Sodium p-nitro­phenolate tetrahydrate

The structure of sodium p-nitro­phenolate tetrahydrate, Na⁺·C₆H₄NO₃^-·4H₂O, is presented. The nature of the hydrogen and coordination bonds in this structure is discussed and compared with that of sodium p-nitro­phenolate dihydrate.

Key indicators

• Single-crystal X-ray study
• T = 123 K
• Mean [sigma](C-C) = 0.003 Å
• R factor = 0.041
• wR factor = 0.101
• Data-to-parameter ratio = 12.5

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry

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Computing details

Data collection: MSC/AFC Diffractometer Control Software (Molecular Structure Corporation, 1985); cell refinement: MSC/AFC Diffractometer Control Software; data reduction: TEXSAN (Molecular Structure Corporation, 1993); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: INSIGHTII (Biosym Technologies, 1995) and Xtal_GX (Hall & du Boulay, 1995); software used to prepare material for publication: WinGX publication routines (Farrugia, 1999).

Sodium p-Nitrophenolate Tetrahydrate

Crystal data

2Na^+·2C6H4NO3^−·8H2O	F(000) = 976
Mr = 466.31	Dx = 1.49 Mg m^−3 Dm = 1.44 Mg m^−3 Dm measured by flotation in CHBr3/C6H5CH3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
a = 11.844 (2) Å	Cell parameters from 25 reflections
b = 6.8736 (12) Å	θ = 12.0–15.1°
c = 25.939 (6) Å	µ = 0.17 mm^−1
β = 101.038 (17)°	T = 123 K
V = 2072.6 (7) Å^3	Plate, yellow
Z = 4	0.3 × 0.2 × 0.2 mm

Data collection

Rigaku AFC7S four-circle diffractometer	Rint = 0.016
Radiation source: fine-focus sealed tube	θmax = 27.5°, θmin = 2.6°
Graphite monochromator	h = 0→15
ω scans	k = 0→8
5184 measured reflections	l = −33→31
4641 independent reflections	3 standard reflections every 150 reflections
4267 reflections with I > 2σ(I)	intensity decay: 4.0%

