Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803015836/cf6264sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536803015836/cf6264Isup2.hkl |
CCDC reference: 222813
0.4419 g (1.04 mmol) of UO2(CH3CO2)2·2H2O, 0.3001 g (3.06 mmol) of H2SO4, 0.024 g (0.211 mmol) of 1,4-diaminocyclohexane and 1.0002 g (55.5 mmol) of water were placed in a 23 ml teflon-lined autoclave. The autoclave was heated to 453 K for 24 h, at which point it was slowly cooled to 297 K over an additional 24 h. The autoclave was opened in air and the products recovered by filtration.
H atoms were positioned geometrically, with bond lengths of 1.00 Å and Uiso set at 1.2Ueq of the carrier atom; the positions were recalculated after each refinement cycle.
Data collection: COLLECT (Nonius, 1997); cell refinement: DENZO and SCALEPACK; data reduction: DENZO and SCALEPACK (Otwinowski & Minor, 1997); program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: CRYSTALS (Watkin et al., 2001); molecular graphics: CAMERON (Watkin et al., 1996); software used to prepare material for publication: CRYSTALS.
(C6H16N2)[UO2(SO4)2]·2H2O | Z = 2 |
Mr = 614.39 | F(000) = 559.718 |
Triclinic, P1 | Dx = 2.508 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 6.7813 (1) Å | Cell parameters from 3432 reflections |
b = 10.0636 (2) Å | θ = 5–27° |
c = 12.9753 (3) Å | µ = 10.30 mm−1 |
α = 76.7537 (7)° | T = 150 K |
β = 75.6074 (7)° | Rod, yellow |
γ = 74.3971 (13)° | 0.50 × 0.06 × 0.04 mm |
V = 813.50 (4) Å3 |
Enraf Nonius Kappa CCD diffractometer | 3353 reflections with I > 3σ(I) |
Graphite monochromator | Rint = 0.020 |
ω scans | θmax = 27.5°, θmin = 5.1° |
Absorption correction: multi-scan (Otwinowski & Minor, 1997) | h = −8→8 |
Tmin = 0.51, Tmax = 0.66 | k = −13→13 |
6840 measured reflections | l = −16→16 |
3700 independent reflections |
Refinement on F2 | Hydrogen site location: inferred from neighbouring sites |
Least-squares matrix: full | H-atom parameters not refined |
R[F2 > 2σ(F2)] = 0.020 | Chebychev polynomial with 5 parameters (Carruthers & Watkin, 1979), 13.4, 18.9, 11.8, 4.59, 1.99 |
wR(F2) = 0.047 | (Δ/σ)max = 0.001 |
S = 0.87 | Δρmax = 1.31 e Å−3 |
3353 reflections | Δρmin = −1.11 e Å−3 |
209 parameters | Extinction correction: Larson (1970), equation 22 |
Primary atom site location: structure-invariant direct methods | Extinction coefficient: 15.9 (15) |
(C6H16N2)[UO2(SO4)2]·2H2O | γ = 74.3971 (13)° |
Mr = 614.39 | V = 813.50 (4) Å3 |
Triclinic, P1 | Z = 2 |
a = 6.7813 (1) Å | Mo Kα radiation |
b = 10.0636 (2) Å | µ = 10.30 mm−1 |
c = 12.9753 (3) Å | T = 150 K |
α = 76.7537 (7)° | 0.50 × 0.06 × 0.04 mm |
