Aqua-bis-(4-methyl-benzene-sulfonato-κO)(η(5)-penta-methyl-cyclo-penta-dien-yl)rhodium(III) monohydrate.

The title half-sandwich rhodium(III) complex, [Rh(C10H15)(C7H7O3S)2(H2O)]·H2O, consists of a π-bonded penta-methyl-cyclo-penta-dienyl group, two σ-bonded tosyl-ate groups and an aqua ligand. The structure displays both inter- and intra-molecular O-H⋯O hydrogen bonding. The inter-molecular hydrogen bonding results in an extended helical chain along a 21 screw axis parallel to c, due to hydrogen bonding from the coordinating water ligand to the lattice water mol-ecule and then to a sulfonate O atom of a different asymmetric unit.

Related literature

Synthesis details are given in Boyer et al. (1996 ▶). For the structure of another penta­methyl­cyclo­penta­dienylmetal bis-tosyl­ate (CCDC: 821138), see: Zaitsev et al. (2008 ▶). For the characterization of other aquo compounds, see: Bergmeister et al. (1990 ▶; CCDC: 601561) and Luo et al. (1990 ▶; CCDC: 595047). A survey of the geometry and environment of water molecules in crystalline hydrates studied by neutron diffraction can be found in in Ferraris & Franchini-Angela (1972 ▶).

Experimental

Crystal data

[Rh(C10H15)(C7H7O3S)2(H2O)]·H2O

M = 616.53

Orthorhombic,

a = 23.550 (8) Å

b = 18.814 (7) Å

c = 12.114 (5) Å

V = 5367 (3) Å3

Z = 8

Mo Kα radiation

μ = 0.84 mm−1

T = 295 K

0.4 × 0.4 × 0.4 mm

Data collection

Siemens P4 diffractometer

Absorption correction: ψ scan (North et al., 1968 ▶) T min = 0.00, T max = 0.881

4738 measured reflections

4738 independent reflections

3297 reflections with I > 2σ(I)

3 standard reflections every 200 reflections intensity decay: 0(1)

Refinement

R[F 2 > 2σ(F 2)] = 0.038

wR(F 2) = 0.086

S = 1.03

4738 reflections

340 parameters

1 restraint

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: XSCANS (Siemens, 1994 ▶); cell refinement: XSCANS; data reduction: XSCANS; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: OLEX2 (Dolomanov et al., 2009 ▶); software used to prepare material for publication: OLEX2.

Click here for additional data file.

Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S160053681300860X/pk2474sup1.cif

Click here for additional data file.

Structure factors: contains datablock(s) I. DOI: 10.1107/S160053681300860X/pk2474Isup2.hkl

Click here for additional data file.

Supplementary material file. DOI: 10.1107/S160053681300860X/pk2474Isup3.cdx

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

[Rh(C10H15)(C7H7O3S)2(H2O)]·H2O	Dx = 1.526 Mg m−3
Mr = 616.53	Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, Pbcn	Cell parameters from 50 reflections
a = 23.550 (8) Å	θ = 2–25°
b = 18.814 (7) Å	µ = 0.84 mm−1
c = 12.114 (5) Å	T = 295 K
V = 5367 (3) Å3	Prism, clear orange
Z = 8	0.4 × 0.4 × 0.4 mm
F(000) = 2544

Siemens P4 diffractometer	3297 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.000
Graphite monochromator	θmax = 25.0°, θmin = 2.2°
profile data from θ/2θ scans	h = 0→28
Absorption correction: ψ scan (North et al., 1968)	k = −22→0
Tmin = 0.00, Tmax = 0.881	l = 0→14
4738 measured reflections	3 standard reflections every 200 reflections
4738 independent reflections	intensity decay: 0(1)

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)] = 0.038	H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.086	w = 1/[σ2(Fo2) + (0.0322P)2 + 3.4175P] where P = (Fo2 + 2Fc2)/3
S = 1.03	(Δ/σ)max = 0.001
4738 reflections	Δρmax = 0.38 e Å−3
340 parameters	Δρmin = −0.29 e Å−3
1 restraint	Extinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.00052 (6)