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)] = 0.041	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.101	All H-atom parameters refined
S = 1.12	w = 1/[σ^2(Fo^2) + ( 0.0304P)^2 + 2.0621P] where P = (Fo^2 + 2Fc^2)/3
4641 reflections	(Δ/σ)max = 0.001
370 parameters	Δρmax = 0.27 e Å^−3
0 restraints	Δρmin = −0.22 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 on F² for ALL reflections except for 0 with very negative F² or flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The observed criterion of F² > σ(F²) is used only for calculating R_factor_obs 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
H7	0.4701 (17)	1.510 (3)	0.2646 (8)	0.018 (5)*
H3	0.7081 (18)	0.803 (3)	0.2584 (8)	0.019 (5)*
H5	0.7903 (18)	1.306 (3)	0.2565 (8)	0.018 (5)*
H8	0.4223 (19)	1.509 (3)	0.1724 (8)	0.023 (5)*
H4	0.6839 (18)	0.795 (3)	0.1677 (8)	0.017 (5)*
H13	0.099 (2)	0.898 (4)	−0.0815 (10)	0.031 (6)*
H9	0.375 (2)	0.817 (4)	−0.0797 (10)	0.035 (7)*
H1	1.0412 (18)	0.989 (3)	0.2682 (8)	0.019 (5)*
H14	0.020 (2)	0.645 (4)	0.0489 (10)	0.044 (8)*
H12	0.202 (2)	0.957 (4)	0.0763 (11)	0.040 (7)*
H6	0.7382 (18)	1.303 (3)	0.1656 (8)	0.021 (5)*
H2	1.0186 (19)	0.965 (3)	0.1782 (9)	0.028 (6)*
H15	0.174 (2)	0.422 (4)	0.0717 (12)	0.049 (8)*
H16	0.468 (2)	0.647 (4)	0.0735 (10)	0.032 (6)*
H10	0.296 (2)	0.967 (4)	−0.0800 (10)	0.039 (7)*
H11	0.250 (2)	1.068 (4)	0.0451 (10)	0.041 (7)*
H17	0.043 (2)	0.734 (4)	−0.0853 (11)	0.045 (8)*
H19	−0.061 (2)	0.744 (4)	0.0695 (11)	0.041 (7)*
H23	0.343 (2)	0.476 (4)	−0.0740 (11)	0.046 (8)*
H22	0.357 (2)	1.292 (4)	0.0115 (12)	0.045 (8)*
H18	0.124 (2)	0.410 (4)	0.0207 (11)	0.046 (8)*
H21	0.419 (2)	1.278 (4)	0.0587 (12)	0.047 (8)*
H24	0.252 (3)	0.359 (5)	−0.0736 (12)	0.051 (8)*
H20	0.416 (3)	0.807 (5)	0.0818 (12)	0.056 (9)*
Na1	0.24765 (6)	0.71033 (10)	−0.00353 (2)	0.01625 (16)
Na2	0.5000	1.0000	0.0000	0.0172 (2)
Na3	0.0000	1.0000	0.0000	0.0157 (2)
O5W	0.19567 (11)	0.9866 (2)	0.04590 (5)	0.0181 (3)
O4W	0.29264 (11)	0.43647 (19)	−0.05386 (5)	0.0185 (3)
O3W	0.34576 (11)	0.89615 (19)	−0.06110 (5)	0.0169 (2)
O6W	0.15303 (11)	0.4899 (2)	0.04362 (5)	0.0200 (3)
O7W	0.07673 (11)	0.8150 (2)	−0.06294 (5)	0.0181 (3)
O1W	−0.03901 (11)	0.7195 (2)	0.04237 (5)	0.0198 (3)
O2W	0.43063 (11)	0.7428 (2)	0.05731 (5)	0.0194 (3)
O1B	0.83407 (10)	0.87430 (18)	0.11094 (4)	0.0176 (3)
O8W	0.38121 (11)	1.21836 (19)	0.03549 (5)	0.0186 (3)
O1A	0.54894 (10)	1.41048 (18)	0.10715 (4)	0.0173 (2)
O3B	0.98409 (12)	0.9544 (2)	0.35413 (5)	0.0271 (3)
O2A	0.59212 (12)	1.4668 (2)	0.35012 (5)	0.0279 (3)
O3A	0.76001 (13)	1.3487 (2)	0.34580 (5)	0.0322 (3)
O2B	0.81027 (13)	0.8438 (2)	0.34857 (5)	0.0319 (3)
N1A	0.66347 (14)	1.4087 (2)	0.32434 (6)	0.0215 (3)
N1B	0.89076 (14)	0.8981 (2)	0.32782 (6)	0.0208 (3)
C5B	0.96872 (15)	0.9451 (3)	0.24792 (7)	0.0189 (3)
