Di-μ-methoxo-bis­[aqua­dimethoxo­nitrosyl­molybdenum(II)]

The title complex, [Mo₂(CH₃O)₆(NO)₂(H₂O)₂], is a pseudocentrosymmetric dimer. The Mo^II centres are bridged by two methoxo groups and adopt distorted octa­hedral geometries. The crystal structure exhibits two intra­molecular O—H...O contacts (O...O < 3.0 Å) between coordinated water mol­ecules and methoxo groups. One H atom of each water mol­ecule is disordered equally over two sites.

Key indicators

• Single-crystal X-ray study
• T = 183 K
• Mean [sigma](O-C) = 0.006 Å
• R factor = 0.041
• wR factor = 0.128
• Data-to-parameter ratio = 18.7

checkCIF/PLATON results

No syntax errors found



Datablock: I


Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.97
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo1    -   O5      ..       6.66 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo2    -   O10     ..       6.25 su
PLAT413_ALERT_2_C Short Inter XH3 .. XHn     H6B    ..  H6B     ..       2.12 Ang.
PLAT728_ALERT_1_C D-H..A  Calc      167.00, Rep     165(20) Dev...       2.00 Deg.
              O5   -H5B  -O2      1.555   1.555   2.645
PLAT731_ALERT_1_C Bond    Calc     0.88(7), Rep     0.89(2) ......       3.50 su-Ra
              O5   -H5A     1.555   1.555
PLAT731_ALERT_1_C Bond    Calc     0.89(6), Rep     0.89(2) ......       3.00 su-Ra
              O10  -H10A    1.555   1.555
PLAT735_ALERT_1_C D-H     Calc     0.88(7), Rep     0.89(2) ......       3.50 su-Ra
              O5   -H5A     1.555   1.555
PLAT735_ALERT_1_C D-H     Calc     0.89(6), Rep     0.89(2) ......       3.00 su-Ra
              O10  -H10A    1.555   1.555

Alert level G
PLAT794_ALERT_5_G Check Predicted Bond Valency for Mo1         (6)       5.53
PLAT794_ALERT_5_G Check Predicted Bond Valency for Mo2         (5)       5.47
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          4

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   9 ALERT level C = Check and explain
   3 ALERT level G = General alerts; check

   5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   3 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion
   2 ALERT type 5 Informative message, check

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S1. Comment

The molybdenum dimer (I) exhibits a planar central four-membered Mo₂O₂ ring (torsional angle of 1.33 (11)°) with a Mo—Mo distance of 3.3933 (7) Å excluding any metal–metal bond. The nitrosyl ligands are nearly linear (176.7 (3) and 175.2 (3)°) and coordinated in trans positions to the methoxy bridges as observed in [Mo₂(C₅H₅)₂(OMe)₂(CH₂SiMe₃)₂(NO)₂] (Hayton et al., 2002). Two terminal methoxo ligands complete the nearly planar core [Mo₂(µ-OMe)₂(NO)₂(OMe)₂] whereas the two other ones are almost perpendicular to this plane and trans to coordinated water molecules. The Mo—O_aq bond distances of 2.269 (4) Å and 2.274 (4) Å are longer than the reported unweighted mean of 2.201 Å (Orpen et al., 1989).

In this conformation we observe two intramolecular O—H···H contacts (H10A···O4 = 2.06 (3) Å, O10···O4 = 2.929 (5) Å; H5A···O8 = 2.24 (6) Å, O5···O8 = 2.991 (5) Å) between the methoxo groups and the water molecules located on the same side of the Mo₂O₂ plane (Fig. 1). The other water H atoms are positionally disordered and form intermolecular hydrogen bonds with oxygen atoms of the nitrosyl groups and of one terminal methoxo ligand (O···O < 3.3 Å).

