Bis(1,10-phenanthrolin-1-ium) tetra-chlorido-zincate monohydrate.

In the crystal structure of the title compound, (C12H9N2)2[ZnCl4]·H2O, the two independent 1,10-phenanthrolinium cations are bridged by the water mol-ecule and the tetrahedral tetrachloridozincate anion via N-H⋯O, O-H⋯Cl and N-H⋯Cl hydrogen bonds, forming chains along [100]. The chains are linked via C-H⋯Cl hydrogen bonds and a number of π-π inter-actions [centroid-centroid distances vary from 3.5594 (14) to 3.7057 (13) Å], forming a three-dimensional network. In each 1,10-phenanthrolinium cation, there is a short N-H⋯N inter-action.

Related literature

For an example of the crystal structure of a hybrid compound combining an organic cation and the tetrachloridozincate anion, see: Dong & Liu (2012 ▶). For details of the Cambridge Structural Database, see: Allen (2002 ▶).

Experimental

Crystal data

(C12H9N2)2[ZnCl4]·H2O

M = 587.61

Monoclinic,

a = 14.6046 (5) Å

b = 10.8008 (3) Å

c = 16.3151 (6) Å

β = 107.390 (4)°

V = 2455.93 (14) Å3

Z = 4

Mo Kα radiation

μ = 1.46 mm−1

T = 293 K

0.21 × 0.18 × 0.15 mm

Data collection

Oxford Diffraction Xcalibur diffractometer with Eos detector

Absorption correction: multi-scan (CrysAlis PRO; Oxford Diffraction, 2009 ▶) T min = 0.743, T max = 0.803

10373 measured reflections

4293 independent reflections

3414 reflections with I > 2σ(I)

R int = 0.028

Refinement

R[F 2 > 2σ(F 2)] = 0.031

wR(F 2) = 0.068

S = 1.05

4293 reflections

324 parameters

H atoms treated by a mixture of independent and constrained refinement

Δρmax = 0.38 e Å−3

Δρmin = −0.29 e Å−3

Data collection: CrysAlis CCD (Oxford Diffraction, 2009 ▶); cell refinement: CrysAlis CCD; data reduction: CrysAlis RED (Oxford Diffraction, 2009 ▶); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: ORTEP-3 for Windows (Farrugia, 2012 ▶); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008 ▶) and PLATON (Spek, 2009 ▶).

Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536814000208/su2681sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536814000208/su2681Isup2.hkl

CCDC reference:

Additional supporting information: crystallographic information; 3D view; checkCIF report

(C12H9N2)2[ZnCl4]·H2O	F(000) = 1192
Mr = 587.61	Dx = 1.589 Mg m−3
Monoclinic, P21/a	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yab	Cell parameters from 3414 reflections
a = 14.6046 (5) Å	θ = 3.8–25.0°
b = 10.8008 (3) Å	µ = 1.46 mm−1
c = 16.3151 (6) Å	T = 293 K
β = 107.390 (4)°	Block, colourless
V = 2455.93 (14) Å3	0.21 × 0.18 × 0.15 mm
Z = 4

Oxford Diffraction Xcalibur diffractometer with Eos detector	4293 independent reflections
Radiation source: fine-focus sealed tube	3414 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.028
ω and φ scans	θmax = 25.0°, θmin = 3.8°
Absorption correction: multi-scan (CrysAlis PRO; Oxford Diffraction, 2009)	h = −17→17
Tmin = 0.743, Tmax = 0.803	k = −11→12
10373 measured reflections	l = −19→19

Refinement on F2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.031	H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.068	w = 1/[σ2(Fo2) + (0.0278P)2 + 0.2557P] where P = (Fo2 + 2Fc2)/3
S = 1.05	(Δ/σ)max < 0.001
4293 reflections	Δρmax = 0.38 e Å−3
324 parameters	Δρmin = −0.29 e Å−3
0 restraints	Extinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.0165 (5)

Geometry. Bond distances, angles etc. have been calculated using the rounded fractional coordinates. All su's are estimated from the variances of the (full) variance-covariance matrix. The cell esds are taken into account in the estimation of distances, angles and torsion angles

