Triethyl-ammonium 1,1'-binaphthyl-2,2'-diyl phosphate.

In the crystal structure of the title compound, C(6)H(16)N(+)·C(20)H(12)O(4)P(-), an N-H⋯O inter-action links the cation to the anion. The N atom in the triethyl-ammonium cation exhibits a trigonal-bipyramidal coordination geometry and forms an N-H⋯O inter-action with one phosphate O atom of the 1,1'-binaphthyl-2,2'-diyl phosphate ligand. A bifurcated C-H⋯O inter-action with the other phosphate O atom links molecules along the a axis. The dihedral angle between the two naphthyl ring systems is 58.92 (3)°. The refined Flack parameter value of 0.50 (10) indicates inversion twinning.

Related literature

For the use of binolphospho­ric acid in synthesis, see: Jacques et al. (1971 ▶); Moreau et al., (2009 ▶). For the binaphthyl unit in host compounds, see: Kyba et al. (1977 ▶).

Experimental

Crystal data

C6H16N+·C20H12O4P−

M = 449.46

Orthorhombic,

a = 8.4605 (2) Å

b = 13.3603 (4) Å

c = 20.5688 (7) Å

V = 2324.99 (12) Å3

Z = 4

Mo Kα radiation

μ = 0.15 mm−1

T = 298 K

0.32 × 0.27 × 0.22 mm

Data collection

Bruker APEXII CCD area-detector diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 1999 ▶) T min = 0.953, T max = 0.968

30327 measured reflections

5561 independent reflections

4823 reflections with I > 2σ(I)

R int = 0.028

Refinement

R[F 2 > 2σ(F 2)] = 0.043

wR(F 2) = 0.121

S = 1.04

5561 reflections

297 parameters

H atoms treated by a mixture of independent and constrained refinement

Δρmax = 0.54 e Å−3

Δρmin = −0.31 e Å−3

Absolute structure: Flack (1983 ▶)

Flack parameter: 0.50 (10)

Data collection: APEX2 (Bruker, 2004 ▶); cell refinement: APEX2 and SAINT-Plus (Bruker, 2004 ▶); data reduction: SAINT-Plus and XPREP (Bruker, 2004 ▶); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: ORTEP-3 (Farrugia, 1997 ▶); software used to prepare material for publication: SHELXL97.

Crystal structure: contains datablocks global, I. DOI: 10.1107/S160053681002026X/bq2208sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S160053681002026X/bq2208Isup2.hkl

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

C6H16N+·C20H12O4P−	F(000) = 952
Mr = 449.46	Dx = 1.284 Mg m−3
Orthorhombic, P212121	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2ac 2ab	Cell parameters from 7503 reflections
a = 8.4605 (2) Å	θ = 2.5–27.9°
b = 13.3603 (4) Å	µ = 0.15 mm−1
c = 20.5688 (7) Å	T = 298 K
V = 2324.99 (12) Å3	Block, white
Z = 4	0.32 × 0.27 × 0.22 mm

Bruker APEXII CCD area-detector diffractometer	5561 independent reflections
Radiation source: fine-focus sealed tube	4823 reflections with I > 2σ(I)
graphite	Rint = 0.028
phi and ω scans	θmax = 28.3°, θmin = 2.5°
Absorption correction: multi-scan (SADABS; Bruker, 1999)	h = −10→10
Tmin = 0.953, Tmax = 0.968	k = −17→15
30327 measured reflections	l = −27→27

Refinement on F2	Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full	H atoms treated by a mixture of independent and constrained refinement
R[F2 > 2σ(F2)] = 0.043	w = 1/[σ2(Fo2) + (0.0768P)2 + 0.3083P] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.121	(Δ/σ)max < 0.001
S = 1.04	Δρmax = 0.54 e Å−3
5561 reflections	Δρmin = −0.30 e Å−3
297 parameters	Extinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
0 restraints	Extinction coefficient: 0.000
Primary atom site location: structure-invariant direct methods	Absolute structure: Flack (1983)
Secondary atom site location: difference Fourier map	Flack parameter: 0.50 (10)