C3B	0.77041 (15)	0.8380 (3)	0.24199 (7)	0.0183 (3)
C1B	0.84845 (14)	0.8792 (2)	0.16231 (6)	0.0153 (3)
C1A	0.57470 (14)	1.4068 (2)	0.15859 (6)	0.0156 (3)
C5A	0.71320 (15)	1.3422 (3)	0.23911 (7)	0.0180 (3)
C4B	0.87655 (15)	0.8945 (2)	0.27161 (6)	0.0169 (3)
C4A	0.63332 (15)	1.4079 (3)	0.26817 (6)	0.0170 (3)
C6B	0.95508 (15)	0.9358 (3)	0.19399 (7)	0.0184 (3)
C2B	0.75680 (15)	0.8322 (3)	0.18805 (7)	0.0176 (3)
C3A	0.52398 (15)	1.4717 (3)	0.24375 (7)	0.0180 (3)
C6A	0.68449 (15)	1.3429 (3)	0.18527 (7)	0.0173 (3)
C2A	0.49498 (15)	1.4695 (3)	0.18965 (7)	0.0175 (3)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Na1	0.0185 (3)	0.0162 (3)	0.0140 (3)	0.0005 (3)	0.0029 (2)	0.0004 (3)
Na2	0.0167 (4)	0.0181 (5)	0.0158 (4)	−0.0002 (4)	0.0007 (3)	−0.0037 (4)
Na3	0.0171 (4)	0.0160 (5)	0.0140 (4)	0.0005 (4)	0.0031 (3)	0.0009 (4)
O5W	0.0192 (6)	0.0209 (7)	0.0131 (6)	−0.0012 (5)	0.0005 (4)	0.0001 (5)
O4W	0.0225 (6)	0.0186 (6)	0.0152 (6)	−0.0033 (5)	0.0050 (5)	−0.0018 (5)
O3W	0.0188 (6)	0.0180 (6)	0.0132 (6)	0.0017 (5)	0.0008 (5)	−0.0010 (5)
O6W	0.0249 (6)	0.0192 (6)	0.0161 (6)	0.0006 (5)	0.0043 (5)	0.0013 (5)
O7W	0.0217 (6)	0.0182 (6)	0.0142 (6)	−0.0020 (5)	0.0028 (5)	−0.0010 (5)
O1W	0.0237 (7)	0.0198 (7)	0.0172 (6)	0.0027 (5)	0.0069 (5)	0.0016 (5)
O2W	0.0231 (6)	0.0190 (6)	0.0154 (6)	0.0042 (5)	0.0018 (5)	0.0008 (5)
O1B	0.0236 (6)	0.0180 (6)	0.0109 (5)	0.0010 (5)	0.0023 (4)	0.0006 (5)
O8W	0.0210 (6)	0.0175 (6)	0.0158 (6)	−0.0004 (5)	−0.0001 (5)	−0.0010 (5)
O1A	0.0210 (6)	0.0192 (6)	0.0113 (5)	−0.0009 (5)	0.0022 (4)	−0.0005 (5)
O3B	0.0346 (7)	0.0282 (7)	0.0150 (6)	−0.0003 (6)	−0.0037 (5)	0.0001 (5)
O2A	0.0378 (8)	0.0332 (8)	0.0143 (6)	0.0039 (6)	0.0084 (5)	0.0001 (6)
O3A	0.0346 (8)	0.0428 (9)	0.0159 (6)	0.0082 (7)	−0.0036 (5)	−0.0005 (6)
O2B	0.0402 (8)	0.0409 (9)	0.0164 (6)	−0.0061 (7)	0.0096 (6)	−0.0003 (6)
N1A	0.0298 (8)	0.0204 (8)	0.0135 (7)	−0.0012 (6)	0.0023 (6)	0.0008 (6)
N1B	0.0312 (8)	0.0179 (7)	0.0126 (7)	0.0024 (6)	0.0021 (6)	0.0005 (6)
C5B	0.0205 (8)	0.0186 (8)	0.0157 (8)	0.0006 (7)	−0.0015 (6)	−0.0005 (7)
C3B	0.0223 (8)	0.0157 (8)	0.0175 (8)	−0.0009 (7)	0.0055 (6)	0.0016 (6)
C1B	0.0215 (8)	0.0111 (7)	0.0124 (7)	0.0021 (6)	0.0013 (6)	0.0007 (6)
C1A	0.0203 (8)	0.0122 (8)	0.0137 (7)	−0.0025 (6)	0.0020 (6)	−0.0001 (6)
C5A	0.0205 (8)	0.0152 (8)	0.0169 (8)	0.0012 (6)	0.0003 (6)	0.0008 (6)
C4B	0.0252 (8)	0.0138 (8)	0.0110 (7)	0.0022 (6)	0.0013 (6)	0.0008 (6)
C4A	0.0240 (8)	0.0152 (8)	0.0114 (7)	−0.0018 (6)	0.0023 (6)	0.0006 (6)
C6B	0.0192 (8)	0.0206 (9)	0.0159 (8)	−0.0001 (7)	0.0042 (6)	0.0015 (7)
C2B	0.0196 (8)	0.0159 (8)	0.0158 (8)	−0.0026 (6)	0.0001 (6)	−0.0007 (6)
C3A	0.0225 (8)	0.0162 (8)	0.0164 (8)	−0.0012 (7)	0.0065 (6)	0.0005 (6)
C6A	0.0193 (8)	0.0167 (8)	0.0159 (8)	0.0012 (6)	0.0035 (6)	−0.0009 (6)
C2A	0.0186 (8)	0.0171 (8)	0.0163 (8)	0.0013 (6)	0.0023 (6)	0.0005 (6)

