Bis­[μ-bis­(di­phenyl­phosphino)­methane-κ²P:P′]­bis­[diaceto­nitrile­copper(I)] bis­(hexa­fluoro­phosphate)

The title compound, [Cu₂(μ₂-dppm)₂(MeCN)₄](PF₆)₂ or [Cu₂(C₂₅H₂₂P₂)₂(C₂H₃N)₄](PF₆)₂, crystallizes in the monoclinic space group C2/c, with the cation on a twofold axis. The Cu centers are four-coordinated, exhibiting pseudo-tetrahedral coordination.

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean [sigma](C-C) = 0.011 Å
• R factor = 0.068
• wR factor = 0.169
• Data-to-parameter ratio = 14.3

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry

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S1. Comment

The diphosphine bis(diphenylphosphino)methane (dppm) is widely used to design coinage metal complexes due to its good bridging properties (Diez et al., 1987). The binuclear compounds [M₂(µ₂-dppm)₂] usually display eight-membered rings (Yang et al., 1997), such as [Au₂(µ₂-dppm)₂][Au(GeCl₃)₂]₂ (Bauer et al., 1997), [Ag₂(µ₂-dppm)₂](ClO₄)₂ (Ahrens & Jones, 1998) and [Cu₂(µ₂-dppm)₂(MeCN)₄](ClO₄)₂ (Diez et al., 1997). This paper describes the crystal structure of a copper-based system with PF₆⁻ as the anion, (I).

The complex consists of the dication [Cu₂(µ₂-dppm)₂(MeCN)₄]²⁺, situated about a twofold axis, and two PF₆⁻ anions. A perspective drawing of the complex with the atomic numbering scheme is depicted in Fig. 1. Selected bond lengths and angles are presented in Table 1. The two Cu atoms are doubly bridged by dppm ligands to give an eight-membered ring, [M₂(µ₂-dppm)₂]. The Cu centers adopt a distorted tetrahedral geometry in which the four coordination sites around the copper are occupied by two P atoms of dppm and two N atoms from acetonitrile. The Cu—Cu distance of 3.756 Å, which is longer than that in [Cu₂(µ₂-dppm)₂(MeCN)₄](ClO₄)₂, may be due to the Cu–anion interaction. The Cu—P distances are 2.2730 (14) and 2.2859 (15) Å, which are close to those in the above-mentioned compound. The acetonitrile ligands, on the other hand, are quite different, with one being nearly linear [C1—N1—Cu1 = 171.8 (6)°] and the other bent [C3—N2—Cu1 = 157.5 (6)°). The corresponding Cu—N bond lengths are also different, with N1—Cu1 [2.031 (5) Å] being shorter than N2—Cu1 [2.172 (5) Å].

S2. Experimental

A mixture of [Cu(MeCN)₄](PF₆)₂ (Shriver, 1979) and dppm in 1:1 ratio in dichloromethane was stirred under inert atmosphere at room temperature overnight. Concentration of the solution and addition of diethyl ether resulted in the precipitation of an off-white solid. Well shaped colorless crystals suitable for X-ray diffraction measurement were grown by slow diffusion of diethyl ether into acetonitrile at room temperature.

S3. Refinement

The positions of the H atoms were genetared geometrically (C—H = 0.96 Å), assigned isotropic displacement parameters and allowed to ride on their respective parent C atoms before the final cycle of least-squares refinement.

Computing details

Data collection: SMART (Siemens, 1996); cell refinement: SMART and SAINT (Siemens, 1994); data reduction: XPREP in SHELXTL (Siemens, 1994); program(s) used to solve structure: SHELXTL; program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Figures

Fig. 1. A view of the title complex with the atomic numbering scheme. Displacement ellipsoids are drawn at the 30% probability level.