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds 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 > 2sigma(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
C1	0.9569 (2)	−0.09228 (15)	0.66118 (9)	0.0337 (4)
C2	1.0264 (3)	−0.18489 (16)	0.67555 (11)	0.0431 (5)
H2	0.9953	−0.2203	0.7123	0.052*
C3	1.1397 (3)	−0.22298 (15)	0.63547 (12)	0.0475 (5)
H3	1.1837	−0.2853	0.6444	0.057*
C4	1.1909 (3)	−0.16849 (15)	0.58042 (10)	0.0423 (5)
C5	1.3154 (3)	−0.2041 (2)	0.54033 (13)	0.0600 (7)
H5	1.3603	−0.2662	0.5489	0.072*
C6	1.3702 (4)	−0.1483 (2)	0.48930 (14)	0.0677 (8)
H6	1.4518	−0.1728	0.4635	0.081*
C7	1.3040 (3)	−0.0549 (2)	0.47599 (11)	0.0546 (6)
H7	1.3435	−0.0165	0.4419	0.065*
C8	1.1824 (3)	−0.01962 (17)	0.51244 (9)	0.0410 (5)
H8	1.1381	0.0421	0.5021	0.049*
C9	1.1211 (2)	−0.07409 (14)	0.56575 (9)	0.0323 (4)
C10	0.9960 (2)	−0.03785 (14)	0.60657 (8)	0.0298 (4)
C11	0.9160 (2)	0.05934 (13)	0.59444 (8)	0.0283 (4)
C12	0.8330 (2)	0.07958 (14)	0.53500 (8)	0.0309 (4)
C13	0.8099 (3)	0.00551 (16)	0.48651 (10)	0.0408 (5)
H13	0.8506	−0.0584	0.4928	0.049*
C14	0.7289 (3)	0.0268 (2)	0.43082 (10)	0.0518 (6)
H14	0.7143	−0.0229	0.3997	0.062*
C15	0.6676 (3)	0.1229 (2)	0.42019 (11)	0.0576 (7)
H15	0.6153	0.1371	0.3815	0.069*
C16	0.6841 (3)	0.19519 (19)	0.46587 (11)	0.0506 (6)
H16	0.6415	0.2583	0.4585	0.061*
C17	0.7658 (3)	0.17582 (15)	0.52499 (9)	0.0368 (4)
C18	0.7767 (3)	0.24789 (15)	0.57516 (10)	0.0432 (5)
H18	0.7358	0.3116	0.5684	0.052*
C19	0.8456 (2)	0.22598 (15)	0.63296 (10)	0.0368 (4)
H19	0.8485	0.2734	0.6660	0.044*
C20	0.9126 (2)	0.13082 (14)	0.64237 (8)	0.0291 (4)
C21	0.4505 (5)	0.0741 (4)	0.64124 (17)	0.1067 (15)
H21A	0.5583	0.0913	0.6504	0.160*
H21B	0.3883	0.1340	0.6381	0.160*
H21C	0.4454	0.0383	0.6008	0.160*
C22	0.3853 (4)	0.0076 (3)	0.69635 (16)	0.0853 (10)
H22A	0.2711	0.0039	0.6928	0.102*
H22B	0.4271	−0.0597	0.6917	0.102*
C23	0.4903 (4)	−0.1247 (2)	0.8033 (2)	0.0832 (10)
H23A	0.5959	−0.1078	0.7903	0.125*
H23B	0.4408	−0.1636	0.7698	0.125*
H23C	0.4936	−0.1629	0.8428	0.125*
C24	0.3995 (4)	−0.0330 (2)	0.81405 (17)	0.0715 (8)
H24A	0.4278	−0.0052	0.8560	0.086*
H24B	0.2879	−0.0494	0.8152	0.086*
C25	0.4079 (4)	0.1960 (3)	0.83499 (17)	0.0788 (9)
H25A	0.5187	0.2078	0.8285	0.118*
H25B	0.3927	0.1586	0.8744	0.118*
H25C	0.3536	0.2589	0.8382	0.118*
C26	0.3437 (3)	0.1379 (3)	0.77885 (19)	0.0791 (9)
H26A	0.2352	0.1200	0.7887	0.095*
H26B	0.3415	0.1816	0.7412	0.095*
N1	0.4281 (2)	0.04695 (16)	0.76106 (11)	0.0490 (5)
O1	0.84192 (17)	−0.05577 (10)	0.70278 (6)	0.0372 (3)
O2	0.98292 (15)	0.11072 (10)	0.70184 (6)	0.0308 (3)
O3	1.01033 (17)	0.00302 (13)	0.79917 (7)	0.0491 (4)
O4	0.74028 (17)	0.08038 (13)	0.77268 (7)	0.0451 (4)
P1	0.89188 (6)	0.03523 (4)	0.75172 (2)	0.03329 (13)
H1N	0.529 (4)	0.0593 (18)	0.7609 (12)	0.044 (7)*

