391 (3)
C16—C171.375 (6)N4—Pd12.520 (3)
C16—H160.9300O1—Pd12.253 (3)
C17—C181.386 (6)O3—Pd1ii2.270 (2)
C17—H170.9300O6—H2W0.81 (3)
C18—N11.326 (5)O6—H1W0.82 (5)
C18—H180.9300Pd1—O3ii2.270 (2)
C19—N11.367 (5)
O2—C1—O1124.4 (4)C21—C22—H22121.0
O2—C1—C2117.2 (4)C22—C23—C24120.3 (4)
O1—C1—C2118.0 (4)C22—C23—H23119.8
C3—C2—C7118.0 (4)C24—C23—H23119.8
C3—C2—C1116.4 (4)C23—C24—C32117.8 (4)
C7—C2—C1125.6 (3)C23—C24—C25123.0 (4)
C2—C3—C4121.2 (4)C32—C24—C25119.2 (4)
C2—C3—H3119.4C26—C25—C24122.0 (4)
C4—C3—H3119.4C26—C25—H25119.0
C5—C4—C3120.9 (4)C24—C25—H25119.0
C5—C4—H4119.5C25—C26—C27121.1 (4)
C3—C4—H4119.5C25—C26—H26119.5
C4—C5—C6118.8 (4)C27—C26—H26119.5
C4—C5—C33121.1 (4)C28—C27—C31118.9 (3)
C6—C5—C33120.1 (4)C28—C27—C26122.6 (4)
C7—C6—C5120.9 (4)C31—C27—C26118.4 (4)
C7—C6—H6119.6C29—C28—C27119.5 (4)
C5—C6—H6119.6C29—C28—H28120.3
C6—C7—C2120.2 (3)C27—C28—H28120.3
C6—C7—C8119.2 (4)C28—C29—C30118.2 (4)
C2—C7—C8120.5 (3)C28—C29—H29120.9
O4—C8—O3124.4 (3)C30—C29—H29120.9
O4—C8—C7118.5 (3)N3—C30—C29124.5 (3)
O3—C8—C7117.1 (4)N3—C30—H30117.7
N2—C9—C10122.6 (5)C29—C30—H30117.7
N2—C9—H9118.7N3—C31—C27121.5 (4)
C10—C9—H9118.7N3—C31—C32117.7 (3)
C11—C10—C9120.1 (5)C27—C31—C32120.8 (3)
C11—C10—H10120.0N4—C32—C24122.2 (4)
C9—C10—H10120.0N4—C32—C31119.4 (3)
C10—C11—C12119.8 (5)C24—C32—C31118.4 (4)
C10—C11—H11120.1O5—C33—C5121.0 (3)
C12—C11—H11120.1O5—C33—C5i121.0 (3)
C20—C12—C11116.3 (4)C5—C33—C5i118.1 (6)
C20—C12—C13120.7 (4)C18—N1—C19117.4 (4)
C11—C12—C13122.8 (5)C18—N1—Pd1124.2 (3)
C14—C13—C12120.4 (4)C19—N1—Pd1118.3 (3)
C14—C13—H13119.8C9—N2—C20117.2 (4)
C12—C13—H13119.8C9—N2—Pd1125.8 (3)
C13—C14—C15121.2 (4)C20—N2—Pd1117.1 (3)
C13—C14—H14119.4C30—N3—C31117.4 (3)
C15—C14—H14119.4C30—N3—Pd1122.6 (2)
C16—C15—C19117.3 (4)C31—N3—Pd1120.0 (3)
C16—C15—C14122.8 (4)C21—N4—C32118.3 (3)
C19—C15—C14119.9 (4)C21—N4—Pd1126.4 (3)
C17—C16—C15119.2 (4)C32—N4—Pd1115.2 (3)
C17—C16—H16120.4C1—O1—Pd1132.1 (3)
C15—C16—H16120.4C8—O3—Pd1ii103.2 (2)
C16—C17—C18119.4 (4)H2W—O6—H1W117 (3)
C16—C17—H17120.3O1—Pd1—O3ii103.45 (10)
C18—C17—H17120.3O1—Pd1—N3109.11 (11)
N1—C18—C17123.8 (4)O3ii—Pd1—N383.34 (10)
N1—C18—H18118.1O1—Pd1—N1161.94 (11)
C17—C18—H18118.1O3ii—Pd1—N181.65 (10)
N1—C19—C15122.8 (4)N3—Pd1—N188.57 (12)
N1—C19—C20117.9 (4)O1—Pd1—N293.84 (11)
C15—C19—C20119.2 (4)O3ii—Pd1—N2121.06 (10)
N2—C20—C12123.9 (4)N3—Pd1—N2142.04 (11)
N2—C20—C19117.5 (4)N1—Pd1—N269.10 (12)
C12—C20—C19118.5 (4)O1—Pd1—N491.32 (11)
N4—C21—C22123.3 (5)O3ii—Pd1—N4150.49 (11)
N4—C21—H21118.4N3—Pd1—N467.60 (11)
C22—C21—H21118.4N1—Pd1—N492.18 (11)
C23—C22—C21118.1 (5)N2—Pd1—N482.48 (11)
C23—C22—H22121.0
Symmetry codes: (i) −x+1, y, −z−1/2; (ii) −x+3/2, −y+1/2, −z.
Hydrogen-bond geometry (Å, °) top
D—H···AD—HH···AD···AD—H···A
O6—H2W···O10.81 (3)2.18 (4)2.964 (5)163 (4)
Table 1
Hydrogen-bond geometry (Å, °) top
D—H···AD—HH···AD···AD—H···A
O6—H2W···O10.81 (3)2.18 (4)2.964 (5)163 (4)
references
References top

Bruker (2001). SADABS, SAINT-Plus and SHELXTL. Bruker AXS Inc., Madison, Wisconsin, USA.

Bruker (2004). APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.

Gao, Y.-X., Wang, L.-B. & Niu, Y.-L. (2007). Acta Cryst. E63, m1844–?.

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