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
Rh1	0.666388 (12)	0.645607 (15)	0.50870 (2)	0.03433 (11)
S1	0.65268 (5)	0.82532 (6)	0.52292 (9)	0.0465 (3)
S2	0.62414 (6)	0.60927 (6)	0.25074 (9)	0.0538 (3)
O1	0.62955 (11)	0.75207 (14)	0.5237 (2)	0.0451 (7)
O2	0.63499 (15)	0.86471 (18)	0.6196 (3)	0.0677 (10)
O3	0.71402 (13)	0.82661 (17)	0.5072 (3)	0.0635 (9)
O4	0.63324 (16)	0.65843 (16)	0.3441 (2)	0.0660 (10)
O5	0.67723 (16)	0.57892 (19)	0.2134 (3)	0.0802 (11)
O6	0.58036 (17)	0.55830 (19)	0.2723 (3)	0.0822 (11)
O7	0.74332 (15)	0.6962 (2)	0.4484 (3)	0.0604 (9)
H7A	0.736 (2)	0.681 (3)	0.384 (5)	0.09 (2)*
H7B	0.730 (3)	0.753 (4)	0.442 (6)	0.17 (3)*
O8	0.7836 (2)	0.6195 (3)	0.2870 (4)	0.0896 (15)
H8D	0.802 (3)	0.632 (4)	0.238 (6)	0.13 (3)*
H8E	0.754 (3)	0.602 (3)	0.252 (5)	0.09 (2)*
C1	0.6733 (2)	0.5351 (2)	0.5370 (3)	0.0510 (12)
C2	0.71567 (19)	0.5703 (2)	0.5983 (4)	0.0505 (11)
C3	0.68878 (19)	0.6193 (2)	0.6720 (3)	0.0470 (11)
C4	0.62904 (18)	0.6102 (2)	0.6596 (3)	0.0482 (11)
C5	0.6187 (2)	0.5592 (2)	0.5754 (4)	0.0512 (12)
C6	0.6836 (3)	0.4784 (3)	0.4526 (4)	0.097 (2)
H6A	0.7128	0.4937	0.4027	0.146*
H6B	0.6493	0.4697	0.4122	0.146*
H6C	0.6954	0.4355	0.4889	0.146*
C7	0.7786 (2)	0.5599 (4)	0.5867 (5)	0.097 (2)
H7C	0.7981	0.6007	0.6154	0.145*
H7D	0.7879	0.5539	0.5101	0.145*
H7E	0.7899	0.5183	0.6271	0.145*
C8	0.7184 (3)	0.6679 (3)	0.7509 (4)	0.0870 (19)
H8A	0.7038	0.7153	0.7424	0.130*
H8B	0.7584	0.6677	0.7358	0.130*
H8C	0.7119	0.6520	0.8251	0.130*
C9	0.5840 (3)	0.6498 (3)	0.7230 (5)	0.098 (2)
H9A	0.5486	0.6468	0.6841	0.147*
H9B	0.5950	0.6987	0.7303	0.147*
H9C	0.5799	0.6290	0.7949	0.147*
C10	0.5612 (2)	0.5339 (3)	0.5388 (5)	0.091 (2)
H10A	0.5641	0.5131	0.4666	0.136*
H10B	0.5354	0.5733	0.5366	0.136*
H10C	0.5474	0.4989	0.5899	0.136*
C11	0.62207 (17)	0.8673 (2)	0.4062 (3)	0.0427 (10)
C12	0.6297 (2)	0.9397 (2)	0.3923 (4)	0.0576 (12)
H12	0.6498	0.9656	0.4446	0.069*
C13	0.6074 (2)	0.9732 (3)	0.3013 (4)	0.0639 (14)
H13	0.6128	1.0219	0.2931	0.077*
C14	0.5773 (2)	0.9366 (3)	0.2217 (4)	0.0554 (12)
C15	0.5711 (2)	0.8643 (2)	0.2361 (4)	0.0571 (12)
H15	0.5512	0.8383	0.1834	0.068*
C16	0.59347 (19)	0.8292 (2)	0.3267 (4)	0.0510 (11)
H16	0.5892	0.7802	0.3338	0.061*
C17	0.5522 (2)	0.9735 (3)	0.1226 (4)	0.0834 (18)
H17A	0.5754	0.9641	0.0589	0.125*
H17B	0.5509	1.0238	0.1358	0.125*
H17C	0.5145	0.9561	0.1098	0.125*
C18	0.59902 (19)	0.6660 (2)	0.1437 (3)	0.0475 (11)
C19	0.63637 (19)	0.7094 (3)	0.0871 (4)	0.0543 (12)
H19	0.6749	0.7080	0.1035	0.065*
C20	0.6164 (2)	0.7548 (3)	0.0061 (4)	0.0591 (12)
H20	0.6419	0.7834	−0.0323	0.071*
C21	0.5590 (2)	0.7586 (3)	−0.0189 (4)	0.0584 (12)
C22	0.5227 (2)	0.7139 (3)	0.0370 (4)	0.0575 (13)
H22	0.4842	0.7148	0.0200	0.069*
C23	0.54202 (19)	0.6675 (2)	0.1184 (3)	0.0519 (12)
H23	0.5167	0.6379	0.1553	0.062*
C24	0.5368 (3)	0.8104 (3)	−0.1051 (4)	0.0871 (19)
H24A	0.5559	0.8024	−0.1739	0.131*
H24B	0.5437	0.8583	−0.0809	0.131*
H24C	0.4967	0.8034	−0.1147	0.131*