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
N1	0.05391 (18)	1.17583 (19)	0.56437 (14)	0.0382 (8)
N12	0.13002 (14)	0.97933 (17)	0.66837 (13)	0.0364 (7)
C2	0.0227 (2)	1.2729 (2)	0.51338 (17)	0.0498 (10)
C3	−0.0746 (2)	1.2890 (3)	0.47489 (18)	0.0574 (10)
C4	−0.1379 (2)	1.2056 (3)	0.49016 (18)	0.0533 (11)
C5	−0.10528 (18)	1.1038 (2)	0.54406 (16)	0.0401 (9)
C6	−0.16693 (19)	1.0148 (3)	0.56456 (18)	0.0497 (10)
C7	−0.13202 (18)	0.9219 (3)	0.61895 (18)	0.0475 (10)
C8	−0.03095 (17)	0.9048 (2)	0.65657 (15)	0.0354 (8)
C9	0.0097 (2)	0.8067 (2)	0.71173 (17)	0.0437 (9)
C10	0.1068 (2)	0.7959 (2)	0.74208 (18)	0.0469 (10)
C11	0.16361 (19)	0.8837 (2)	0.71874 (16)	0.0427 (9)
C13	0.03328 (16)	0.9889 (2)	0.63748 (14)	0.0293 (7)
C14	−0.00593 (17)	1.0909 (2)	0.58142 (14)	0.0306 (8)
N15	−0.07856 (15)	0.34171 (18)	0.92218 (13)	0.0339 (7)
N26	0.08664 (14)	0.25794 (18)	1.03725 (13)	0.0378 (7)
C16	−0.15449 (18)	0.3854 (2)	0.86201 (17)	0.0424 (9)
C17	−0.24346 (18)	0.3314 (3)	0.84870 (17)	0.0460 (9)
C18	−0.25201 (17)	0.2333 (2)	0.89907 (17)	0.0428 (9)
C19	−0.17174 (16)	0.1862 (2)	0.96188 (15)	0.0339 (8)
C20	−0.17495 (18)	0.0817 (2)	1.01531 (17)	0.0411 (9)
C21	−0.09527 (18)	0.0398 (2)	1.07310 (16)	0.0407 (9)
C22	−0.00318 (17)	0.0967 (2)	1.08369 (15)	0.0327 (8)
C23	0.08261 (19)	0.0549 (2)	1.14257 (16)	0.0417 (9)
C24	0.16602 (19)	0.1130 (2)	1.14723 (17)	0.0473 (9)
C25	0.16456 (18)	0.2136 (3)	1.09347 (18)	0.0470 (9)
C27	0.00304 (16)	0.1986 (2)	1.03291 (15)	0.0291 (7)
C28	−0.08273 (16)	0.2437 (2)	0.97183 (15)	0.0287 (7)
Zn1	0.02573 (2)	0.43561 (2)	0.73719 (2)	0.0324 (1)
Cl1	−0.11018 (5)	0.52315 (6)	0.64898 (5)	0.0584 (3)
Cl2	0.15128 (4)	0.45542 (6)	0.68453 (4)	0.0445 (2)
Cl3	0.06504 (5)	0.53130 (5)	0.86969 (4)	0.0429 (2)
Cl4	−0.00552 (5)	0.23479 (5)	0.76075 (4)	0.0433 (2)
O1	−0.25358 (17)	0.2883 (3)	0.61679 (19)	0.0609 (9)
H1	0.1064 (18)	1.169 (2)	0.5852 (17)	0.033 (8)*
H2	0.06620	1.32970	0.50370	0.0600*
H3	−0.09690	1.35620	0.43880	0.0690*
H4	−0.20340	1.21660	0.46450	0.0640*
H6	−0.23290	1.02140	0.53950	0.0600*
H7	−0.17430	0.86710	0.63270	0.0570*
H9	−0.02950	0.74930	0.72740	0.0530*
H10	0.13470	0.73060	0.77800	0.0560*
H11	0.22980	0.87460	0.74000	0.0510*
H15	−0.0270 (18)	0.379 (2)	0.9296 (16)	0.040 (8)*
H16	−0.14770	0.45270	0.82870	0.0510*
H17	−0.29670	0.36120	0.80630	0.0550*
H18	−0.31190	0.19750	0.89150	0.0510*
H20	−0.23320	0.04250	1.00970	0.0490*
H21	−0.09940	−0.02770	1.10720	0.0490*
H23	0.08200	−0.01220	1.17810	0.0500*
H24	0.22340	0.08620	1.18570	0.0570*
H25	0.22260	0.25230	1.09750	0.0560*
H1A	−0.217 (3)	0.344 (3)	0.620 (2)	0.083 (15)*
H1B	−0.239 (3)	0.241 (3)	0.650 (2)	0.079 (16)*