Related literature

For related di-µ-methoxo-bis(nitrosylmolybdenum) complexes, see: Hayton et al. (2002). For related di-µ-methoxo-bis(dimethoxomolybdenum) complexes, see: Kessler et al. (1993); Clegg et al. (1996); Bardina et al. (2006). For related di-µ-methoxo-bis(methoxomolybdenum) complexes, see: Hsieh & Zubieta (1987); Chilou et al. (1989). For reference bond lengths, see: Orpen et al. (1989).

S2. Experimental

Two equivalents of sodium hydroxide were added to a methanol solution of Mo(NO)₂(Cl)₂ in order to produce Mo(NO)₂(OH)₂(MeOH)₂. The green solution was slowly added to two equivalents of 1,3,5-triaza-7-phosphaadamantate (PTA) partly dissolved in methanol and the colour of the solution turned red within one hour. The IR spectrum of the reaction solution exhibited a strong NO band at 1638 cm^-1 indicating loss of one nitrosyl ligand from the molybdenum coordination sphere. Also the solid-state IR (ATR) spectrum of the soluble part revealed a ν(NO) absorption at 1640 cm^-1 and a very weak one at 1620 cm^-1, and additionally a strong ν(CO) band at 1037 cm^-1 and a few other signals attributable to PTA and to the corresponding phosphine oxyde (OPTA). The compounds soluble in methanol were redissolved in dichloromethane and red crystals of compound [Mo(µ-OMe)(OMe)₂(NO)(H₂O)]₂ (I) co-crystallized together with PTA and OPTA.

S3. Refinement

While the hydrogen atoms attached to carbon atoms were placed in geometrically calculated positions, those on water molecules were located in a difference Fourier map and then refined with the O—H distances restrained to 0.86 (2) Å. Three residual peaks could be attributed to H atoms for each coordinated water molecules. The positional disorders were refined with H5A and H10A with occupancy factors as unity and the second hydrogen atoms occupying two sites, H5B/H5C and H10B/H10C (occupancy factors of 1/2). Except H5A and H10A, all H atoms were included in the refinement with U_iso values of 1.3U_eq (parent atom).

Computing details

Data collection: IPDS Software (Stoe & Cie, 1998); cell refinement: IPDS Software (Stoe & Cie, 1998); data reduction: X-RED (Stoe & Cie, 1998); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999), SHELXL97 (Sheldrick, 1997).

Figures

Fig. 1. The molecular structure of (I) with the atom-labeling scheme. Displacement ellipsoids are drawn at the 30% probability level.

Di-µ-methoxo-bis[aquadimethoxonitrosylmolybdenum(II)]

Crystal data

[Mo2(CH3O)6(NO)2(H2O)2]	F(000) = 944
Mr = 474.14	Dx = 1.91 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 7998 reflections
a = 8.7567 (13) Å	θ = 2.8–30.3°
b = 15.6682 (17) Å	µ = 1.56 mm^−1
c = 12.5488 (18) Å	T = 183 K
β = 106.750 (16)°	Prism, red
V = 1648.7 (4) Å^3	0.5 × 0.45 × 0.43 mm
Z = 4

Data collection

Stoe IPDS diffractometer	3240 reflections with I > 2σ(I)
ϕ rotation scan	Rint = 0.085
Absorption correction: numerical (Coppens et al., 1965)	θmax = 28°, θmin = 3.6°
Tmin = 0.522, Tmax = 0.614	h = −11→11
19216 measured reflections	k = 0→20
3874 independent reflections	l = 0→16

Refinement

Refinement on F^2	4 restraints
Least-squares matrix: full	H atoms treated by a mixture of independent and constrained refinement
R[F^2 > 2σ(F^2)] = 0.041	w = 1/[σ^2(Fo^2) + (0.0942P)^2] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.128	(Δ/σ)max < 0.001
S = 1.11	Δρmax = 0.75 e Å^−3
3874 reflections	Δρmin = −1.21 e Å^−3
207 parameters

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.

