Di-μ-nicotinamide-κO:N;κN:O-bis-[aqua-bis-(4-meth-oxy-benzoato-κO)copper(II)].

The asymmetric unit of the centrosymmetric dinuclear title compound, [Cu(2)(C(8)H(7)O(3))(4)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], contains one half of the complex mol-ecule. Each Cu(II) atom is five-coordinated by one N atom from one bridging nicotinamide ligand and one O atom from another symmetry-related bridging nicotinamide ligand, two O atoms from two 4-meth-oxy-benzoate ligands, and one water mol-ecule, forming a distorted square-pyramidal geometry. Inter-molecular O-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules into layers parallel to (01). π-π inter-actions, indicated by short inter-molecular distances of 3.801 (1) Å between the centroids of the benzene rings and 3.653 (1) Å between the centroids of the pyridine rings, further stabilize the structure.

Related literature

For related structures, see: Hökelek & Necefoğlu (1996 ▶); Hökelek et al. (2009a ▶,b ▶,c ▶,d ▶).

Experimental

Crystal data

[Cu2(C8H7O3)4(C6H6N2O)2(H2O)2]

M = 1011.93

Monoclinic,

a = 14.1707 (3) Å

b = 8.4319 (2) Å

c = 18.0225 (3) Å

β = 95.847 (2)°

V = 2142.23 (8) Å3

Z = 2

Mo Kα radiation

μ = 1.07 mm−1

T = 100 K

0.37 × 0.37 × 0.23 mm

Data collection

Bruker Kappa APEXII CCD area-detector diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2005 ▶) T min = 0.678, T max = 0.781

20329 measured reflections

5403 independent reflections

4813 reflections with I > 2σ(I)

R int = 0.021

Refinement

R[F 2 > 2σ(F 2)] = 0.026

wR(F 2) = 0.072

S = 1.05

5403 reflections

316 parameters

H atoms treated by a mixture of independent and constrained refinement

Δρmax = 0.47 e Å−3

Δρmin = −0.29 e Å−3

Data collection: APEX2 (Bruker, 2007 ▶); cell refinement: SAINT (Bruker, 2007 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: Mercury (Macrae et al., 2006 ▶); software used to prepare material for publication: WinGX (Farrugia, 1999 ▶) and PLATON (Spek, 2009 ▶).

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536810022415/cv2731sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810022415/cv2731Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

[Cu2(C8H7O3)4(C6H6N2O)2(H2O)2]	F(000) = 1044
Mr = 1011.93	Dx = 1.569 Mg m−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 9977 reflections
a = 14.1707 (3) Å	θ = 2.7–28.5°
b = 8.4319 (2) Å	µ = 1.07 mm−1
c = 18.0225 (3) Å	T = 100 K
β = 95.847 (2)°	Block, blue
V = 2142.23 (8) Å3	0.37 × 0.37 × 0.23 mm
Z = 2

Bruker Kappa APEXII CCD area-detector diffractometer	5403 independent reflections
Radiation source: fine-focus sealed tube	4813 reflections with I > 2σ(I)
graphite	Rint = 0.021
φ and ω scans	θmax = 28.5°, θmin = 1.7°
Absorption correction: multi-scan (SADABS; Bruker, 2005)	h = −18→18
Tmin = 0.678, Tmax = 0.781	k = −10→11
20329 measured reflections	l = −24→24

Refinement on F2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.026	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.072	H atoms treated by a mixture of independent and constrained refinement
S = 1.05	w = 1/[σ2(Fo2) + (0.0384P)2 + 1.1134P] where P = (Fo2 + 2Fc2)/3
5403 reflections	(Δ/σ)max = 0.001
316 parameters	Δρmax = 0.47 e Å−3
0 restraints	Δρmin = −0.29 e Å−3

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.