	U11	U22	U33	U12	U13	U23
N1	0.0427 (15)	0.0374 (13)	0.0337 (13)	0.0058 (11)	0.0103 (11)	0.0005 (10)
N12	0.0342 (11)	0.0336 (11)	0.0368 (12)	0.0014 (9)	0.0034 (9)	−0.0013 (9)
C2	0.081 (2)	0.0349 (15)	0.0369 (17)	0.0056 (14)	0.0228 (15)	0.0018 (12)
C3	0.087 (2)	0.0461 (17)	0.0368 (17)	0.0339 (17)	0.0149 (16)	0.0047 (13)
C4	0.0546 (18)	0.066 (2)	0.0358 (17)	0.0293 (16)	0.0081 (14)	−0.0022 (14)
C5	0.0395 (15)	0.0489 (15)	0.0312 (15)	0.0145 (12)	0.0096 (12)	−0.0083 (12)
C6	0.0301 (14)	0.0680 (19)	0.0472 (18)	0.0052 (14)	0.0058 (13)	−0.0136 (15)
C7	0.0374 (15)	0.0549 (17)	0.0524 (18)	−0.0112 (13)	0.0168 (13)	−0.0128 (14)
C8	0.0396 (14)	0.0367 (13)	0.0299 (14)	−0.0049 (11)	0.0105 (11)	−0.0108 (11)
C9	0.0582 (18)	0.0342 (14)	0.0405 (16)	−0.0133 (13)	0.0173 (14)	−0.0057 (12)
C10	0.0600 (19)	0.0330 (14)	0.0402 (16)	0.0000 (13)	0.0036 (14)	0.0023 (12)
C11	0.0407 (15)	0.0394 (14)	0.0388 (16)	0.0024 (12)	−0.0019 (12)	−0.0012 (12)
C13	0.0325 (13)	0.0291 (12)	0.0248 (13)	0.0011 (10)	0.0062 (10)	−0.0079 (10)
C14	0.0365 (13)	0.0317 (13)	0.0241 (13)	0.0034 (11)	0.0099 (11)	−0.0065 (10)
N15	0.0305 (12)	0.0374 (12)	0.0362 (13)	0.0010 (10)	0.0138 (10)	0.0036 (10)
N26	0.0319 (11)	0.0453 (12)	0.0355 (13)	−0.0040 (9)	0.0090 (9)	0.0053 (10)
C16	0.0423 (15)	0.0481 (15)	0.0396 (16)	0.0136 (13)	0.0164 (12)	0.0134 (12)
C17	0.0326 (15)	0.0642 (18)	0.0382 (16)	0.0129 (13)	0.0059 (12)	0.0039 (14)
C18	0.0282 (13)	0.0558 (17)	0.0437 (17)	−0.0009 (12)	0.0098 (12)	−0.0058 (13)
C19	0.0320 (13)	0.0379 (13)	0.0340 (15)	−0.0021 (11)	0.0131 (11)	−0.0053 (11)
C20	0.0382 (15)	0.0454 (15)	0.0435 (16)	−0.0125 (12)	0.0180 (13)	−0.0040 (13)
C21	0.0482 (16)	0.0377 (14)	0.0404 (16)	−0.0082 (12)	0.0195 (13)	0.0033 (12)
C22	0.0389 (14)	0.0338 (13)	0.0277 (13)	0.0002 (11)	0.0137 (11)	−0.0008 (11)
C23	0.0520 (17)	0.0420 (15)	0.0316 (15)	0.0045 (13)	0.0133 (12)	0.0067 (12)
C24	0.0388 (15)	0.0594 (17)	0.0373 (16)	0.0056 (13)	0.0015 (12)	0.0101 (14)
C25	0.0305 (14)	0.0625 (18)	0.0444 (17)	−0.0057 (13)	0.0057 (12)	0.0052 (14)
C27	0.0302 (12)	0.0321 (13)	0.0264 (13)	−0.0010 (10)	0.0106 (10)	−0.0030 (10)
C28	0.0336 (13)	0.0285 (12)	0.0267 (13)	−0.0002 (10)	0.0132 (10)	−0.0025 (10)
Zn1	0.0315 (2)	0.0318 (2)	0.0336 (2)	−0.0033 (1)	0.0091 (1)	−0.0023 (1)
Cl1	0.0373 (4)	0.0486 (4)	0.0735 (5)	−0.0010 (3)	−0.0074 (3)	0.0052 (4)
Cl2	0.0409 (4)	0.0505 (4)	0.0470 (4)	−0.0073 (3)	0.0208 (3)	−0.0059 (3)
Cl3	0.0575 (4)	0.0369 (3)	0.0369 (4)	−0.0085 (3)	0.0182 (3)	−0.0086 (3)
Cl4	0.0575 (4)	0.0299 (3)	0.0460 (4)	−0.0072 (3)	0.0210 (3)	−0.0050 (3)
O1	0.0530 (14)	0.0493 (14)	0.083 (2)	0.0033 (13)	0.0242 (13)	0.0021 (14)