	U11	U22	U33	U12	U13	U23
Rh1	0.03743 (17)	0.03487 (17)	0.03068 (16)	0.00144 (14)	−0.00110 (14)	0.00030 (14)
S1	0.0509 (6)	0.0401 (5)	0.0485 (6)	0.0032 (5)	−0.0098 (5)	−0.0090 (5)
S2	0.0766 (8)	0.0486 (7)	0.0362 (6)	0.0044 (6)	−0.0117 (6)	−0.0066 (5)
O1	0.0436 (16)	0.0396 (16)	0.0522 (17)	0.0031 (12)	−0.0028 (13)	0.0010 (13)
O2	0.092 (3)	0.060 (2)	0.0503 (18)	0.0172 (19)	−0.0182 (18)	−0.0173 (16)
O3	0.0477 (17)	0.0533 (18)	0.090 (2)	−0.0023 (15)	−0.0137 (18)	−0.0075 (19)
O4	0.113 (3)	0.049 (2)	0.0358 (16)	0.0138 (19)	−0.0241 (17)	−0.0100 (14)
O5	0.097 (3)	0.080 (3)	0.064 (2)	0.035 (2)	−0.008 (2)	−0.0091 (19)
O6	0.118 (3)	0.070 (2)	0.059 (2)	−0.027 (2)	−0.018 (2)	0.0126 (18)
O7	0.054 (2)	0.055 (2)	0.072 (2)	−0.0047 (17)	0.0159 (19)	0.0070 (19)
O8	0.087 (3)	0.119 (4)	0.063 (3)	0.008 (3)	0.025 (3)	−0.002 (3)
C1	0.084 (4)	0.029 (2)	0.040 (2)	0.010 (2)	−0.006 (2)	0.0060 (17)
C2	0.051 (3)	0.054 (3)	0.047 (2)	0.009 (2)	−0.007 (2)	0.015 (2)
C3	0.058 (3)	0.049 (3)	0.034 (2)	−0.010 (2)	−0.007 (2)	0.0047 (19)
C4	0.051 (3)	0.053 (3)	0.040 (2)	0.004 (2)	0.014 (2)	0.014 (2)
C5	0.055 (3)	0.052 (3)	0.047 (3)	−0.015 (2)	−0.011 (2)	0.017 (2)
C6	0.184 (7)	0.049 (3)	0.058 (3)	0.022 (4)	−0.008 (4)	−0.006 (3)
C7	0.059 (4)	0.129 (6)	0.102 (5)	0.037 (4)	0.003 (3)	0.030 (4)
C8	0.126 (5)	0.081 (4)	0.054 (3)	−0.043 (4)	−0.034 (3)	0.008 (3)
C9	0.103 (5)	0.116 (5)	0.075 (4)	0.048 (4)	0.046 (4)	0.023 (4)
C10	0.080 (4)	0.096 (4)	0.097 (4)	−0.043 (3)	−0.039 (3)	0.044 (4)
C11	0.043 (2)	0.036 (2)	0.049 (2)	−0.0010 (19)	0.0031 (19)	−0.0045 (19)
C12	0.062 (3)	0.047 (3)	0.064 (3)	−0.008 (2)	−0.006 (2)	−0.010 (2)
C13	0.074 (4)	0.043 (3)	0.074 (3)	−0.002 (3)	0.007 (3)	0.014 (3)
C14	0.051 (3)	0.065 (3)	0.050 (3)	0.002 (3)	0.008 (2)	0.011 (2)
C15	0.066 (3)	0.057 (3)	0.049 (3)	0.001 (2)	−0.011 (2)	−0.003 (2)
C16	0.063 (3)	0.034 (2)	0.055 (3)	−0.003 (2)	−0.010 (2)	−0.008 (2)
C17	0.086 (4)	0.091 (4)	0.073 (4)	−0.006 (3)	0.000 (3)	0.034 (3)
C18	0.059 (3)	0.054 (3)	0.029 (2)	0.002 (2)	−0.006 (2)	−0.0066 (19)
C19	0.045 (3)	0.070 (3)	0.047 (3)	−0.002 (2)	−0.006 (2)	−0.004 (2)
C20	0.065 (3)	0.069 (3)	0.043 (3)	−0.008 (2)	−0.002 (2)	0.004 (2)
C21	0.077 (3)	0.060 (3)	0.038 (2)	0.008 (3)	−0.008 (2)	−0.003 (2)
C22	0.052 (3)	0.073 (3)	0.047 (3)	0.009 (3)	−0.014 (2)	−0.015 (2)
C23	0.055 (3)	0.061 (3)	0.040 (2)	−0.007 (2)	−0.001 (2)	−0.008 (2)
C24	0.112 (5)	0.091 (4)	0.059 (3)	0.018 (4)	−0.021 (3)	0.010 (3)