Bis[µ-bis(diphenylphosphino)methane-K²P:P']bis[diacetonitrilecopper(I)] bis(hexafluorophosphate)

Crystal data

[Cu2(C25H22P2)2(C2H3N)4](PF6)2	F(000) = 2752
Mr = 1349.97	Dx = 1.476 Mg m^−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2yc	Cell parameters from 4793 reflections
a = 22.5125 (3) Å	θ = 1.8–25.0°
b = 13.1916 (2) Å	µ = 0.94 mm^−1
c = 21.6096 (3) Å	T = 293 K
β = 108.748 (1)°	Block, colorless
V = 6077.02 (15) Å^3	0.60 × 0.56 × 0.56 mm
Z = 4

Data collection

Siemens SMART 1K CCD diffractometer	5273 independent reflections
Radiation source: fine-focus sealed tube	4180 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.025
ω scans	θmax = 25.0°, θmin = 1.8°
Absorption correction: empirical (using intensity measurements) (SADABS; Sheldrick, 1996)	h = −26→23
Tmin = 0.561, Tmax = 0.592	k = −15→13
8897 measured reflections	l = −10→25

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.068	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.169	H-atom parameters constrained
S = 1.23	w = 1/[σ^2(Fo^2) + (0.0384P)^2 + 40.8701P] where P = (Fo^2 + 2Fc^2)/3
5273 reflections	(Δ/σ)max < 0.001
368 parameters	Δρmax = 0.55 e Å^−3
0 restraints	Δρmin = −0.66 e Å^−3