Zn1—Cl4	2.2728 (6)	C2—H2	0.9300
Zn1—Cl1	2.2798 (8)	C3—H3	0.9300
Zn1—Cl2	2.2556 (7)	C4—H4	0.9300
Zn1—Cl3	2.3085 (7)	C6—H6	0.9300
O1—H1A	0.80 (4)	C7—H7	0.9300
O1—H1B	0.73 (3)	C9—H9	0.9300
N1—C2	1.331 (3)	C10—H10	0.9300
N1—C14	1.352 (3)	C11—H11	0.9300
N12—C13	1.355 (3)	C16—C17	1.381 (4)
N12—C11	1.320 (3)	C17—C18	1.369 (4)
N1—H1	0.74 (3)	C18—C19	1.402 (3)
N15—C28	1.345 (3)	C19—C20	1.435 (3)
N15—C16	1.329 (3)	C19—C28	1.406 (3)
N26—C25	1.320 (4)	C20—C21	1.339 (4)
N26—C27	1.362 (3)	C21—C22	1.441 (4)
N15—H15	0.83 (3)	C22—C27	1.397 (3)
C2—C3	1.382 (4)	C22—C23	1.406 (4)
C3—C4	1.366 (4)	C23—C24	1.352 (4)
C4—C5	1.400 (4)	C24—C25	1.393 (4)
C5—C6	1.424 (4)	C27—C28	1.433 (3)
C5—C14	1.403 (4)	C16—H16	0.9300
C6—C7	1.336 (4)	C17—H17	0.9300
C7—C8	1.431 (4)	C18—H18	0.9300
C8—C13	1.406 (3)	C20—H20	0.9300
C8—C9	1.402 (3)	C21—H21	0.9300
C9—C10	1.360 (4)	C23—H23	0.9300
C10—C11	1.386 (4)	C24—H24	0.9300
C13—C14	1.437 (3)	C25—H25	0.9300
Cl3—Zn1—Cl4	105.98 (2)	C8—C7—H7	119.00
Cl1—Zn1—Cl4	108.76 (3)	C8—C9—H9	120.00
Cl1—Zn1—Cl2	111.95 (3)	C10—C9—H9	120.00
Cl1—Zn1—Cl3	109.35 (3)	C9—C10—H10	120.00
Cl2—Zn1—Cl3	108.14 (3)	C11—C10—H10	120.00
Cl2—Zn1—Cl4	112.47 (3)	N12—C11—H11	118.00
H1A—O1—H1B	116 (4)	C10—C11—H11	118.00
C2—N1—C14	122.8 (3)	N15—C16—C17	120.3 (2)
C11—N12—C13	116.3 (2)	C16—C17—C18	118.9 (2)
C14—N1—H1	118.7 (18)	C17—C18—C19	120.9 (2)
C2—N1—H1	118.5 (18)	C18—C19—C28	117.8 (2)
C16—N15—C28	123.1 (2)	C18—C19—C20	123.9 (2)
C25—N26—C27	116.0 (2)	C20—C19—C28	118.3 (2)
C28—N15—H15	119.8 (16)	C19—C20—C21	121.0 (2)
C16—N15—H15	117.1 (16)	C20—C21—C22	121.6 (2)
N1—C2—C3	119.8 (3)	C21—C22—C27	119.3 (2)
C2—C3—C4	119.6 (3)	C23—C22—C27	117.1 (2)
C3—C4—C5	120.7 (3)	C21—C22—C23	123.6 (2)
C4—C5—C14	117.7 (2)	C22—C23—C24	119.6 (2)
C4—C5—C6	123.9 (3)	C23—C24—C25	118.9 (2)
C6—C5—C14	118.4 (2)	N26—C25—C24	124.7 (3)
C5—C6—C7	121.4 (3)	C22—C27—C28	118.8 (2)
C6—C7—C8	121.5 (3)	N26—C27—C28	117.4 (2)
C9—C8—C13	116.6 (2)	N26—C27—C22	123.8 (2)
C7—C8—C13	119.5 (2)	C19—C28—C27	121.1 (2)
C7—C8—C9	123.9 (2)	N15—C28—C19	119.0 (2)
C8—C9—C10	119.6 (2)	N15—C28—C27	119.9 (2)
C9—C10—C11	119.1 (2)	N15—C16—H16	120.00