	U11	U22	U33	U12	U13	U23
C1	0.0328 (10)	0.0342 (10)	0.0342 (9)	−0.0053 (8)	−0.0050 (8)	−0.0002 (7)
C2	0.0506 (13)	0.0361 (10)	0.0424 (10)	−0.0078 (10)	−0.0115 (10)	0.0096 (9)
C3	0.0560 (15)	0.0293 (10)	0.0573 (12)	0.0071 (10)	−0.0186 (11)	0.0003 (9)
C4	0.0451 (13)	0.0371 (11)	0.0446 (11)	0.0090 (9)	−0.0150 (10)	−0.0086 (8)
C5	0.0611 (17)	0.0540 (14)	0.0649 (16)	0.0286 (13)	−0.0112 (13)	−0.0187 (12)
C6	0.0567 (18)	0.090 (2)	0.0565 (15)	0.0292 (15)	0.0067 (13)	−0.0209 (14)
C7	0.0493 (14)	0.0724 (17)	0.0421 (12)	0.0084 (12)	0.0076 (10)	−0.0062 (10)
C8	0.0397 (12)	0.0492 (12)	0.0341 (9)	0.0076 (9)	0.0003 (8)	−0.0012 (8)
C9	0.0336 (10)	0.0330 (9)	0.0303 (8)	0.0042 (8)	−0.0060 (7)	−0.0057 (7)
C10	0.0314 (10)	0.0295 (8)	0.0285 (8)	−0.0011 (8)	−0.0059 (7)	−0.0013 (7)
C11	0.0272 (9)	0.0312 (9)	0.0266 (8)	0.0016 (7)	0.0007 (7)	−0.0001 (6)
C12	0.0300 (10)	0.0345 (9)	0.0281 (8)	0.0037 (8)	−0.0001 (7)	−0.0002 (7)
C13	0.0452 (13)	0.0416 (11)	0.0355 (10)	0.0086 (9)	−0.0082 (9)	−0.0055 (8)
C14	0.0579 (15)	0.0613 (14)	0.0363 (10)	0.0111 (12)	−0.0154 (10)	−0.0122 (10)
C15	0.0617 (16)	0.0760 (17)	0.0351 (11)	0.0244 (14)	−0.0169 (11)	−0.0014 (11)
C16	0.0550 (15)	0.0526 (13)	0.0443 (12)	0.0177 (11)	−0.0136 (11)	0.0031 (10)
C17	0.0364 (11)	0.0393 (10)	0.0347 (9)	0.0072 (9)	−0.0023 (8)	0.0025 (8)
C18	0.0501 (13)	0.0339 (10)	0.0456 (11)	0.0124 (9)	0.0008 (10)	0.0005 (8)
C19	0.0387 (11)	0.0341 (9)	0.0375 (9)	0.0034 (8)	0.0028 (8)	−0.0092 (8)
C20	0.0251 (9)	0.0348 (9)	0.0275 (8)	−0.0043 (7)	0.0019 (7)	−0.0002 (7)
C21	0.106 (3)	0.148 (4)	0.066 (2)	−0.055 (3)	−0.031 (2)	0.016 (2)
C22	0.0621 (19)	0.124 (3)	0.0700 (19)	−0.028 (2)	−0.0083 (16)	−0.0116 (19)
C23	0.066 (2)	0.0684 (19)	0.115 (3)	−0.0038 (17)	0.019 (2)	0.0201 (19)
C24	0.0518 (16)	0.081 (2)	0.0814 (19)	−0.0096 (16)	0.0100 (15)	0.0077 (16)
C25	0.067 (2)	0.080 (2)	0.090 (2)	−0.0061 (17)	0.0116 (18)	−0.0214 (18)
C26	0.0399 (14)	0.0747 (19)	0.123 (3)	−0.0043 (14)	−0.0115 (17)	−0.0150 (19)
N1	0.0287 (10)	0.0563 (11)	0.0620 (12)	−0.0120 (8)	−0.0041 (8)	−0.0065 (9)
O1	0.0352 (7)	0.0421 (8)	0.0344 (7)	−0.0118 (6)	0.0018 (6)	0.0011 (5)
O2	0.0270 (7)	0.0402 (7)	0.0253 (6)	−0.0071 (6)	−0.0016 (5)	−0.0022 (5)
O3	0.0333 (8)	0.0790 (11)	0.0349 (7)	−0.0104 (8)	−0.0052 (6)	0.0127 (7)
O4	0.0269 (7)	0.0676 (10)	0.0408 (7)	−0.0058 (7)	0.0043 (6)	−0.0114 (7)
P1	0.0237 (2)	0.0516 (3)	0.0245 (2)	−0.0080 (2)	0.00039 (18)	−0.0002 (2)