Special details

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Cu1	0.44474 (3)	0.64257 (5)	0.79918 (3)	0.0433 (2)
P1	0.38179 (6)	0.70275 (11)	0.70157 (6)	0.0372 (3)
P2	0.51986 (6)	0.74477 (11)	0.86682 (6)	0.0369 (3)
P3	0.12445 (10)	0.37859 (16)	0.37166 (10)	0.0678 (5)
F1	0.0778 (4)	0.4279 (7)	0.3144 (4)	0.192 (4)
F2	0.1679 (5)	0.3197 (6)	0.4271 (4)	0.195 (4)
F3	0.1111 (4)	0.2824 (8)	0.3281 (4)	0.195 (4)
F4	0.0766 (5)	0.3449 (8)	0.4021 (5)	0.215 (5)
F5	0.1805 (4)	0.3977 (7)	0.3503 (5)	0.205 (4)
F6	0.1347 (4)	0.4777 (5)	0.4096 (4)	0.151 (2)
N1	0.4595 (2)	0.4906 (4)	0.8079 (2)	0.0552 (13)
N2	0.3827 (3)	0.6485 (4)	0.8580 (3)	0.0595 (14)
C1	0.4631 (3)	0.4063 (5)	0.8172 (3)	0.0591 (16)
C01	0.5831 (2)	0.7964 (4)	0.8396 (3)	0.0382 (12)
H01A	0.6156	0.8233	0.8772	0.046*
H01B	0.5665	0.8523	0.8098	0.046*
C2	0.4661 (6)	0.2965 (6)	0.8286 (7)	0.107 (3)
HC2A	0.5044	0.2800	0.8625	0.19 (6)*
HC2B	0.4648	0.2619	0.7891	0.19 (6)*
HC2C	0.4310	0.2757	0.8417	0.22 (7)*
C3	0.3533 (3)	0.6836 (6)	0.8851 (3)	0.0654 (18)
C4	0.3146 (5)	0.7325 (8)	0.9196 (5)	0.108 (3)*
H4A	0.3287	0.7120	0.9646	0.162*
H4B	0.2716	0.7127	0.8998	0.162*
H4C	0.3181	0.8047	0.9169	0.162*
C111	0.3414 (3)	0.6132 (4)	0.6372 (3)	0.0443 (13)
C112	0.3575 (3)	0.5117 (5)	0.6433 (3)	0.0554 (15)
H11A	0.3900	0.4894	0.6794	0.066*
C113	0.3253 (4)	0.4426 (6)	0.5957 (4)	0.077 (2)
H11C	0.3368	0.3746	0.5997	0.092*
C114	0.2765 (4)	0.4746 (7)	0.5429 (4)	0.078 (2)
H11D	0.2539	0.4280	0.5120	0.093*
C115	0.2611 (3)	0.5749 (6)	0.5356 (3)	0.075 (2)
H11E	0.2288	0.5965	0.4990	0.090*
C116	0.2931 (3)	0.6445 (5)	0.5822 (3)	0.0623 (17)
H11B	0.2822	0.7127	0.5768	0.075*
C121	0.3159 (3)	0.7721 (5)	0.7137 (3)	0.0454 (13)
C122	0.3127 (3)	0.8763 (6)	0.7142 (4)	0.072 (2)
H12B	0.3434	0.9147	0.7048	0.087*
C123	0.2636 (4)	0.9246 (8)	0.7287 (5)	0.103 (3)
H12E	0.2611	0.9949	0.7281	0.123*
C124	0.2189 (4)	0.8675 (10)	0.7439 (4)	0.101 (4)
H12C	0.1872	0.8997	0.7555	0.122*
C125	0.2207 (4)	0.7638 (10)	0.7420 (4)	0.095 (3)
H12D	0.1896	0.7256	0.7509	0.114*
C126	0.2687 (3)	0.7165 (6)	0.7268 (3)	0.0671 (19)
H12A	0.2697	0.6461	0.7253	0.080*
C211	0.5619 (2)	0.6938 (4)	0.9477 (2)	0.0430 (13)
C212	0.6053 (3)	0.7506 (6)	0.9957 (3)	0.0611 (17)
H21D	0.6124	0.8181	0.9879	0.073*
C213	0.6377 (3)	0.7063 (7)	1.0550 (3)	0.073 (2)
H21B	0.6664	0.7447	1.0870	0.088*
C214	0.6282 (4)	0.6065 (7)	1.0673 (3)	0.080 (2)
H21C	0.6505	0.5776	1.1073	0.097*
C215	0.5858 (4)	0.5499 (6)	1.0206 (3)	0.081 (2)
H21E	0.5790	0.4824	1.0287	0.097*
C216	0.5526 (3)	0.5936 (5)	0.9608 (3)	0.0616 (17)
H21A	0.5239	0.5547	0.9292	0.074*
C221	0.4813 (2)	0.8582 (4)	0.8845 (3)	0.0425 (12)
C222	0.4621 (3)	0.9350 (5)	0.8384 (3)	0.0555 (15)
H22A	0.4744	0.9328	0.8012	0.067*
C223	0.4252 (4)	1.0146 (5)	0.8464 (4)	0.077 (2)
H22E	0.4128	1.0651	0.8148	0.093*
C224	0.4072 (4)	1.0188 (6)	0.9006 (4)	0.083 (2)
H22D	0.3818	1.0715	0.9057	0.100*