N12—C11—C10	124.4 (3)	C17—C16—H16	120.00
C8—C13—C14	118.1 (2)	C18—C17—H17	121.00
N12—C13—C14	117.9 (2)	C16—C17—H17	121.00
N12—C13—C8	124.0 (2)	C17—C18—H18	120.00
N1—C14—C5	119.4 (2)	C19—C18—H18	120.00
N1—C14—C13	119.5 (2)	C21—C20—H20	120.00
C5—C14—C13	121.1 (2)	C19—C20—H20	120.00
N1—C2—H2	120.00	C20—C21—H21	119.00
C3—C2—H2	120.00	C22—C21—H21	119.00
C4—C3—H3	120.00	C22—C23—H23	120.00
C2—C3—H3	120.00	C24—C23—H23	120.00
C3—C4—H4	120.00	C23—C24—H24	121.00
C5—C4—H4	120.00	C25—C24—H24	121.00
C5—C6—H6	119.00	N26—C25—H25	118.00
C7—C6—H6	119.00	C24—C25—H25	118.00
C6—C7—H7	119.00
C14—N1—C2—C3	−0.6 (4)	C8—C9—C10—C11	1.0 (4)
C2—N1—C14—C13	−179.7 (2)	C9—C10—C11—N12	0.2 (4)
C2—N1—C14—C5	0.3 (4)	C8—C13—C14—C5	−2.4 (3)
C11—N12—C13—C14	−179.1 (2)	N12—C13—C14—C5	177.2 (2)
C11—N12—C13—C8	0.5 (3)	C8—C13—C14—N1	177.6 (2)
C13—N12—C11—C10	−0.9 (4)	N12—C13—C14—N1	−2.7 (3)
C16—N15—C28—C27	177.3 (2)	N15—C16—C17—C18	0.7 (4)
C28—N15—C16—C17	1.0 (4)	C16—C17—C18—C19	−1.4 (4)
C16—N15—C28—C19	−1.9 (3)	C17—C18—C19—C28	0.6 (4)
C25—N26—C27—C28	−179.4 (2)	C17—C18—C19—C20	−178.3 (2)
C25—N26—C27—C22	0.0 (3)	C20—C19—C28—C27	0.8 (3)
C27—N26—C25—C24	−0.3 (4)	C18—C19—C20—C21	178.7 (2)
N1—C2—C3—C4	0.6 (4)	C28—C19—C20—C21	−0.1 (4)
C2—C3—C4—C5	−0.3 (4)	C18—C19—C28—C27	−178.2 (2)
C3—C4—C5—C14	0.0 (4)	C20—C19—C28—N15	180.0 (2)
C3—C4—C5—C6	178.5 (3)	C18—C19—C28—N15	1.1 (3)
C4—C5—C14—N1	0.0 (4)	C19—C20—C21—C22	−0.5 (4)
C4—C5—C6—C7	−177.5 (3)	C20—C21—C22—C23	−179.0 (2)
C14—C5—C6—C7	1.0 (4)	C20—C21—C22—C27	0.5 (4)
C4—C5—C14—C13	−180.0 (2)	C23—C22—C27—N26	0.3 (3)
C6—C5—C14—C13	1.5 (3)	C21—C22—C27—N26	−179.2 (2)
C6—C5—C14—N1	−178.6 (2)	C21—C22—C27—C28	0.2 (3)
C5—C6—C7—C8	−2.4 (4)	C23—C22—C27—C28	179.7 (2)
C6—C7—C8—C9	−177.8 (3)	C21—C22—C23—C24	179.1 (2)
C6—C7—C8—C13	1.4 (4)	C27—C22—C23—C24	−0.5 (3)
C7—C8—C9—C10	177.8 (3)	C22—C23—C24—C25	0.3 (4)
C9—C8—C13—N12	0.6 (3)	C23—C24—C25—N26	0.2 (4)
C7—C8—C13—N12	−178.6 (2)	N26—C27—C28—N15	−0.6 (3)
C9—C8—C13—C14	−179.7 (2)	C22—C27—C28—C19	−0.8 (3)
C7—C8—C13—C14	1.0 (3)	N26—C27—C28—C19	178.6 (2)
C13—C8—C9—C10	−1.4 (4)	C22—C27—C28—N15	−180.0 (2)