Rh1—O1	2.190 (3)	C8—H8B	0.9600
Rh1—O4	2.155 (3)	C8—H8C	0.9600
Rh1—O7	2.173 (3)	C9—H9A	0.9600
Rh1—C1	2.113 (4)	C9—H9B	0.9600
Rh1—C2	2.129 (4)	C9—H9C	0.9600
Rh1—C3	2.106 (4)	C10—H10A	0.9600
Rh1—C4	2.135 (4)	C10—H10B	0.9600
Rh1—C5	2.135 (4)	C10—H10C	0.9600
S1—O1	1.482 (3)	C11—C12	1.384 (6)
S1—O2	1.447 (3)	C11—C16	1.377 (6)
S1—O3	1.457 (3)	C12—H12	0.9300
S1—C11	1.773 (4)	C12—C13	1.373 (6)
S2—O4	1.476 (3)	C13—H13	0.9300
S2—O5	1.447 (4)	C13—C14	1.382 (6)
S2—O6	1.432 (4)	C14—C15	1.380 (6)
S2—C18	1.781 (4)	C14—C17	1.507 (6)
O7—H7A	0.85 (5)	C15—H15	0.9300
O7—H7B	1.11 (8)	C15—C16	1.386 (6)
O8—H8D	0.77 (8)	C16—H16	0.9300
O8—H8E	0.88 (6)	C17—H17A	0.9600
C1—C2	1.410 (6)	C17—H17B	0.9600
C1—C5	1.439 (6)	C17—H17C	0.9600
C1—C6	1.498 (6)	C18—C19	1.382 (6)
C2—C3	1.431 (6)	C18—C23	1.377 (6)
C2—C7	1.501 (6)	C19—H19	0.9300
C3—C4	1.425 (6)	C19—C20	1.384 (6)
C3—C8	1.495 (6)	C20—H20	0.9300
C4—C5	1.422 (6)	C20—C21	1.387 (7)
C4—C9	1.506 (6)	C21—C22	1.377 (7)
C5—C10	1.501 (6)	C21—C24	1.523 (6)
C6—H6A	0.9600	C22—H22	0.9300
C6—H6B	0.9600	C22—C23	1.394 (6)
C6—H6C	0.9600	C23—H23	0.9300
C7—H7C	0.9600	C24—H24A	0.9600
C7—H7D	0.9600	C24—H24B	0.9600
C7—H7E	0.9600	C24—H24C	0.9600
C8—H8A	0.9600
O4—Rh1—O1	80.25 (11)	C1—C6—H6B	109.5
O4—Rh1—O7	86.66 (15)	C1—C6—H6C	109.5
O7—Rh1—O1	87.57 (13)	H6A—C6—H6B	109.5
C1—Rh1—O1	156.42 (15)	H6A—C6—H6C	109.5
C1—Rh1—O4	106.75 (14)	H6B—C6—H6C	109.5
C1—Rh1—O7	114.93 (17)	C2—C7—H7C	109.5
C1—Rh1—C2	38.81 (17)	C2—C7—H7D	109.5
C1—Rh1—C4	65.50 (17)	C2—C7—H7E	109.5
C1—Rh1—C5	39.60 (17)	H7C—C7—H7D	109.5
C2—Rh1—O1	141.46 (15)	H7C—C7—H7E	109.5