C225	0.4263 (4)	0.9457 (7)	0.9479 (4)	0.083 (2)
H22C	0.4149	0.9502	0.9855	0.100*
C226	0.4628 (3)	0.8647 (6)	0.9401 (3)	0.0641 (18)
H22B	0.4750	0.8147	0.9720	0.077*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cu1	0.0446 (4)	0.0405 (4)	0.0385 (4)	−0.0039 (3)	0.0046 (3)	0.0024 (3)
P1	0.0368 (7)	0.0385 (7)	0.0346 (7)	−0.0011 (6)	0.0088 (6)	0.0013 (6)
P2	0.0394 (7)	0.0386 (7)	0.0321 (6)	−0.0028 (6)	0.0107 (6)	−0.0020 (6)
P3	0.0643 (12)	0.0669 (12)	0.0676 (12)	0.0085 (9)	0.0150 (10)	0.0060 (10)
F1	0.179 (7)	0.235 (9)	0.130 (6)	0.069 (7)	0.004 (5)	0.009 (6)
F2	0.240 (10)	0.138 (6)	0.164 (7)	0.016 (6)	0.006 (7)	0.005 (5)
F3	0.197 (8)	0.225 (9)	0.155 (7)	0.013 (7)	0.044 (6)	−0.047 (7)
F4	0.229 (10)	0.259 (11)	0.186 (8)	−0.120 (9)	0.107 (8)	−0.081 (8)
F5	0.175 (8)	0.182 (8)	0.292 (12)	0.025 (7)	0.122 (8)	0.024 (8)
F6	0.193 (7)	0.096 (4)	0.156 (6)	0.003 (4)	0.046 (5)	−0.005 (4)
N1	0.058 (3)	0.047 (3)	0.052 (3)	−0.001 (2)	0.006 (2)	0.004 (2)
N2	0.052 (3)	0.079 (4)	0.047 (3)	−0.006 (3)	0.016 (3)	0.012 (3)
C1	0.061 (4)	0.050 (4)	0.063 (4)	0.009 (3)	0.016 (3)	0.007 (3)
C01	0.043 (3)	0.029 (3)	0.041 (3)	0.000 (2)	0.011 (2)	−0.003 (2)
C2	0.125 (9)	0.053 (5)	0.155 (10)	0.019 (5)	0.061 (8)	0.027 (6)
C3	0.055 (4)	0.092 (5)	0.055 (4)	−0.007 (4)	0.025 (3)	0.007 (4)
C111	0.044 (3)	0.047 (3)	0.040 (3)	−0.008 (3)	0.010 (2)	−0.003 (2)
C112	0.068 (4)	0.044 (3)	0.051 (3)	−0.006 (3)	0.014 (3)	−0.002 (3)
C113	0.102 (6)	0.050 (4)	0.077 (5)	−0.013 (4)	0.028 (5)	−0.015 (4)
C114	0.077 (5)	0.087 (6)	0.062 (4)	−0.029 (4)	0.014 (4)	−0.025 (4)
C115	0.059 (4)	0.089 (6)	0.061 (4)	−0.007 (4)	−0.004 (3)	−0.010 (4)
C116	0.063 (4)	0.055 (4)	0.056 (4)	0.003 (3)	0.001 (3)	−0.005 (3)
C121	0.039 (3)	0.062 (4)	0.035 (3)	0.004 (3)	0.012 (2)	−0.001 (3)
C122	0.057 (4)	0.069 (5)	0.096 (5)	−0.002 (3)	0.031 (4)	−0.028 (4)
C123	0.067 (5)	0.108 (7)	0.131 (8)	0.017 (5)	0.030 (5)	−0.059 (6)
C124	0.050 (5)	0.189 (11)	0.064 (5)	0.037 (6)	0.018 (4)	−0.027 (6)
C125	0.053 (5)	0.172 (10)	0.066 (5)	0.023 (6)	0.028 (4)	0.030 (6)
C126	0.048 (4)	0.091 (5)	0.065 (4)	0.008 (4)	0.023 (3)	0.030 (4)
C211	0.040 (3)	0.054 (3)	0.035 (3)	−0.003 (3)	0.011 (2)	0.000 (2)
C212	0.062 (4)	0.070 (4)	0.043 (3)	−0.012 (3)	0.005 (3)	−0.007 (3)
C213	0.061 (4)	0.110 (7)	0.039 (3)	−0.007 (4)	0.002 (3)	−0.012 (4)
C214	0.082 (5)	0.108 (7)	0.040 (4)	0.016 (5)	0.004 (4)	0.015 (4)
C215	0.095 (6)	0.077 (5)	0.056 (4)	−0.004 (4)	0.005 (4)	0.026 (4)
C216	0.073 (4)	0.061 (4)	0.043 (3)	−0.008 (3)	0.008 (3)	0.008 (3)
C221	0.041 (3)	0.040 (3)	0.047 (3)	−0.008 (2)	0.014 (2)	−0.013 (2)
C222	0.068 (4)	0.045 (3)	0.057 (4)	0.004 (3)	0.025 (3)	−0.006 (3)
C223	0.094 (6)	0.054 (4)	0.084 (5)	0.021 (4)	0.028 (5)	−0.006 (4)
C224	0.083 (5)	0.074 (5)	0.096 (6)	0.020 (4)	0.034 (5)	−0.028 (5)
C225	0.091 (6)	0.100 (6)	0.070 (5)	0.012 (5)	0.041 (4)	−0.024 (5)
C226	0.070 (4)	0.075 (5)	0.055 (4)	0.009 (4)	0.032 (3)	−0.007 (3)