β = 75.6074 (7)° |
Enraf Nonius Kappa CCD diffractometer | 3700 independent reflections |
Absorption correction: multi-scan (Otwinowski & Minor, 1997) | 3353 reflections with I > 3σ(I) |
Tmin = 0.51, Tmax = 0.66 | Rint = 0.020 |
6840 measured reflections |
R[F2 > 2σ(F2)] = 0.020 | 209 parameters |
wR(F2) = 0.047 | H-atom parameters not refined |
S = 0.87 | Δρmax = 1.31 e Å−3 |
3353 reflections | Δρmin = −1.11 e Å−3 |
x | y | z | Uiso*/Ueq | ||
U1 | 0.23167 (2) | 0.667358 (14) | −0.165208 (11) | 0.0078 | |
S1 | −0.25911 (13) | 0.54458 (9) | −0.09811 (7) | 0.0111 | |
S2 | 0.25331 (14) | 0.90528 (9) | −0.36488 (7) | 0.0135 | |
O9 | 0.3559 (5) | 0.8790 (4) | −0.4724 (2) | 0.0247 | |
O1 | 0.0897 (4) | 0.7874 (3) | −0.0788 (2) | 0.0165 | |
O2 | 0.3693 (4) | 0.5469 (3) | −0.2532 (2) | 0.0148 | |
O5 | −0.0747 (4) | 0.5985 (3) | −0.1635 (2) | 0.0162 | |
O10 | 0.1602 (5) | 1.0536 (3) | −0.3631 (3) | 0.0217 | |
O7 | 0.4009 (4) | 0.8468 (3) | −0.2883 (2) | 0.0169 | |
O6 | 0.0863 (4) | 0.8228 (3) | −0.3166 (2) | 0.0181 | |
N1 | 0.1853 (5) | 0.2402 (4) | 0.4222 (3) | 0.0180 | |
O8 | −0.2639 (4) | 0.4160 (3) | −0.1297 (2) | 0.0174 | |
O4 | 0.2467 (4) | 0.4785 (3) | −0.0179 (2) | 0.0148 | |
O3 | 0.5512 (4) | 0.6548 (3) | −0.1145 (2) | 0.0159 | |
N2 | 0.4591 (6) | 0.2429 (4) | −0.1654 (3) | 0.0202 | |
C5 | 0.3385 (6) | 0.0279 (4) | −0.0659 (3) | 0.0173 | |
C1 | 0.0918 (6) | 0.3915 (4) | 0.4335 (3) | 0.0158 | |
C6 | 0.6671 (6) | 0.0754 (4) | −0.0409 (3) | 0.0189 | |
C4 | 0.4472 (6) | 0.1393 (4) | −0.0611 (3) | 0.0153 | |
C3 | 0.2290 (6) | 0.4443 (4) | 0.4847 (3) | 0.0179 | |
C2 | −0.1289 (6) | 0.4034 (4) | 0.5006 (3) | 0.0192 | |
O11 | 0.1043 (5) | 0.2817 (3) | −0.2505 (3) | 0.0245 | |
O12 | 0.2903 (5) | 0.9040 (4) | −0.6784 (3) | 0.0333 | |
H17 | 0.4188 | −0.0234 | −0.1270 | 0.0217* | |
H18 | 0.1935 | 0.0719 | −0.0781 | 0.0217* | |
H8 | 0.0829 | 0.4523 | 0.3609 | 0.0182* | |
H20 | 0.7356 | 0.1512 | −0.0388 | 0.0227* | |
H19 | 0.7515 | 0.0241 | −0.1014 | 0.0227* | |
H16 | 0.3629 | 0.1878 | 0.0008 | 0.0170* | |
H11 | 0.2445 | 0.3844 | 0.5568 | 0.0220* | |
H12 | 0.3717 | 0.4391 | 0.4368 | 0.0220* | |
H10 | −0.1232 | 0.3429 | 0.5735 | 0.0232* | |
H9 | −0.2154 | 0.3702 | 0.4637 | 0.0232* | |
H6 | 0.3308 | 0.2309 | 0.3780 | 0.0218* | |
H5 | 0.1904 | 0.1813 | 0.4956 | 0.0218* | |
H7 | 0.0985 | 0.2067 | 0.3859 | 0.0218* | |
H14 | 0.3151 | 0.2865 | −0.1799 | 0.0237* | |
H15 | 0.5259 | 0.3182 | −0.1606 | 0.0237* | |
H13 | 0.5444 | 0.1937 | −0.2264 | 0.0237* | |
H2 | 0.1336 | 0.1940 | −0.2808 | 0.0292* | |
H1 | −0.0423 | 0.2999 | −0.2081 | 0.0292* | |