C2—Rh1—O4	138.06 (15)	H7D—C7—H7E	109.5
C2—Rh1—O7	90.48 (16)	C3—C8—H8A	109.5
C2—Rh1—C4	65.18 (17)	C3—C8—H8B	109.5
C2—Rh1—C5	65.60 (17)	C3—C8—H8C	109.5
C3—Rh1—O1	103.66 (15)	H8A—C8—H8B	109.5
C3—Rh1—O4	170.43 (15)	H8A—C8—H8C	109.5
C3—Rh1—O7	102.12 (16)	H8B—C8—H8C	109.5
C3—Rh1—C1	66.24 (16)	C4—C9—H9A	109.5
C3—Rh1—C2	39.49 (16)	C4—C9—H9B	109.5
C3—Rh1—C4	39.27 (16)	C4—C9—H9C	109.5
C3—Rh1—C5	66.26 (16)	H9A—C9—H9B	109.5
C4—Rh1—O1	92.95 (14)	H9A—C9—H9C	109.5
C4—Rh1—O4	132.68 (17)	H9B—C9—H9C	109.5
C4—Rh1—O7	140.18 (17)	C5—C10—H10A	109.5
C4—Rh1—C5	38.89 (17)	C5—C10—H10B	109.5
C5—Rh1—O1	117.19 (16)	C5—C10—H10C	109.5
C5—Rh1—O4	104.17 (15)	H10A—C10—H10B	109.5
C5—Rh1—O7	154.07 (17)	H10A—C10—H10C	109.5
O1—S1—C11	105.65 (18)	H10B—C10—H10C	109.5
O2—S1—O1	111.4 (2)	C12—C11—S1	118.9 (3)
O2—S1—O3	112.5 (2)	C16—C11—S1	121.6 (3)
O2—S1—C11	107.48 (19)	C16—C11—C12	119.4 (4)
O3—S1—O1	112.37 (17)	C11—C12—H12	120.0
O3—S1—C11	107.0 (2)	C13—C12—C11	120.0 (4)
O4—S2—C18	103.32 (18)	C13—C12—H12	120.0
O5—S2—O4	111.2 (2)	C12—C13—H13	119.1
O5—S2—C18	107.2 (2)	C12—C13—C14	121.8 (4)
O6—S2—O4	112.6 (2)	C14—C13—H13	119.1
O6—S2—O5	114.5 (2)	C13—C14—C17	121.9 (5)
O6—S2—C18	107.1 (2)	C15—C14—C13	117.2 (4)
S1—O1—Rh1	134.78 (17)	C15—C14—C17	120.9 (5)
S2—O4—Rh1	133.72 (19)	C14—C15—H15	119.0
Rh1—O7—H7A	89 (4)	C14—C15—C16	122.0 (4)
Rh1—O7—H7B	102 (4)	C16—C15—H15	119.0
H7A—O7—H7B	102 (5)	C11—C16—C15	119.5 (4)
H8D—O8—H8E	101 (6)	C11—C16—H16	120.3
C2—C1—Rh1	71.2 (2)	C15—C16—H16	120.3
C2—C1—C5	108.4 (4)	C14—C17—H17A	109.5
C2—C1—C6	125.4 (5)	C14—C17—H17B	109.5
C5—C1—Rh1	71.0 (2)	C14—C17—H17C	109.5