	x	y	z	Uiso*/Ueq
Cu1	0.832076 (11)	0.152692 (19)	0.356751 (8)	0.00986 (6)
O1	0.89942 (7)	0.40998 (13)	0.27780 (5)	0.0155 (2)
O2	0.94951 (7)	0.16598 (12)	0.30792 (5)	0.01368 (19)
O3	1.28693 (8)	0.39532 (15)	0.12796 (7)	0.0251 (2)
O4	0.66614 (8)	0.34649 (13)	0.32513 (6)	0.0181 (2)
O5	0.71138 (7)	0.14541 (12)	0.40038 (5)	0.01317 (19)
O6	0.32798 (7)	0.34252 (13)	0.52920 (6)	0.0170 (2)
O7	1.10015 (7)	0.07805 (12)	0.58526 (5)	0.0153 (2)
O8	0.77027 (8)	0.04960 (14)	0.26669 (6)	0.0167 (2)
H81	0.7200 (18)	0.008 (3)	0.2652 (13)	0.047 (7)*
H82	0.7977 (13)	−0.001 (2)	0.2360 (10)	0.017 (4)*
N1	0.88593 (8)	0.27822 (14)	0.44653 (6)	0.0118 (2)
N2	1.09767 (9)	0.27022 (17)	0.67244 (7)	0.0171 (3)
H2A	1.0823 (15)	0.365 (3)	0.6840 (12)	0.029 (5)*
H2B	1.1375 (14)	0.224 (2)	0.7019 (11)	0.022 (5)*
C1	0.95896 (9)	0.30016 (17)	0.27686 (7)	0.0125 (3)
C2	1.04648 (9)	0.32640 (17)	0.23831 (7)	0.0125 (3)
C3	1.11660 (10)	0.20966 (18)	0.23693 (8)	0.0152 (3)
H3	1.1096	0.1132	0.2608	0.018*
C4	1.19625 (10)	0.23685 (19)	0.20030 (8)	0.0187 (3)
H4	1.2429	0.1594	0.2003	0.022*
C5	1.20666 (10)	0.38071 (19)	0.16333 (8)	0.0173 (3)
C6	1.13758 (10)	0.49779 (18)	0.16412 (8)	0.0166 (3)
H6	1.1442	0.5936	0.1396	0.020*
C7	1.05849 (10)	0.46977 (18)	0.20197 (7)	0.0153 (3)
H7	1.0126	0.5484	0.2031	0.018*
C8	1.29541 (12)	0.5321 (2)	0.08255 (9)	0.0254 (3)
H8A	1.3544	0.5279	0.0607	0.038*
H8B	1.2938	0.6258	0.1126	0.038*
H8C	1.2437	0.5346	0.0437	0.038*
C9	0.65288 (9)	0.25480 (17)	0.37733 (7)	0.0123 (3)
C10	0.56660 (9)	0.27358 (16)	0.41748 (7)	0.0121 (2)
C11	0.55839 (10)	0.19292 (18)	0.48349 (8)	0.0148 (3)
H11	0.6064	0.1240	0.5019	0.018*
C12	0.47980 (10)	0.21312 (18)	0.52268 (8)	0.0159 (3)
H12	0.4753	0.1586	0.5670	0.019*
C13	0.40798 (10)	0.31546 (17)	0.49503 (8)	0.0134 (3)
C14	0.41505 (10)	0.39815 (18)	0.42856 (8)	0.0156 (3)
H14	0.3669	0.4669	0.4102	0.019*
C15	0.49373 (10)	0.37730 (17)	0.39027 (8)	0.0142 (3)
H15	0.4985	0.4324	0.3461	0.017*
C16	0.32415 (10)	0.26991 (19)	0.60087 (8)	0.0190 (3)
H16A	0.2661	0.2992	0.6205	0.028*
H16B	0.3771	0.3052	0.6343	0.028*
H16C	0.3267	0.1567	0.5958	0.028*
C17	0.83872 (10)	0.40389 (17)	0.47003 (8)	0.0152 (3)
H17	0.7874	0.4437	0.4394	0.018*
C18	0.86367 (10)	0.47614 (18)	0.53812 (8)	0.0169 (3)
H18	0.8306	0.5645	0.5524	0.020*
C19	0.93883 (10)	0.41469 (17)	0.58490 (8)	0.0153 (3)
H19	0.9555	0.4591	0.6316	0.018*
C20	0.98863 (9)	0.28598 (16)	0.56074 (7)	0.0114 (2)
C21	0.96065 (9)	0.22322 (16)	0.49060 (7)	0.0117 (2)
H21	0.9953	0.1395	0.4735	0.014*
C22	1.06782 (9)	0.20324 (17)	0.60760 (7)	0.0120 (2)