Geometric parameters (Å, º)

Na1—O6W	2.361 (2)	O8W—H22	0.81 (3)
Na1—O4W	2.4080 (17)	O8W—H21	0.79 (3)
Na1—O3W	2.424 (3)	O1A—C1A	1.311 (2)
Na1—O5W	2.4355 (17)	O3B—N1B	1.244 (3)
Na1—Na3	3.5606 (9)	O2A—N1A	1.240 (2)
Na1—Na2	3.5778 (9)	O3A—N1A	1.242 (3)
Na1—H18	2.67 (3)	O2B—N1B	1.239 (2)
Na2—O8W^i	2.361 (2)	N1A—C4A	1.432 (2)
Na2—O2W^i	2.5450 (19)	N1B—C4B	1.436 (2)
Na2—Na1^i	3.5778 (9)	C5B—C6B	1.379 (2)
Na2—H9	2.62 (3)	C5B—C4B	1.395 (3)
Na3—O1W^ii	2.3096 (15)	C5B—H1	0.97 (2)
Na3—O7W^ii	2.383 (2)	C3B—C2B	1.378 (2)
Na3—Na1^ii	3.5606 (9)	C3B—C4B	1.397 (3)
O5W—H12	0.80 (3)	C3B—H3	0.95 (2)
O5W—H11	0.86 (3)	C1B—C2B	1.416 (3)
O4W—H23	0.91 (3)	C1B—C6B	1.423 (3)
O4W—H24	0.83 (3)	C1A—C2A	1.420 (3)
O3W—H9	0.84 (3)	C1A—C6A	1.421 (3)
O3W—H10	0.85 (3)	C5A—C6A	1.373 (3)
O6W—H15	0.86 (3)	C5A—C4A	1.393 (3)
O6W—H18	0.83 (3)	C5A—H5	0.97 (2)
O7W—H13	0.82 (3)	C4A—C3A	1.399 (3)
O7W—H17	0.84 (3)	C6B—H2	0.94 (2)
O1W—H14	0.86 (3)	C2B—H4	0.96 (2)
O1W—H19	0.81 (3)	C3A—C2A	1.380 (3)
O2W—H16	0.86 (3)	C3A—H7	0.95 (2)
O2W—H20	0.82 (3)	C6A—H6	0.93 (2)
O1B—C1B	1.311 (2)	C2A—H8	0.93 (2)
O7W—Na1—H18	87.2 (6)	H15—O6W—H18	105 (3)
O4W—Na1—H18	73.2 (6)	Na3—O7W—H13	103.5 (17)
O3W—Na1—H18	154.1 (6)	Na1—O7W—H13	105.1 (17)
O2W—Na1—H18	112.1 (6)	Na3—O7W—H17	129.2 (18)
O5W—Na1—H18	105.9 (6)	Na1—O7W—H17	117.9 (19)
Na3—Na1—H18	86.4 (6)	H13—O7W—H17	103 (2)
Na2—Na1—H18	156.2 (6)	Na3—O1W—H14	111.0 (18)
O3W—Na2—O3W^i	180.00 (5)	Na3—O1W—H19	112 (2)
O3W^i—Na2—O8W^i	90.69 (5)	H14—O1W—H19	110 (3)
O3W^i—Na2—O8W	89.31 (5)	Na1—O2W—H16	124.1 (16)
O8W^i—Na2—O8W	180.00 (7)	Na2—O2W—H16	128.5 (16)
O8W^i—Na2—O2W^i	86.03 (9)	Na1—O2W—H20	105 (2)
O8W—Na2—O2W^i	93.97 (9)	Na2—O2W—H20	103 (2)
O3W^i—Na2—O2W	96.67 (7)	H16—O2W—H20	102 (3)
O8W^i—Na2—O2W	93.97 (9)	Na2—O8W—H22	104 (2)
O8W—Na2—O2W	86.03 (9)	Na2—O8W—H21	109 (2)
O2W^i—Na2—O2W	180.00 (4)	H22—O8W—H21	109 (3)
O2W—Na2—Na1^i	137.14 (9)	O2A—N1A—O3A	121.93 (15)
O8W^i—Na2—Na1	101.15 (6)	O2A—N1A—C4A	119.15 (18)
O2W^i—Na2—Na1	137.14 (9)	O3A—N1A—C4A	118.9 (2)
Na1^i—Na2—Na1	180.0	O2B—N1B—O3B	122.15 (15)
O3W^i—Na2—H9	161.8 (6)	O2B—N1B—C4B	119.06 (19)
O8W^i—Na2—H9	71.1 (6)	O3B—N1B—C4B	118.8 (2)
O8W—Na2—H9	108.9 (6)	C6B—C5B—C4B	119.1 (2)
O2W^i—Na2—H9	93.9 (6)	C6B—C5B—H1	119.2 (12)
O2W—Na2—H9	86.1 (6)	C4B—C5B—H1	121.8 (12)
Na1^i—Na2—H9	129.0 (6)	C2B—C3B—C4B	119.0 (2)