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
Mo1	0.14909 (4)	0.05522 (2)	0.25247 (3)	0.02109 (13)
Mo2	0.35941 (4)	0.22983 (2)	0.21836 (3)	0.02114 (13)
N1	−0.0325 (4)	0.0077 (2)	0.1801 (3)	0.0242 (7)
O1	−0.1556 (4)	−0.0263 (2)	0.1254 (3)	0.0327 (7)
N2	0.5425 (4)	0.2756 (2)	0.2931 (3)	0.0247 (7)
O2	0.6664 (4)	0.3052 (2)	0.3518 (3)	0.0359 (8)
O3	0.2412 (4)	−0.04131 (19)	0.3389 (3)	0.0299 (7)
C3	0.1717 (6)	−0.1235 (3)	0.3376 (4)	0.0337 (10)
H3A	0.0749	−0.1187	0.3586	0.044*
H3B	0.2449	−0.1602	0.3893	0.044*
H3C	0.1484	−0.1472	0.2641	0.044*
O4	0.0788 (4)	0.11761 (19)	0.3613 (3)	0.0279 (6)
C4	−0.0701 (6)	0.1164 (3)	0.3822 (5)	0.0391 (11)
H4A	−0.1442	0.0841	0.3252	0.051*
H4B	−0.1085	0.1738	0.3823	0.051*
H4C	−0.0595	0.0905	0.4533	0.051*
O5	0.2715 (5)	0.0038 (2)	0.1292 (3)	0.0407 (8)
H5A	0.356 (7)	0.035 (5)	0.131 (8)	0.09 (3)*
H5B	0.30 (2)	−0.048 (5)	0.145 (18)	0.114*	0.50
H5C	0.21 (2)	−0.004 (14)	0.061 (6)	0.114*	0.50
O6	0.3733 (3)	0.12295 (17)	0.3148 (2)	0.0212 (5)
C6	0.4855 (6)	0.1103 (3)	0.4203 (4)	0.0313 (9)
H6A	0.5912	0.1201	0.4148	0.041*
H6B	0.4774	0.0529	0.4447	0.041*
H6C	0.4639	0.1495	0.4730	0.041*
O7	0.1374 (3)	0.16046 (17)	0.1539 (2)	0.0224 (6)
C7	0.0167 (6)	0.1784 (3)	0.0530 (4)	0.0312 (9)
H7A	0.0275	0.1402	−0.0042	0.041*
H7B	0.0275	0.2362	0.0309	0.041*
H7C	−0.0864	0.1709	0.0643	0.041*
O8	0.4287 (4)	0.16934 (19)	0.1057 (3)	0.0274 (6)
C8	0.5864 (6)	0.1568 (4)	0.1018 (5)	0.0395 (11)
H8A	0.6580	0.1903	0.1588	0.051*
H8B	0.5949	0.1739	0.0303	0.051*
H8C	0.6139	0.0975	0.1138	0.051*
O9	0.2601 (4)	0.32633 (19)	0.1369 (3)	0.0307 (7)
C9	0.3085 (7)	0.4130 (3)	0.1455 (4)	0.0376 (11)
H9A	0.2799	0.4395	0.2060	0.049*
H9B	0.2564	0.4422	0.0774	0.049*
H9C	0.4220	0.4161	0.1588	0.049*
O10	0.2458 (5)	0.2776 (2)	0.3488 (4)	0.0392 (8)
H10A	0.188 (7)	0.235 (3)	0.363 (6)	0.06 (2)*
H10B	0.190 (18)	0.324 (6)	0.328 (14)	0.081*	0.50
H10C	0.305 (17)	0.297 (10)	0.413 (7)	0.081*	0.50