	U11	U22	U33	U12	U13	U23
Cu1	0.00880 (8)	0.01102 (9)	0.00963 (8)	0.00027 (6)	0.00037 (6)	−0.00144 (6)
O1	0.0127 (4)	0.0164 (5)	0.0175 (5)	0.0029 (4)	0.0014 (4)	−0.0019 (4)
O2	0.0120 (4)	0.0141 (5)	0.0153 (4)	−0.0002 (4)	0.0033 (4)	−0.0005 (4)
O3	0.0202 (5)	0.0259 (6)	0.0315 (6)	−0.0008 (5)	0.0141 (5)	0.0034 (5)
O4	0.0195 (5)	0.0198 (6)	0.0158 (5)	−0.0003 (4)	0.0055 (4)	0.0042 (4)
O5	0.0114 (4)	0.0150 (5)	0.0133 (4)	0.0011 (4)	0.0024 (3)	−0.0006 (4)
O6	0.0133 (5)	0.0200 (5)	0.0183 (5)	0.0049 (4)	0.0049 (4)	0.0030 (4)
O7	0.0165 (5)	0.0120 (5)	0.0168 (5)	0.0028 (4)	−0.0017 (4)	−0.0015 (4)
O8	0.0116 (5)	0.0229 (6)	0.0154 (5)	−0.0010 (4)	0.0013 (4)	−0.0084 (4)
N1	0.0112 (5)	0.0113 (6)	0.0128 (5)	0.0002 (4)	0.0002 (4)	−0.0008 (4)
N2	0.0184 (6)	0.0162 (7)	0.0155 (6)	0.0042 (5)	−0.0048 (5)	−0.0034 (5)
C1	0.0118 (6)	0.0150 (6)	0.0102 (5)	−0.0009 (5)	−0.0017 (5)	−0.0029 (5)
C2	0.0113 (6)	0.0147 (7)	0.0113 (6)	−0.0004 (5)	0.0001 (5)	−0.0018 (5)
C3	0.0154 (6)	0.0133 (7)	0.0171 (6)	0.0007 (5)	0.0025 (5)	0.0006 (5)
C4	0.0154 (6)	0.0186 (7)	0.0224 (7)	0.0039 (6)	0.0042 (5)	0.0005 (6)
C5	0.0139 (6)	0.0213 (7)	0.0172 (6)	−0.0031 (6)	0.0046 (5)	−0.0014 (6)
C6	0.0191 (7)	0.0153 (7)	0.0155 (6)	−0.0014 (5)	0.0025 (5)	0.0012 (5)
C7	0.0156 (6)	0.0156 (7)	0.0147 (6)	0.0013 (5)	0.0010 (5)	−0.0008 (5)
C8	0.0256 (8)	0.0279 (9)	0.0243 (7)	−0.0082 (7)	0.0101 (6)	0.0011 (7)
C9	0.0124 (6)	0.0130 (6)	0.0112 (6)	−0.0021 (5)	0.0001 (5)	−0.0027 (5)
C10	0.0117 (6)	0.0118 (6)	0.0128 (6)	−0.0004 (5)	0.0009 (5)	−0.0007 (5)
C11	0.0139 (6)	0.0156 (7)	0.0149 (6)	0.0048 (5)	0.0021 (5)	0.0026 (5)
C12	0.0175 (7)	0.0165 (7)	0.0141 (6)	0.0036 (5)	0.0037 (5)	0.0038 (5)
C13	0.0117 (6)	0.0136 (7)	0.0153 (6)	0.0005 (5)	0.0028 (5)	−0.0015 (5)
C14	0.0140 (6)	0.0141 (7)	0.0184 (6)	0.0033 (5)	−0.0005 (5)	0.0024 (5)
C15	0.0149 (6)	0.0137 (7)	0.0138 (6)	0.0005 (5)	0.0002 (5)	0.0031 (5)
C16	0.0178 (7)	0.0209 (8)	0.0194 (7)	0.0025 (6)	0.0079 (5)	0.0020 (6)
C17	0.0131 (6)	0.0132 (7)	0.0186 (6)	0.0019 (5)	−0.0024 (5)	−0.0015 (5)
C18	0.0151 (6)	0.0146 (7)	0.0205 (7)	0.0045 (5)	−0.0013 (5)	−0.0051 (5)
C19	0.0146 (6)	0.0155 (7)	0.0153 (6)	0.0000 (5)	−0.0011 (5)	−0.0053 (5)
C20	0.0100 (6)	0.0110 (6)	0.0132 (6)	−0.0010 (5)	0.0006 (5)	0.0001 (5)
C21	0.0106 (6)	0.0111 (6)	0.0136 (6)	−0.0005 (5)	0.0019 (5)	−0.0002 (5)
C22	0.0108 (6)	0.0121 (6)	0.0131 (6)	−0.0005 (5)	0.0006 (5)	0.0018 (5)