H3 | 0.1379 | 0.9318 | −0.6794 | 0.0389* | |
H4 | 0.3110 | 0.8685 | −0.6025 | 0.0389* |
U11 | U22 | U33 | U12 | U13 | U23 | |
U1 | 0.00624 (8) | 0.00908 (8) | 0.00811 (8) | −0.00227 (4) | −0.00245 (4) | −0.00009 (4) |
S1 | 0.0087 (4) | 0.0130 (4) | 0.0119 (4) | −0.0040 (3) | −0.0033 (3) | 0.0003 (3) |
S2 | 0.0152 (4) | 0.0124 (4) | 0.0128 (4) | −0.0040 (3) | −0.0048 (3) | 0.0014 (3) |
O9 | 0.0295 (16) | 0.0301 (17) | 0.0153 (14) | −0.0085 (13) | −0.0032 (12) | −0.0044 (12) |
O1 | 0.0179 (13) | 0.0161 (13) | 0.0164 (13) | −0.002 (1) | −0.0052 (11) | −0.0045 (11) |
O2 | 0.0159 (13) | 0.0140 (13) | 0.0138 (12) | −0.004 (1) | −0.002 (1) | −0.002 (1) |
O5 | 0.0141 (13) | 0.0232 (14) | 0.0134 (12) | −0.0101 (11) | −0.004 (1) | 0.0011 (11) |
O10 | 0.0246 (15) | 0.0151 (14) | 0.0246 (15) | −0.0033 (11) | −0.0090 (12) | 0.0011 (11) |
O7 | 0.0165 (13) | 0.0182 (14) | 0.0175 (13) | −0.0068 (11) | −0.0070 (11) | 0.0016 (11) |
O6 | 0.0178 (13) | 0.0162 (13) | 0.0215 (14) | −0.0075 (11) | −0.0084 (11) | 0.0038 (11) |
N1 | 0.0192 (16) | 0.0160 (16) | 0.0192 (16) | −0.0035 (13) | −0.0048 (13) | −0.0035 (13) |
O8 | 0.0155 (13) | 0.0155 (13) | 0.0229 (14) | −0.005 (1) | −0.0046 (11) | −0.0044 (11) |
O4 | 0.0154 (13) | 0.0172 (13) | 0.0111 (12) | −0.004 (1) | −0.005 (1) | 0.002 (1) |
O3 | 0.0142 (13) | 0.0134 (13) | 0.0189 (13) | 0.000 (1) | −0.006 (1) | −0.001 (1) |
N2 | 0.0222 (17) | 0.0143 (16) | 0.0231 (18) | −0.0044 (13) | −0.0063 (14) | 0.0006 (13) |
C5 | 0.0175 (18) | 0.0159 (18) | 0.0227 (19) | −0.0059 (14) | −0.0085 (15) | −0.0040 (15) |
C1 | 0.0144 (17) | 0.0150 (17) | 0.0180 (18) | −0.0025 (14) | −0.0045 (14) | −0.0027 (14) |
C6 | 0.0198 (19) | 0.0163 (18) | 0.0222 (19) | −0.0068 (15) | −0.0069 (15) | −0.0001 (15) |
C4 | 0.0178 (18) | 0.0093 (16) | 0.0169 (18) | −0.0011 (13) | −0.0024 (14) | −0.0021 (13) |
C3 | 0.0126 (17) | 0.0194 (19) | 0.0227 (19) | −0.0025 (14) | −0.0042 (14) | −0.0062 (15) |
C2 | 0.0182 (19) | 0.0200 (19) | 0.0212 (19) | −0.0080 (15) | −0.0020 (15) | −0.0049 (15) |
O11 | 0.0214 (15) | 0.0252 (16) | 0.0263 (16) | −0.0022 (12) | −0.0044 (12) | −0.0073 (13) |
O12 | 0.0248 (17) | 0.051 (2) | 0.0213 (16) | −0.0002 (15) | −0.0058 (13) | −0.0087 (15) |
U1—O1 | 1.761 (3) | C5—C6iv | 1.529 (6) |
U1—O2 | 1.771 (3) | O11—H1 | 1.000 |
U1—O3 | 2.381 (3) | O11—H2 | 1.000 |
U1—O4 | 2.367 (3) | O12—H3 | 0.998 |
U1—O5 | 2.354 (3) | O12—H4 | 0.999 |
U1—O6 | 2.450 (3) | N1—H5 | 1.003 |
U1—O7 | 2.451 (3) | N1—H6 | 1.002 |
S1—O3i | 1.480 (3) | N1—H7 | 1.000 |
S1—O4ii | 1.489 (3) | N2—H13 | 1.002 |
S1—O5 | 1.485 (3) | N2—H14 | 1.002 |
S1—O8 | 1.454 (3) | N2—H15 | 1.002 |
S2—O6 | 1.510 (3) | C1—H8 | 1.004 |