C1—C10	1.378 (3)	C18—C19	1.356 (3)
C1—O1	1.385 (2)	C18—H18	0.9300
C1—C2	1.401 (3)	C19—C20	1.405 (3)
C2—C3	1.363 (4)	C19—H19	0.9300
C2—H2	0.9300	C20—O2	1.386 (2)
C3—C4	1.414 (3)	C21—C22	1.542 (5)
C3—H3	0.9300	C21—H21A	0.9600
C4—C5	1.419 (3)	C21—H21B	0.9600
C4—C9	1.425 (3)	C21—H21C	0.9600
C5—C6	1.368 (4)	C22—N1	1.476 (4)
C5—H5	0.9300	C22—H22A	0.9700
C6—C7	1.396 (4)	C22—H22B	0.9700
C6—H6	0.9300	C23—C24	1.463 (4)
C7—C8	1.358 (3)	C23—H23A	0.9600
C7—H7	0.9300	C23—H23B	0.9600
C8—C9	1.415 (3)	C23—H23C	0.9600
C8—H8	0.9300	C24—N1	1.545 (4)
C9—C10	1.435 (3)	C24—H24A	0.9700
C10—C11	1.485 (3)	C24—H24B	0.9700
C11—C20	1.373 (2)	C25—C26	1.494 (4)
C11—C12	1.436 (2)	C25—H25A	0.9600
C12—C13	1.418 (3)	C25—H25B	0.9600
C12—C17	1.421 (3)	C25—H25C	0.9600
C13—C14	1.365 (3)	C26—N1	1.456 (4)
C13—H13	0.9300	C26—H26A	0.9700
C14—C15	1.402 (3)	C26—H26B	0.9700
C14—H14	0.9300	N1—H1N	0.87 (3)
C15—C16	1.355 (3)	O1—P1	1.6340 (14)
C15—H15	0.9300	O2—P1	1.6319 (13)
C16—C17	1.422 (3)	O3—P1	1.4636 (15)
C16—H16	0.9300	O4—P1	1.4815 (16)
C17—C18	1.414 (3)
C10—C1—O1	119.10 (18)	C18—C19—H19	120.3
C10—C1—C2	122.5 (2)	C20—C19—H19	120.3
O1—C1—C2	118.39 (18)	C11—C20—O2	119.33 (16)
C3—C2—C1	119.8 (2)	C11—C20—C19	122.59 (17)
C3—C2—H2	120.1	O2—C20—C19	118.03 (16)
C1—C2—H2	120.1	C22—C21—H21A	109.5
C2—C3—C4	120.50 (19)	C22—C21—H21B	109.5
C2—C3—H3	119.7	H21A—C21—H21B	109.5
C4—C3—H3	119.7	C22—C21—H21C	109.5
C3—C4—C5	121.3 (2)	H21A—C21—H21C	109.5
C3—C4—C9	119.9 (2)	H21B—C21—H21C	109.5
C5—C4—C9	118.8 (2)	N1—C22—C21	111.7 (3)
C6—C5—C4	121.0 (2)	N1—C22—H22A	109.3
C6—C5—H5	119.5	C21—C22—H22A	109.3
C4—C5—H5	119.5	N1—C22—H22B	109.3
C5—C6—C7	120.1 (2)	C21—C22—H22B	109.3
C5—C6—H6	120.0	H22A—C22—H22B	107.9
C7—C6—H6	120.0	C24—C23—H23A	109.5
C8—C7—C6	120.4 (3)	C24—C23—H23B	109.5