Cu1—O2	1.9634 (10)	C6—H6	0.9300
Cu1—O5	1.9548 (10)	C7—H7	0.9300
Cu1—O7i	2.3655 (10)	C8—H8A	0.9600
Cu1—O8	1.9667 (10)	C8—H8B	0.9600
Cu1—N1	2.0171 (11)	C8—H8C	0.9600
O1—C1	1.2540 (17)	C9—C10	1.4912 (18)
O2—C1	1.2754 (17)	C10—C15	1.4030 (19)
O3—C8	1.426 (2)	C11—C10	1.3856 (19)
O4—C9	1.2466 (17)	C11—C12	1.3886 (19)
O5—C9	1.2808 (17)	C11—H11	0.9300
O6—C13	1.3634 (17)	C12—C13	1.3876 (19)
O6—C16	1.4355 (17)	C12—H12	0.9300
O7—Cu1i	2.3655 (10)	C13—C14	1.399 (2)
O8—H81	0.79 (3)	C14—C15	1.381 (2)
O8—H82	0.83 (2)	C14—H14	0.9300
N1—C17	1.3444 (18)	C15—H15	0.9300
N1—C21	1.3401 (17)	C16—H16A	0.9600
N2—C22	1.3278 (18)	C16—H16B	0.9600
N2—H2A	0.86 (2)	C16—H16C	0.9600
N2—H2B	0.83 (2)	C17—H17	0.9300
C1—C2	1.4985 (19)	C18—C17	1.3833 (19)
C2—C7	1.394 (2)	C18—C19	1.3895 (19)
C3—C2	1.4007 (19)	C18—H18	0.9300
C3—C4	1.383 (2)	C19—H19	0.9300
C3—H3	0.9300	C20—C19	1.3886 (19)
C4—H4	0.9300	C20—C21	1.3903 (18)
C5—O3	1.3650 (17)	C21—H21	0.9300
C5—C4	1.399 (2)	C22—O7	1.2345 (17)
C5—C6	1.391 (2)	C22—C20	1.5053 (18)
C6—C7	1.390 (2)
O2—Cu1—O7i	85.44 (4)	H8A—C8—H8B	109.5
O2—Cu1—O8	88.96 (4)	H8A—C8—H8C	109.5
O2—Cu1—N1	93.49 (4)	H8B—C8—H8C	109.5
O5—Cu1—O2	176.73 (4)	O4—C9—O5	123.30 (13)
O5—Cu1—O7i	97.41 (4)	O4—C9—C10	119.63 (12)
O5—Cu1—O8	89.07 (4)	O5—C9—C10	117.05 (12)
O5—Cu1—N1	88.22 (4)	C11—C10—C9	120.61 (12)
O8—Cu1—O7i	97.34 (4)	C11—C10—C15	118.88 (13)
O8—Cu1—N1	173.84 (5)	C15—C10—C9	120.48 (12)
N1—Cu1—O7i	88.50 (4)	C10—C11—C12	121.22 (13)
C1—O2—Cu1	112.27 (9)	C10—C11—H11	119.4
C5—O3—C8	117.64 (13)	C12—C11—H11	119.4
C9—O5—Cu1	114.26 (9)	C11—C12—H12	120.3
C13—O6—C16	116.39 (11)	C13—C12—C11	119.38 (13)
C22—O7—Cu1i	134.96 (9)	C13—C12—H12	120.3
Cu1—O8—H82	125.4 (12)	O6—C13—C12	123.72 (13)