S2—O7 | 1.498 (3) | C2—H9 | 1.001 |
S2—O9 | 1.445 (3) | C2—H10 | 1.004 |
S2—O10 | 1.459 (3) | C3—H11 | 1.003 |
N1—C1 | 1.510 (5) | C3—H12 | 1.007 |
N2—C4 | 1.506 (5) | C4—H16 | 1.005 |
C1—C2 | 1.522 (5) | C5—H17 | 1.007 |
C1—C3 | 1.524 (5) | C5—H18 | 1.000 |
C2iii—C3 | 1.536 (6) | C6—H19 | 1.007 |
C4—C5 | 1.517 (5) | C6—H20 | 1.002 |
C4—C6 | 1.519 (5) | ||
O1—U1—O2 | 178.73 (13) | N2—C4—C6 | 108.7 (3) |
O1—U1—O3 | 92.29 (11) | C5—C4—C6 | 111.6 (3) |
O1—U1—O4 | 91.55 (11) | C4—C5—C6iv | 108.4 (3) |
O1—U1—O5 | 90.89 (12) | C4—C6—C5iv | 110.4 (3) |
O1—U1—O6 | 90.48 (12) | C1—N1—H5 | 109.552 |
O1—U1—O7 | 91.12 (12) | C1—N1—H6 | 109.678 |
O2—U1—O3 | 88.97 (11) | C1—N1—H7 | 109.968 |
O2—U1—O4 | 88.81 (11) | H5—N1—H6 | 109.057 |
O2—U1—O5 | 87.97 (11) | H5—N1—H7 | 109.274 |
O2—U1—O6 | 88.67 (11) | H6—N1—H7 | 109.293 |
O2—U1—O7 | 89.22 (11) | C4—N2—H13 | 109.612 |
O3—U1—O4 | 76.52 (9) | C4—N2—H14 | 109.854 |
O3—U1—O5 | 157.2 (1) | C4—N2—H15 | 109.942 |
O3—U1—O6 | 128.23 (9) | H13—N2—H14 | 109.146 |
O3—U1—O7 | 71.36 (9) | H13—N2—H15 | 109.134 |
O4—U1—O5 | 80.81 (9) | H14—N2—H15 | 109.132 |
O4—U1—O6 | 155.06 (9) | N1—C1—H8 | 110.892 |
O4—U1—O7 | 147.84 (9) | C2—C1—H8 | 107.993 |
O5—U1—O6 | 74.31 (9) | C3—C1—H8 | 107.522 |
O5—U1—O7 | 131.18 (9) | C1—C2—H9 | 109.473 |
O6—U1—O7 | 56.91 (9) | C1—C2—H10 | 109.107 |
O3i—S1—O4ii | 107.76 (16) | C3iii—C2—H9 | 109.583 |
O3i—S1—O5 | 107.99 (17) | C3iii—C2—H10 | 109.069 |
O3i—S1—O8 | 111.13 (16) | H9—C2—H10 | 109.067 |
O4ii—S1—O5 | 107.95 (15) | C1—C3—H11 | 109.818 |
O4ii—S1—O8 | 111.40 (17) | C1—C3—H12 | 109.724 |
O5—S1—O8 | 110.47 (17) | C2iii—C3—H11 | 109.486 |
O6—S2—O7 | 101.85 (16) | C2iii—C3—H12 | 109.541 |
O6—S2—O9 | 111.16 (18) | H11—C3—H12 | 108.679 |
O6—S2—O10 | 109.02 (17) | N2—C4—H16 | 110.272 |
O7—S2—O9 | 110.66 (18) | C5—C4—H16 | 107.208 |
O7—S2—O10 | 111.43 (17) | C6—C4—H16 | 108.670 |
O9—S2—O10 | 112.26 (19) | C4—C5—H17 | 109.614 |
U1—O3—S1v | 135.88 (17) | C4—C5—H18 | 110.294 |
U1—O4—S1ii | 137.50 (17) | C6iv—C5—H17 | 109.325 |
U1—O5—S1 | 147.46 (17) | C6iv—C5—H18 | 110.295 |
U1—O6—S2 | 100.44 (14) | H17—C5—H18 | 108.902 |
U1—O7—S2 | 100.74 (14) | C4—C6—H19 | 109.221 |
N1—C1—C2 | 108.8 (3) | C4—C6—H20 | 109.862 |
N1—C1—C3 | 109.9 (3) | C5iv—C6—H19 | 108.934 |
C2—C1—C3 | 111.7 (3) | C5iv—C6—H20 | 109.716 |
C1—C2—C3iii | 110.5 (3) | H19—C6—H20 | 108.702 |
C1—C3—C2iii | 109.6 (3) | H2—O11—H1 | 109.438 |
N2—C4—C5 | 110.4 (3) | H3—O12—H4 | 109.765 |
Symmetry codes: (i) x−1, y, z; (ii) −x, −y+1, −z; (iii) −x, −y+1, −z+1; (iv) −x+1, −y, −z; (v) x+1, y, z. |
Experimental details
Crystal data | |