Na1—Na2—H9	51.0 (6)	C2B—C3B—H3	119.8 (13)
O1W^ii—Na3—O1W	180.00 (6)	C4B—C3B—H3	121.2 (13)
O1W^ii—Na3—O7W	88.98 (7)	O1B—C1B—C2B	120.74 (19)
O1W^ii—Na3—O7W^ii	91.02 (7)	O1B—C1B—C6B	121.5 (2)
O1W—Na3—O7W^ii	88.98 (7)	C2B—C1B—C6B	117.75 (15)
O7W—Na3—O7W^ii	180.00 (7)	O1A—C1A—C2A	121.40 (18)
O1W^ii—Na3—O5W	90.34 (8)	O1A—C1A—C6A	121.0 (2)
O7W—Na3—O5W	81.98 (10)	C2A—C1A—C6A	117.59 (15)
O7W^ii—Na3—O5W	98.02 (10)	C6A—C5A—C4A	119.20 (18)
O1W^ii—Na3—O5W^ii	89.66 (8)	C6A—C5A—H5	120.0 (12)
O1W—Na3—O5W^ii	90.34 (8)	C4A—C5A—H5	120.6 (12)
O7W—Na3—O5W^ii	98.02 (10)	C5B—C4B—C3B	121.64 (15)
O7W^ii—Na3—O5W^ii	81.98 (10)	C5B—C4B—N1B	119.57 (19)
O5W—Na3—O5W^ii	180.00 (7)	C3B—C4B—N1B	118.8 (2)
O1W^ii—Na3—Na1	102.34 (8)	C5A—C4A—C3A	121.50 (16)
O1W^ii—Na3—Na1^ii	77.66 (8)	C5A—C4A—N1A	119.27 (18)
O1W—Na3—Na1^ii	102.34 (8)	C3A—C4A—N1A	119.2 (2)
Na1—Na3—Na1^ii	180.0	C5B—C6B—C1B	121.2 (2)
Na3—O5W—H12	113.7 (18)	C5B—C6B—H2	118.8 (14)
Na1—O5W—H12	109 (2)	C1B—C6B—H2	120.0 (14)
Na3—O5W—H11	128.7 (18)	C3B—C2B—C1B	121.40 (19)
Na1—O5W—H11	103.0 (18)	C3B—C2B—H4	119.0 (12)
H12—O5W—H11	105 (2)	C1B—C2B—H4	119.6 (12)
Na1—O4W—H23	108.4 (18)	C2A—C3A—C4A	119.1 (2)
Na1—O4W—H24	133 (2)	C2A—C3A—H7	121.3 (12)
H23—O4W—H24	102 (3)	C4A—C3A—H7	119.5 (12)
Na2—O3W—H9	103.5 (17)	C5A—C6A—C1A	121.5 (2)
Na1—O3W—H9	108.2 (17)	C5A—C6A—H6	119.7 (13)
Na2—O3W—H10	126.8 (18)	C1A—C6A—H6	118.8 (13)
Na1—O3W—H10	107.1 (17)	C3A—C2A—C1A	121.15 (18)
H9—O3W—H10	111 (2)	C3A—C2A—H8	120.9 (13)
Na1—O6W—H15	134.4 (19)	C1A—C2A—H8	118.0 (13)
Na1—O6W—H18	102.9 (19)
C6B—C5B—C4B—C3B	−1.1 (3)	C4B—C5B—C6B—C1B	1.2 (3)
C6B—C5B—C4B—N1B	178.18 (16)	O1B—C1B—C6B—C5B	178.43 (16)
C2B—C3B—C4B—C5B	0.0 (3)	C2B—C1B—C6B—C5B	−0.2 (3)
C2B—C3B—C4B—N1B	−179.28 (16)	C4B—C3B—C2B—C1B	1.0 (3)
O2B—N1B—C4B—C5B	−176.49 (17)	O1B—C1B—C2B—C3B	−179.56 (16)
O3B—N1B—C4B—C5B	3.0 (2)	C6B—C1B—C2B—C3B	−0.9 (3)
O2B—N1B—C4B—C3B	2.8 (2)	C5A—C4A—C3A—C2A	−0.1 (3)
O3B—N1B—C4B—C3B	−177.71 (16)	N1A—C4A—C3A—C2A	−179.59 (16)
C6A—C5A—C4A—C3A	1.0 (3)	C4A—C5A—C6A—C1A	−0.8 (3)
C6A—C5A—C4A—N1A	−179.49 (16)	O1A—C1A—C6A—C5A	178.65 (16)
O2A—N1A—C4A—C5A	−179.82 (16)	C2A—C1A—C6A—C5A	−0.3 (3)
O3A—N1A—C4A—C5A	−0.7 (3)	C4A—C3A—C2A—C1A	−1.0 (3)
O2A—N1A—C4A—C3A	−0.3 (3)	O1A—C1A—C2A—C3A	−177.71 (16)
O3A—N1A—C4A—C3A	178.78 (17)	C6A—C1A—C2A—C3A	1.2 (3)