Cu1—O8—H81	123.2 (18)	O6—C13—C14	116.04 (12)
H82—O8—H81	103 (2)	C12—C13—C14	120.24 (13)
C17—N1—Cu1	120.44 (9)	C13—C14—H14	120.1
C21—N1—Cu1	120.36 (9)	C15—C14—C13	119.77 (13)
C21—N1—C17	118.32 (12)	C15—C14—H14	120.1
C22—N2—H2A	122.8 (14)	C10—C15—H15	119.7
C22—N2—H2B	120.0 (14)	C14—C15—C10	120.51 (13)
H2B—N2—H2A	116.8 (19)	C14—C15—H15	119.7
O1—C1—O2	123.25 (13)	O6—C16—H16A	109.5
O1—C1—C2	119.15 (13)	O6—C16—H16B	109.5
O2—C1—C2	117.60 (12)	O6—C16—H16C	109.5
C3—C2—C1	121.78 (13)	H16A—C16—H16B	109.5
C7—C2—C1	119.50 (12)	H16A—C16—H16C	109.5
C7—C2—C3	118.72 (13)	H16B—C16—H16C	109.5
C2—C3—H3	119.8	N1—C17—C18	122.43 (12)
C4—C3—C2	120.44 (14)	N1—C17—H17	118.8
C4—C3—H3	119.8	C18—C17—H17	118.8
C3—C4—C5	120.11 (14)	C17—C18—C19	119.00 (13)
C3—C4—H4	119.9	C17—C18—H18	120.5
C5—C4—H4	119.9	C19—C18—H18	120.5
O3—C5—C4	115.72 (14)	C18—C19—H19	120.5
O3—C5—C6	124.15 (14)	C20—C19—C18	118.94 (12)
C6—C5—C4	120.13 (13)	C20—C19—H19	120.5
C5—C6—H6	120.4	C19—C20—C21	118.40 (12)
C7—C6—C5	119.18 (14)	C19—C20—C22	124.05 (12)
C7—C6—H6	120.4	C21—C20—C22	117.45 (12)
C2—C7—H7	119.3	N1—C21—C20	122.83 (13)
C6—C7—C2	121.41 (13)	N1—C21—H21	118.6
C6—C7—H7	119.3	C20—C21—H21	118.6
O3—C8—H8A	109.5	O7—C22—N2	123.72 (13)
O3—C8—H8B	109.5	O7—C22—C20	119.57 (12)
O3—C8—H8C	109.5	N2—C22—C20	116.69 (12)
O7i—Cu1—O2—C1	−166.69 (9)	C6—C5—O3—C8	−6.9 (2)
O8—Cu1—O2—C1	95.87 (9)	O3—C5—C4—C3	−179.07 (13)
N1—Cu1—O2—C1	−78.48 (9)	C6—C5—C4—C3	0.9 (2)
O7i—Cu1—O5—C9	−177.06 (9)	O3—C5—C6—C7	179.92 (13)
O8—Cu1—O5—C9	−79.78 (9)	C4—C5—C6—C7	0.0 (2)
N1—Cu1—O5—C9	94.69 (9)	C5—C6—C7—C2	−0.8 (2)
O2—Cu1—N1—C17	128.61 (11)	O4—C9—C10—C11	−168.45 (13)
O2—Cu1—N1—C21	−62.33 (11)	O4—C9—C10—C15	9.4 (2)
O5—Cu1—N1—C17	−48.59 (11)	O5—C9—C10—C11	9.80 (19)