Chemical formula | (C6H16N2)[UO2(SO4)2]·2H2O |
Mr | 614.39 |
Crystal system, space group | Triclinic, P1 |
Temperature (K) | 150 |
a, b, c (Å) | 6.7813 (1), 10.0636 (2), 12.9753 (3) |
α, β, γ (°) | 76.7537 (7), 75.6074 (7), 74.3971 (13) |
V (Å3) | 813.50 (4) |
Z | 2 |
Radiation type | Mo Kα |
µ (mm−1) | 10.30 |
Crystal size (mm) | 0.50 × 0.06 × 0.04 |
Data collection | |
Diffractometer | Enraf Nonius Kappa CCD diffractometer |
Absorption correction | Multi-scan (Otwinowski & Minor, 1997) |
Tmin, Tmax | 0.51, 0.66 |
No. of measured, independent and observed [I > 3σ(I)] reflections | 6840, 3700, 3353 |
Rint | 0.020 |
(sin θ/λ)max (Å−1) | 0.650 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.020, 0.047, 0.87 |
No. of reflections | 3353 |
No. of parameters | 209 |
No. of restraints | ? |
H-atom treatment | H-atom parameters not refined |
Δρmax, Δρmin (e Å−3) | 1.31, −1.11 |
Computer programs: COLLECT (Nonius, 1997), DENZO and SCALEPACK (Otwinowski & Minor, 1997), SIR92 (Altomare et al., 1994), CRYSTALS (Watkin et al., 2001), CAMERON (Watkin et al., 1996), CRYSTALS.
U1—O1 | 1.761 (3) | S1—O4ii | 1.489 (3) |
U1—O2 | 1.771 (3) | S1—O5 | 1.485 (3) |
U1—O3 | 2.381 (3) | S1—O8 | 1.454 (3) |
U1—O4 | 2.367 (3) | S2—O6 | 1.510 (3) |
U1—O5 | 2.354 (3) | S2—O7 | 1.498 (3) |
U1—O6 | 2.450 (3) | S2—O9 | 1.445 (3) |
U1—O7 | 2.451 (3) | S2—O10 | 1.459 (3) |
S1—O3i | 1.480 (3) | ||
O1—U1—O2 | 178.73 (13) | O4ii—S1—O5 | 107.95 (15) |
O1—U1—O3 | 92.29 (11) | O4ii—S1—O8 | 111.40 (17) |
O1—U1—O4 | 91.55 (11) | O5—S1—O8 | 110.47 (17) |
O1—U1—O5 | 90.89 (12) | O6—S2—O7 | 101.85 (16) |
O1—U1—O6 | 90.48 (12) | O6—S2—O9 | 111.16 (18) |
O1—U1—O7 | 91.12 (12) | O6—S2—O10 | 109.02 (17) |
O2—U1—O3 | 88.97 (11) | O7—S2—O9 | 110.66 (18) |
O2—U1—O4 | 88.81 (11) | O7—S2—O10 | 111.43 (17) |
O2—U1—O5 | 87.97 (11) | O9—S2—O10 | 112.26 (19) |
O2—U1—O6 | 88.67 (11) | U1—O3—S1iii | 135.88 (17) |
O2—U1—O7 | 89.22 (11) | U1—O4—S1ii | 137.50 (17) |
O3—U1—O4 | 76.52 (9) | U1—O5—S1 | 147.46 (17) |
O3—U1—O5 | 157.2 (1) | U1—O6—S2 | 100.44 (14) |
O3—U1—O6 | 128.23 (9) | U1—O7—S2 | 100.74 (14) |
O3—U1—O7 | 71.36 (9) | N1—C1—C2 | 108.8 (3) |
O4—U1—O5 | 80.81 (9) | N1—C1—C3 | 109.9 (3) |
O4—U1—O6 | 155.06 (9) | C2—C1—C3 | 111.7 (3) |
O4—U1—O7 | 147.84 (9) | C1—C2—C3iv | 110.5 (3) |
O5—U1—O6 | 74.31 (9) | C1—C3—C2iv | 109.6 (3) |
O5—U1—O7 | 131.18 (9) | N2—C4—C5 | 110.4 (3) |
O6—U1—O7 | 56.91 (9) | N2—C4—C6 | 108.7 (3) |
O3i—S1—O4ii | 107.76 (16) | C5—C4—C6 | 111.6 (3) |
O3i—S1—O5 | 107.99 (17) | C4—C5—C6v | 108.4 (3) |
O3i—S1—O8 | 111.13 (16) | C4—C6—C5v | 110.4 (3) |