C8—C7—H7	119.8	H23A—C23—H23B	109.5
C6—C7—H7	119.8	C24—C23—H23C	109.5
C7—C8—C9	121.8 (2)	H23A—C23—H23C	109.5
C7—C8—H8	119.1	H23B—C23—H23C	109.5
C9—C8—H8	119.1	C23—C24—N1	113.0 (2)
C8—C9—C4	117.86 (19)	C23—C24—H24A	109.0
C8—C9—C10	123.39 (17)	N1—C24—H24A	109.0
C4—C9—C10	118.73 (18)	C23—C24—H24B	109.0
C1—C10—C9	118.40 (17)	N1—C24—H24B	109.0
C1—C10—C11	119.26 (17)	H24A—C24—H24B	107.8
C9—C10—C11	122.20 (16)	C26—C25—H25A	109.5
C20—C11—C12	118.06 (16)	C26—C25—H25B	109.5
C20—C11—C10	119.80 (15)	H25A—C25—H25B	109.5
C12—C11—C10	122.05 (16)	C26—C25—H25C	109.5
C13—C12—C17	118.33 (17)	H25A—C25—H25C	109.5
C13—C12—C11	122.32 (17)	H25B—C25—H25C	109.5
C17—C12—C11	119.31 (17)	N1—C26—C25	116.7 (3)
C14—C13—C12	120.9 (2)	N1—C26—H26A	108.1
C14—C13—H13	119.5	C25—C26—H26A	108.1
C12—C13—H13	119.5	N1—C26—H26B	108.1
C13—C14—C15	120.5 (2)	C25—C26—H26B	108.1
C13—C14—H14	119.8	H26A—C26—H26B	107.3
C15—C14—H14	119.8	C26—N1—C22	113.8 (3)
C16—C15—C14	120.4 (2)	C26—N1—C24	108.8 (2)
C16—C15—H15	119.8	C22—N1—C24	110.6 (2)
C14—C15—H15	119.8	C26—N1—H1N	108.9 (16)
C15—C16—C17	120.9 (2)	C22—N1—H1N	107.8 (17)
C15—C16—H16	119.6	C24—N1—H1N	106.7 (16)
C17—C16—H16	119.6	C1—O1—P1	117.46 (12)
C18—C17—C12	118.96 (17)	C20—O2—P1	118.16 (11)
C18—C17—C16	122.1 (2)	O3—P1—O4	121.23 (9)
C12—C17—C16	118.87 (19)	O3—P1—O2	106.13 (8)
C19—C18—C17	121.39 (18)	O4—P1—O2	109.87 (9)
C19—C18—H18	119.3	O3—P1—O1	111.67 (9)
C17—C18—H18	119.3	O4—P1—O1	104.96 (8)
C18—C19—C20	119.30 (18)	O2—P1—O1	101.22 (7)
C10—C1—C2—C3	1.5 (3)	C12—C13—C14—C15	0.5 (4)
O1—C1—C2—C3	179.86 (19)	C13—C14—C15—C16	−1.8 (4)
C1—C2—C3—C4	1.8 (3)	C14—C15—C16—C17	1.0 (4)
C2—C3—C4—C5	176.2 (2)	C13—C12—C17—C18	174.9 (2)
C2—C3—C4—C9	−1.5 (3)	C11—C12—C17—C18	−2.7 (3)
C3—C4—C5—C6	−176.3 (2)	C13—C12—C17—C16	−2.6 (3)