C5—C1—C6	126.1 (5)	H17A—C17—H17B	109.5
C6—C1—Rh1	127.0 (3)	H17A—C17—H17C	109.5
C1—C2—Rh1	70.0 (2)	H17B—C17—H17C	109.5
C1—C2—C3	108.5 (4)	C19—C18—S2	120.2 (3)
C1—C2—C7	126.0 (5)	C23—C18—S2	119.9 (4)
C3—C2—Rh1	69.4 (2)	C23—C18—C19	119.9 (4)
C3—C2—C7	125.4 (5)	C18—C19—H19	120.0
C7—C2—Rh1	125.3 (3)	C18—C19—C20	120.0 (4)
C2—C3—Rh1	71.1 (2)	C20—C19—H19	120.0
C2—C3—C8	125.9 (5)	C19—C20—H20	119.4
C4—C3—Rh1	71.5 (2)	C19—C20—C21	121.1 (5)
C4—C3—C2	107.1 (4)	C21—C20—H20	119.4
C4—C3—C8	127.0 (5)	C20—C21—C24	121.2 (5)
C8—C3—Rh1	125.0 (3)	C22—C21—C20	117.9 (4)
C3—C4—Rh1	69.3 (2)	C22—C21—C24	120.9 (5)
C3—C4—C9	125.5 (5)	C21—C22—H22	119.1
C5—C4—Rh1	70.6 (2)	C21—C22—C23	121.8 (4)
C5—C4—C3	109.0 (4)	C23—C22—H22	119.1
C5—C4—C9	125.4 (5)	C18—C23—C22	119.2 (4)
C9—C4—Rh1	124.9 (3)	C18—C23—H23	120.4
C1—C5—Rh1	69.4 (2)	C22—C23—H23	120.4
C1—C5—C10	127.6 (5)	C21—C24—H24A	109.5
C4—C5—Rh1	70.6 (2)	C21—C24—H24B	109.5
C4—C5—C1	106.9 (4)	C21—C24—H24C	109.5
C4—C5—C10	125.5 (5)	H24A—C24—H24B	109.5
C10—C5—Rh1	127.2 (3)	H24A—C24—H24C	109.5
C1—C6—H6A	109.5	H24B—C24—H24C	109.5

D—H···A	D—H	H···A	D···A	D—H···A
O7—H7A···O8	0.85 (5)	1.99 (6)	2.608 (6)	128 (5)
O7—H7B···O3	1.11 (8)	1.64 (8)	2.647 (5)	147 (7)
O8—H8D···O2i	0.77 (8)	2.06 (8)	2.807 (6)	162 (8)
O8—H8E···O5	0.88 (6)	1.91 (6)	2.766 (7)	162 (6)

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O7—H7A⋯O8	0.85 (5)	1.99 (6)	2.608 (6)	128 (5)
O7—H7B⋯O3	1.11 (8)	1.64 (8)	2.647 (5)	147 (7)
O8—H8D⋯O2i	0.77 (8)	2.06 (8)	2.807 (6)	162 (8)
O8—H8E⋯O5	0.88 (6)	1.91 (6)	2.766 (7)	162 (6)

Symmetry code: (i) .