Geometric parameters (Å, º)

Cu1—N1	2.031 (5)	C115—C116	1.383 (9)
Cu1—N2	2.172 (6)	C115—H11E	0.9300
Cu1—P1	2.2730 (14)	C116—H11B	0.9300
Cu1—P2	2.2859 (15)	C121—C122	1.376 (9)
P1—C111	1.829 (5)	C121—C126	1.394 (8)
P1—C121	1.832 (6)	C122—C123	1.396 (10)
P1—C01^i	1.843 (5)	C122—H12B	0.9300
P2—C211	1.828 (5)	C123—C124	1.380 (14)
P2—C221	1.831 (6)	C123—H12E	0.9300
P2—C01	1.837 (5)	C124—C125	1.369 (14)
P3—F1	1.490 (7)	C124—H12C	0.9300
P3—F2	1.497 (8)	C125—C126	1.377 (11)
P3—F5	1.498 (9)	C125—H12D	0.9300
P3—F4	1.499 (8)	C126—H12A	0.9300
P3—F6	1.521 (7)	C211—C216	1.381 (8)
P3—F3	1.551 (9)	C211—C212	1.393 (8)
N1—C1	1.128 (8)	C212—C213	1.383 (9)
N2—C3	1.115 (8)	C212—H21D	0.9300
C1—C2	1.468 (10)	C213—C214	1.374 (11)
C01—P1^i	1.843 (5)	C213—H21B	0.9300
C01—H01A	0.9700	C214—C215	1.368 (11)
C01—H01B	0.9700	C214—H21C	0.9300
C2—HC2A	0.9600	C215—C216	1.392 (9)
C2—HC2B	0.9600	C215—H21E	0.9300
C2—HC2C	0.9600	C216—H21A	0.9300
C3—C4	1.465 (11)	C221—C222	1.389 (8)
C4—H4A	0.9600	C221—C226	1.393 (8)
C4—H4B	0.9600	C222—C223	1.385 (9)
C4—H4C	0.9600	C222—H22A	0.9300
C111—C112	1.382 (8)	C223—C224	1.359 (11)
C111—C116	1.391 (8)	C223—H22E	0.9300
C112—C113	1.391 (9)	C224—C225	1.370 (11)
C112—H11A	0.9300	C224—H22D	0.9300
C113—C114	1.372 (11)	C225—C226	1.391 (10)
C113—H11C	0.9300	C225—H22C	0.9300
C114—C115	1.363 (11)	C226—H22B	0.9300
C114—H11D	0.9300
N1—Cu1—N2	95.6 (2)	C115—C114—C113	120.1 (7)
N1—Cu1—P1	117.74 (14)	C115—C114—H11D	120.0
N2—Cu1—P1	101.79 (14)	C113—C114—H11D	120.0
N1—Cu1—P2	117.24 (15)	C114—C115—C116	120.4 (7)
N2—Cu1—P2	95.01 (15)	C114—C115—H11E	119.8
P1—Cu1—P2	119.99 (6)	C116—C115—H11E	119.8
C111—P1—C121	101.7 (3)	C115—C116—C111	120.5 (6)
C111—P1—C01^i	104.6 (2)	C115—C116—H11B	119.8
C121—P1—C01^i	103.1 (3)	C111—C116—H11B	119.8
C111—P1—Cu1	119.29 (19)	C122—C121—C126	118.6 (6)
C121—P1—Cu1	109.52 (17)	C122—C121—P1	123.2 (5)
C01^i—P1—Cu1	116.46 (18)	C126—C121—P1	118.1 (5)
C211—P2—C221	103.6 (3)	C121—C122—C123	120.3 (8)
C211—P2—C01	103.1 (2)	C121—C122—H12B	119.8
C221—P2—C01	103.4 (2)	C123—C122—H12B	119.8
C211—P2—Cu1	116.35 (19)	C124—C123—C122	119.7 (9)