C9—C4—C5—C6	1.4 (4)	C11—C12—C17—C16	179.8 (2)
C4—C5—C6—C7	0.1 (4)	C15—C16—C17—C18	−176.1 (3)
C5—C6—C7—C8	−1.6 (4)	C15—C16—C17—C12	1.3 (4)
C6—C7—C8—C9	1.7 (4)	C12—C17—C18—C19	−2.0 (3)
C7—C8—C9—C4	−0.2 (3)	C16—C17—C18—C19	175.4 (2)
C7—C8—C9—C10	178.0 (2)	C17—C18—C19—C20	2.3 (3)
C3—C4—C9—C8	176.4 (2)	C12—C11—C20—O2	175.82 (16)
C5—C4—C9—C8	−1.3 (3)	C10—C11—C20—O2	−0.6 (3)
C3—C4—C9—C10	−1.9 (3)	C12—C11—C20—C19	−6.7 (3)
C5—C4—C9—C10	−179.6 (2)	C10—C11—C20—C19	176.85 (18)
O1—C1—C10—C9	176.82 (16)	C18—C19—C20—C11	2.2 (3)
C2—C1—C10—C9	−4.8 (3)	C18—C19—C20—O2	179.68 (19)
O1—C1—C10—C11	1.1 (3)	C25—C26—N1—C22	−165.1 (3)
C2—C1—C10—C11	179.47 (18)	C25—C26—N1—C24	71.1 (3)
C8—C9—C10—C1	−173.24 (18)	C21—C22—N1—C26	71.5 (4)
C4—C9—C10—C1	4.9 (3)	C21—C22—N1—C24	−165.7 (3)
C8—C9—C10—C11	2.3 (3)	C23—C24—N1—C26	−175.3 (3)
C4—C9—C10—C11	−179.53 (17)	C23—C24—N1—C22	59.1 (4)
C1—C10—C11—C20	52.0 (3)	C10—C1—O1—P1	−76.8 (2)
C9—C10—C11—C20	−123.5 (2)	C2—C1—O1—P1	104.78 (18)
C1—C10—C11—C12	−124.3 (2)	C11—C20—O2—P1	−74.93 (19)
C9—C10—C11—C12	60.2 (3)	C19—C20—O2—P1	107.47 (18)
C20—C11—C12—C13	−170.67 (19)	C20—O2—P1—O3	162.56 (13)
C10—C11—C12—C13	5.7 (3)	C20—O2—P1—O4	−64.72 (14)
C20—C11—C12—C17	6.8 (3)	C20—O2—P1—O1	45.86 (14)
C10—C11—C12—C17	−176.80 (18)	C1—O1—P1—O3	−65.43 (15)
C17—C12—C13—C14	1.7 (3)	C1—O1—P1—O4	161.44 (14)
C11—C12—C13—C14	179.3 (2)	C1—O1—P1—O2	47.12 (14)

D—H···A	D—H	H···A	D···A	D—H···A
N1—H1N···O4	0.87 (3)	1.83 (3)	2.689 (2)	172 (2)
C24—H24B···O3i	0.97	2.47	3.342 (4)	149
C26—H26A···O3i	0.97	2.47	3.373 (3)	155

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N1—H1N⋯O4	0.87 (3)	1.83 (3)	2.689 (2)	172 (2)
C24—H24B⋯O3i	0.97	2.47	3.342 (4)	149
C26—H26A⋯O3i	0.97	2.47	3.373 (3)	155

Symmetry code: (i) .