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Mo1	0.0247 (2)	0.02005 (19)	0.0179 (2)	−0.00202 (12)	0.00518 (15)	0.00039 (11)
Mo2	0.0235 (2)	0.01972 (19)	0.0211 (2)	−0.00026 (11)	0.00789 (15)	0.00202 (12)
N1	0.0294 (19)	0.0235 (16)	0.0190 (16)	−0.0002 (13)	0.0060 (15)	0.0005 (13)
O1	0.0332 (18)	0.0349 (17)	0.0261 (16)	−0.0083 (13)	0.0025 (14)	−0.0037 (13)
N2	0.0278 (19)	0.0248 (17)	0.0234 (18)	−0.0014 (13)	0.0106 (16)	0.0017 (13)
O2	0.0309 (17)	0.0423 (19)	0.0331 (18)	−0.0151 (15)	0.0071 (15)	−0.0078 (15)
O3	0.0353 (17)	0.0251 (14)	0.0269 (16)	−0.0017 (12)	0.0053 (14)	0.0059 (12)
C3	0.047 (3)	0.0226 (19)	0.031 (2)	−0.0029 (19)	0.010 (2)	0.0056 (17)
O4	0.0303 (16)	0.0289 (15)	0.0273 (16)	−0.0050 (12)	0.0126 (14)	−0.0034 (12)
C4	0.036 (3)	0.044 (3)	0.042 (3)	−0.011 (2)	0.019 (2)	−0.018 (2)
O5	0.048 (2)	0.0381 (19)	0.038 (2)	−0.0015 (17)	0.0153 (18)	−0.0040 (16)
O6	0.0217 (14)	0.0213 (12)	0.0170 (13)	−0.0015 (10)	−0.0003 (11)	0.0018 (10)
C6	0.031 (2)	0.034 (2)	0.025 (2)	−0.0029 (18)	0.0015 (19)	0.0077 (17)
O7	0.0224 (14)	0.0239 (13)	0.0185 (14)	0.0004 (11)	0.0020 (12)	0.0037 (11)
C7	0.029 (2)	0.035 (2)	0.024 (2)	0.0006 (17)	−0.0023 (18)	0.0072 (17)
O8	0.0312 (16)	0.0298 (15)	0.0243 (15)	0.0002 (12)	0.0128 (13)	−0.0014 (12)
C8	0.034 (3)	0.050 (3)	0.039 (3)	0.004 (2)	0.018 (2)	−0.008 (2)
O9	0.0354 (17)	0.0252 (15)	0.0349 (18)	0.0032 (12)	0.0153 (15)	0.0095 (12)
C9	0.057 (3)	0.022 (2)	0.039 (3)	0.004 (2)	0.023 (3)	0.0048 (19)
O10	0.043 (2)	0.0349 (18)	0.045 (2)	−0.0004 (15)	0.0203 (19)	−0.0024 (15)

Geometric parameters (Å, º)