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

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O3W—H9···O1A^i	0.84 (3)	2.00 (3)	2.828 (2)	166 (3)
O3W—H10···O1B^i	0.85 (3)	1.93 (3)	2.765 (2)	168 (2)
O5W—H11···O8W	0.86 (3)	1.92 (3)	2.769 (2)	170 (3)
O5W—H12···O3A^iii	0.80 (3)	2.12 (3)	2.916 (2)	171 (3)
O7W—H13···O1B^i	0.82 (3)	1.97 (3)	2.781 (2)	167 (2)
O1W—H14···O6W	0.86 (3)	1.93 (3)	2.763 (2)	164 (2)
O6W—H15···O2B^iii	0.86 (3)	2.11 (3)	2.924 (2)	158 (3)
O2W—H16···O1A^iv	0.86 (3)	2.00 (3)	2.857 (2)	176 (3)
O7W—H17···O3B^v	0.85 (3)	2.05 (3)	2.891 (2)	170 (2)
O6W—H18···O1W^vi	0.83 (3)	1.96 (3)	2.778 (2)	166 (3)
O1W—H19···O1B^vii	0.81 (3)	2.01 (3)	2.753 (2)	153 (3)
O2W—H20···O2A^iii	0.82 (3)	2.10 (3)	2.908 (2)	170 (3)
O8W—H21···O1A	0.79 (3)	2.01 (3)	2.781 (2)	164 (3)
O8W—H22···O4W^viii	0.81 (3)	1.99 (3)	2.791 (2)	171 (3)
O4W—H23···O1A^i	0.91 (3)	1.85 (3)	2.744 (2)	171 (2)
O4W—H24···O1B^ix	0.83 (3)	2.04 (3)	2.856 (2)	168 (3)

Symmetry codes: (i) −x+1, −y+2, −z; (iii) −x+1, y−1/2, −z+1/2; (iv) x, y−1, z; (v) x−1, −y+3/2, z−1/2; (vi) −x, −y+1, −z; (vii) x−1, y, z; (viii) x, y+1, z; (ix) −x+1, −y+1, −z.