D—H···A	D—H	H···A	D···A	D—H···A
N1—H1···O1i	0.74 (3)	2.01 (3)	2.711 (4)	158 (2)
O1—H1A···Cl1	0.80 (4)	2.44 (4)	3.231 (3)	172 (3)
O1—H1B···Cl2ii	0.73 (3)	2.82 (4)	3.317 (3)	128 (4)
N15—H15···Cl3	0.83 (3)	2.50 (2)	3.225 (2)	146 (2)
C3—H3···Cl2iii	0.93	2.80	3.728 (3)	172
C24—H24···Cl2iv	0.93	2.74	3.629 (3)	160
N1—H1···N12	0.74 (3)	2.42 (2)	2.737 (3)	107 (2)
N15—H15···N26	0.83 (3)	2.41 (2)	2.731 (3)	104 (2)

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N1—H1⋯O1i	0.74 (3)	2.01 (3)	2.711 (4)	158 (2)
O1—H1A⋯Cl1	0.80 (4)	2.44 (4)	3.231 (3)	172 (3)
O1—H1B⋯Cl2ii	0.73 (3)	2.82 (4)	3.317 (3)	128 (4)
N15—H15⋯Cl3	0.83 (3)	2.50 (2)	3.225 (2)	146 (2)
C3—H3⋯Cl2iii	0.93	2.80	3.728 (3)	172
C24—H24⋯Cl2iv	0.93	2.74	3.629 (3)	160
N1—H1⋯N12	0.74 (3)	2.42 (2)	2.737 (3)	107 (2)
N15—H15⋯N26	0.83 (3)	2.41 (2)	2.731 (3)	104 (2)

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