Mo1—Mo2	3.3933 (7)	O5—H5A	0.89 (2)
Mo1—N1	1.754 (4)	O5—H5B	0.87 (2)
Mo1—O3	1.900 (3)	O5—H5C	0.87 (2)
Mo1—O4	1.919 (3)	O6—C6	1.417 (5)
Mo1—O5	2.269 (4)	C6—H6A	0.9600
Mo1—O6	2.170 (3)	C6—H6B	0.9600
Mo1—O7	2.046 (3)	C6—H6C	0.9600
Mo2—N2	1.760 (4)	O7—C7	1.425 (5)
Mo2—O6	2.049 (3)	C7—H7A	0.9600
Mo2—O7	2.170 (3)	C7—H7B	0.9600
Mo2—O8	1.939 (3)	C7—H7C	0.9600
Mo2—O9	1.891 (3)	O8—C8	1.410 (6)
Mo2—O10	2.274 (4)	C8—H8A	0.9600
N1—O1	1.220 (5)	C8—H8B	0.9600
N2—O2	1.214 (5)	C8—H8C	0.9600
O3—C3	1.423 (5)	O9—C9	1.418 (5)
C3—H3A	0.9600	C9—H9A	0.9600
C3—H3B	0.9600	C9—H9B	0.9600
C3—H3C	0.9600	C9—H9C	0.9600
O4—C4	1.402 (5)	O10—H10A	0.89 (2)
C4—H4A	0.9600	O10—H10B	0.87 (2)
C4—H4B	0.9600	O10—H10C	0.88 (2)
C4—H4C	0.9600
N1—Mo1—O3	97.48 (15)	H4B—C4—H4C	109.5
N1—Mo1—O4	98.96 (15)	Mo1—O5—H5A	110 (6)
O3—Mo1—O4	99.75 (14)	Mo1—O5—H5B	111 (10)
N1—Mo1—O5	91.86 (16)	H5A—O5—H5B	108 (10)
O3—Mo1—O5	84.29 (15)	Mo1—O5—H5C	117 (10)
O4—Mo1—O5	167.81 (13)	H5A—O5—H5C	111 (10)
O7—Mo1—O5	79.93 (13)	H5B—O5—H5C	99 (10)
O6—Mo1—O5	82.13 (13)	C6—O6—Mo2	125.0 (2)
N1—Mo1—O6	170.28 (14)	C6—O6—Mo1	125.5 (2)
O3—Mo1—O6	89.56 (12)	Mo2—O6—Mo1	107.06 (12)
O4—Mo1—O6	86.38 (12)	O6—C6—H6A	109.5
O7—Mo1—O6	72.90 (11)	O6—C6—H6B	109.5
N1—Mo1—O7	98.60 (14)	H6A—C6—H6B	109.5
O3—Mo1—O7	157.76 (13)	O6—C6—H6C	109.5
O4—Mo1—O7	92.82 (12)	H6A—C6—H6C	109.5
N2—Mo2—O6	97.39 (14)	H6B—C6—H6C	109.5
O9—Mo2—O6	155.87 (13)	C7—O7—Mo1	126.3 (3)
O8—Mo2—O6	93.05 (12)	C7—O7—Mo2	126.0 (2)
N2—Mo2—O7	169.55 (14)	Mo1—O7—Mo2	107.17 (12)
O9—Mo2—O7	88.62 (12)	O7—C7—H7A	109.5
O8—Mo2—O7	85.31 (12)	O7—C7—H7B	109.5
O6—Mo2—O7	72.85 (11)	H7A—C7—H7B	109.5
N2—Mo2—O8	99.19 (15)	O7—C7—H7C	109.5
O9—Mo2—O8	100.86 (14)	H7A—C7—H7C	109.5
N2—Mo2—O9	99.69 (15)	H7B—C7—H7C	109.5
N2—Mo2—O10	90.14 (15)	C8—O8—Mo2	127.5 (3)
O9—Mo2—O10	84.10 (14)	O8—C8—H8A	109.5
O8—Mo2—O10	168.46 (13)	O8—C8—H8B	109.5
O6—Mo2—O10	78.93 (12)	H8A—C8—H8B	109.5
O7—Mo2—O10	84.40 (13)	O8—C8—H8C	109.5
O1—N1—Mo1	176.7 (3)	H8A—C8—H8C	109.5
O2—N2—Mo2	175.2 (3)	H8B—C8—H8C	109.5
C3—O3—Mo1	127.2 (3)	C9—O9—Mo2	130.1 (3)
O3—C3—H3A	109.5	O9—C9—H9A	109.5
O3—C3—H3B	109.5	O9—C9—H9B	109.5
H3A—C3—H3B	109.5	H9A—C9—H9B	109.5
O3—C3—H3C	109.5	O9—C9—H9C	109.5