O5—Cu1—N1—C21	120.47 (11)	O5—C9—C10—C15	−172.30 (12)
O7i—Cu1—N1—C17	−146.05 (11)	C9—C10—C15—C14	−178.15 (13)
O7i—Cu1—N1—C21	23.01 (10)	C11—C10—C15—C14	−0.2 (2)
Cu1—O2—C1—O1	−0.05 (16)	C12—C11—C10—C9	177.95 (13)
Cu1—O2—C1—C2	179.28 (9)	C12—C11—C10—C15	0.0 (2)
Cu1—O5—C9—O4	8.36 (17)	C10—C11—C12—C13	0.3 (2)
Cu1—O5—C9—C10	−169.82 (9)	C11—C12—C13—O6	179.65 (13)
C16—O6—C13—C12	5.6 (2)	C11—C12—C13—C14	−0.4 (2)
C16—O6—C13—C14	−174.33 (13)	O6—C13—C14—C15	−179.84 (13)
Cu1—N1—C17—C18	168.29 (11)	C12—C13—C14—C15	0.2 (2)
C21—N1—C17—C18	−1.0 (2)	C13—C14—C15—C10	0.1 (2)
Cu1—N1—C21—C20	−166.33 (10)	C19—C18—C17—N1	−1.6 (2)
C17—N1—C21—C20	3.0 (2)	C17—C18—C19—C20	2.2 (2)
O1—C1—C2—C3	178.44 (12)	C21—C20—C19—C18	−0.4 (2)
O1—C1—C2—C7	−2.31 (19)	C22—C20—C19—C18	−176.58 (13)
O2—C1—C2—C3	−0.91 (19)	C19—C20—C21—N1	−2.3 (2)
O2—C1—C2—C7	178.33 (12)	C22—C20—C21—N1	174.18 (12)
C1—C2—C7—C6	−178.58 (12)	O7—C22—C20—C19	170.96 (14)
C3—C2—C7—C6	0.7 (2)	O7—C22—C20—C21	−5.28 (19)
C4—C3—C2—C1	179.42 (13)	N2—C22—O7—Cu1i	29.9 (2)
C4—C3—C2—C7	0.2 (2)	N2—C22—C20—C19	−7.8 (2)
C2—C3—C4—C5	−0.9 (2)	N2—C22—C20—C21	175.94 (13)
C4—C5—O3—C8	173.01 (14)	C20—C22—O7—Cu1i	−148.77 (10)

D—H···A	D—H	H···A	D···A	D—H···A
N2—H2A···O1ii	0.86 (2)	2.03 (2)	2.8407 (18)	158 (2)
N2—H2B···O4iii	0.83 (2)	2.29 (2)	2.9897 (17)	141.4 (18)
O8—H81···O1iv	0.79 (3)	1.97 (3)	2.7236 (15)	159 (3)
O8—H82···O4iv	0.825 (18)	1.803 (18)	2.6052 (16)	163.9 (18)

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N2—H2A⋯O1i	0.86 (2)	2.03 (2)	2.8407 (18)	158 (2)
N2—H2B⋯O4ii	0.83 (2)	2.29 (2)	2.9897 (17)	141.4 (18)
O8—H81⋯O1iii	0.79 (3)	1.97 (3)	2.7236 (15)	159 (3)
O8—H82⋯O4iii	0.825 (18)	1.803 (18)	2.6052 (16)	163.9 (18)

Symmetry codes: (i) ; (ii) ; (iii) .