C221—P2—Cu1	108.21 (17)	C124—C123—H12E	120.1
C01—P2—Cu1	120.26 (17)	C122—C123—H12E	120.1
F1—P3—F2	174.5 (5)	C125—C124—C123	120.5 (8)
F1—P3—F5	96.2 (6)	C125—C124—H12C	119.8
F2—P3—F5	86.3 (6)	C123—C124—H12C	119.8
F1—P3—F4	94.6 (6)	C124—C125—C126	119.5 (9)
F2—P3—F4	82.7 (6)	C124—C125—H12D	120.2
F5—P3—F4	168.8 (6)	C126—C125—H12D	120.2
F1—P3—F6	91.0 (5)	C125—C126—C121	121.2 (8)
F2—P3—F6	93.9 (4)	C125—C126—H12A	119.4
F5—P3—F6	91.5 (5)	C121—C126—H12A	119.4
F4—P3—F6	91.3 (5)	C216—C211—C212	118.6 (6)
F1—P3—F3	84.6 (5)	C216—C211—P2	118.8 (4)
F2—P3—F3	90.6 (5)	C212—C211—P2	122.6 (5)
F5—P3—F3	88.2 (5)	C213—C212—C211	119.9 (7)
F4—P3—F3	89.9 (5)	C213—C212—H21D	120.1
F6—P3—F3	175.5 (5)	C211—C212—H21D	120.1
C1—N1—Cu1	171.8 (6)	C214—C213—C212	121.0 (7)
C3—N2—Cu1	157.5 (6)	C214—C213—H21B	119.5
N1—C1—C2	178.5 (9)	C212—C213—H21B	119.5
P2—C01—P1^i	113.8 (3)	C215—C214—C213	119.7 (7)
P2—C01—H01A	108.8	C215—C214—H21C	120.2
P1^i—C01—H01A	108.8	C213—C214—H21C	120.2
P2—C01—H01B	108.8	C214—C215—C216	119.9 (7)
P1^i—C01—H01B	108.8	C214—C215—H21E	120.1
H01A—C01—H01B	107.7	C216—C215—H21E	120.1
C1—C2—HC2A	109.5	C211—C216—C215	121.0 (6)
C1—C2—HC2B	109.5	C211—C216—H21A	119.5
HC2A—C2—HC2B	109.5	C215—C216—H21A	119.5
C1—C2—HC2C	109.5	C222—C221—C226	117.7 (6)
HC2A—C2—HC2C	109.5	C222—C221—P2	120.3 (4)
HC2B—C2—HC2C	109.5	C226—C221—P2	121.5 (5)
N2—C3—C4	178.3 (9)	C223—C222—C221	121.6 (6)
C3—C4—H4A	109.5	C223—C222—H22A	119.2
C3—C4—H4B	109.5	C221—C222—H22A	119.2
H4A—C4—H4B	109.5	C224—C223—C222	119.7 (7)
C3—C4—H4C	109.5	C224—C223—H22E	120.1
H4A—C4—H4C	109.5	C222—C223—H22E	120.1
H4B—C4—H4C	109.5	C223—C224—C225	120.4 (7)
C112—C111—C116	118.5 (5)	C223—C224—H22D	119.8
C112—C111—P1	120.2 (4)	C225—C224—H22D	119.8
C116—C111—P1	121.3 (5)	C224—C225—C226	120.3 (7)
C111—C112—C113	120.5 (6)	C224—C225—H22C	119.8
C111—C112—H11A	119.8	C226—C225—H22C	119.8
C113—C112—H11A	119.8	C225—C226—C221	120.3 (7)
C114—C113—C112	120.0 (7)	C225—C226—H22B	119.9
C114—C113—H11C	120.0	C221—C226—H22B	119.9
C112—C113—H11C	120.0

Symmetry code: (i) −x+1, y, −z+3/2.