H3A—C3—H3C	109.5	H9A—C9—H9C	109.5
H3B—C3—H3C	109.5	H9B—C9—H9C	109.5
C4—O4—Mo1	129.2 (3)	Mo2—O10—H10A	107 (5)
O4—C4—H4A	109.5	Mo2—O10—H10B	112 (10)
O4—C4—H4B	109.5	H10A—O10—H10B	113 (10)
H4A—C4—H4B	109.5	Mo2—O10—H10C	120 (10)
O4—C4—H4C	109.5	H10A—O10—H10C	108 (10)
H4A—C4—H4C	109.5	H10B—O10—H10C	97 (10)
N1—Mo1—O3—C3	0.0 (4)	O3—Mo1—O7—C7	131.3 (4)
O4—Mo1—O3—C3	100.5 (4)	O4—Mo1—O7—C7	−104.0 (3)
O7—Mo1—O3—C3	−136.0 (4)	O6—Mo1—O7—C7	170.7 (4)
O6—Mo1—O3—C3	−173.2 (4)	O5—Mo1—O7—C7	85.9 (3)
O5—Mo1—O3—C3	−91.1 (4)	N1—Mo1—O7—Mo2	−176.42 (15)
N1—Mo1—O4—C4	6.2 (4)	O3—Mo1—O7—Mo2	−40.6 (4)
O3—Mo1—O4—C4	−93.0 (4)	O4—Mo1—O7—Mo2	84.08 (14)
O7—Mo1—O4—C4	105.4 (4)	O6—Mo1—O7—Mo2	−1.26 (11)
O6—Mo1—O4—C4	178.1 (4)	O5—Mo1—O7—Mo2	−86.05 (15)
O5—Mo1—O4—C4	158.5 (6)	N2—Mo2—O7—C7	168.0 (7)
N2—Mo2—O6—C6	12.2 (3)	O9—Mo2—O7—C7	25.1 (3)
O9—Mo2—O6—C6	−122.6 (4)	O8—Mo2—O7—C7	−76.0 (3)
O8—Mo2—O6—C6	111.9 (3)	O6—Mo2—O7—C7	−170.6 (3)
O7—Mo2—O6—C6	−164.0 (3)	O10—Mo2—O7—C7	109.3 (3)
O10—Mo2—O6—C6	−76.5 (3)	N2—Mo2—O7—Mo1	−20.0 (8)
N2—Mo2—O6—Mo1	174.92 (15)	O9—Mo2—O7—Mo1	−162.99 (15)
O9—Mo2—O6—Mo1	40.1 (4)	O8—Mo2—O7—Mo1	95.99 (14)
O8—Mo2—O6—Mo1	−85.39 (14)	O6—Mo2—O7—Mo1	1.33 (11)
O7—Mo2—O6—Mo1	−1.26 (11)	O10—Mo2—O7—Mo1	−78.79 (15)
O10—Mo2—O6—Mo1	86.24 (15)	N2—Mo2—O8—C8	9.3 (4)
O3—Mo1—O6—C6	−29.9 (3)	O9—Mo2—O8—C8	111.1 (4)
O4—Mo1—O6—C6	69.9 (3)	O6—Mo2—O8—C8	−88.7 (4)
O7—Mo1—O6—C6	164.0 (3)	O7—Mo2—O8—C8	−161.2 (4)
O5—Mo1—O6—C6	−114.2 (3)	O10—Mo2—O8—C8	−134.2 (7)
O3—Mo1—O6—Mo2	167.46 (15)	N2—Mo2—O9—C9	−8.2 (4)
O4—Mo1—O6—Mo2	−92.74 (15)	O8—Mo2—O9—C9	−109.6 (4)
O7—Mo1—O6—Mo2	1.33 (11)	O6—Mo2—O9—C9	126.2 (4)
O5—Mo1—O6—Mo2	83.16 (15)	O7—Mo2—O9—C9	165.4 (4)
N1—Mo1—O7—C7	−4.5 (4)	O10—Mo2—O9—C9	80.9 (4)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O5—H5A···O8	0.89 (2)	2.24 (6)	2.991 (5)	142 (8)
O5—H5B···O2^i	0.87 (2)	2.31 (6)	3.156 (5)	165 (20)
O5—H5C···O1^ii	0.87 (2)	2.29 (11)	3.081 (5)	150 (20)
O10—H10A···O4	0.89 (2)	2.06 (3)	2.929 (5)	163 (7)
O10—H10C···O8^iii	0.88 (2)	2.41 (5)	3.266 (5)	166 (15)
O10—H10B···O1^iv	0.87 (2)	2.46 (11)	3.212 (5)	145 (15)

Symmetry codes: (i) −x+1, y−1/2, −z+1/2; (ii) −x, −y, −z; (iii) x, −y+1/2, z+1/2; (iv) −x, y+1/2, −z+1/2.