Symmetry codes: (i) x−1, y, z; (ii) −x, −y+1, −z; (iii) x+1, y, z; (iv) −x, −y+1, −z+1; (v) −x+1, −y, −z. |
The chemistry of open-framework metal phosphates is well known (Cheetham et al., 1999). Despite the depth of this investigation, little effort has been expended upon the analogous sulfate systems. Reports of organically templated metal sulfates have only appeared in the literature in the last two years. Compounds incorporating Sc (Bull et al., 2002), V (Paul, Chaudhury, Nagarajan & Rao, 2003; Khan et al., 1999), Cd (Paul et al., 2002b; Choudhury et al., 2001), Fe (Paul et al., 2002, 2002a; Paul, Choudhury & Rao, 2003), Ce (Wang et al., 2002), La (Bataille & Louer, 2002; Xing et al., 2003) and U (Doran et al., 2002, 2003; Norquist et al., 2002, 2003; Thomas et al., 2003) are known. These compounds exhibit great structural diversity, with structures ranging from molecular anions to three-dimensional microporous materials. This report contains the synthesis and structure of an organically templated uranium(VI) sulfate, [C6H16N2][UO2(SO4)2], (I), denoted USO-23 (uranium sulfate from Oxford).
One distinct uranium environment is observed in USO-23. U1 is seven-coordinate in a pentagonal bipyramidal geometry. It is bound to two oxide ligands through short `uranyl' bonds. The U1═O1 and U1═O2 distances are 1.761 (3) and 1.771 (3) Å, respectively; these distance are close to the average reported value of 1.758 (4) Å (Burns et al., 1997), and the O1—U1—O2 angle is close to linear, with a value of 178.73 (13)°. The five equatorial coordination sites are occupied by O atoms that belong to the sulfates·Atoms O3, O4 and O5 bridge to different sulfur centres, through U—O distances ranging between 2.354 (3) and 2.381 (3) Å. The remaining two O atoms are bound to a single sulfur centre. These U—O bonds are longer, with distances of 2.450 (3) and 2.451 (3) Å to O6 and O7, respectively. Two different sulfur environments are present in USO-23. Both S1 and S2 are bound to four O atoms in a tetrahedral fashion. However, the tetrahedron containing S1 bridges between three adjacent uranium centres, each through a single shared corner, while the S2 tetrahedra share an edge with a single uranium centre. The bridging O atoms exhibit longer S—O bonds, with lengths ranging between 1.480 (3) and 1.510 (3) Å, than the terminal O atoms. These S—Oterm bonds have lengths ranging between 1.445 (3) and 1.459 (3) Å.
The [UO7] and [SO4] polyhedra share three corners with one another, creating one-dimensional chains (Fig. 1). The formula of the chain backbone is [UO2(SO4)3/3]. This chain type is known in uranium chemistry (Norquist et al., 2003; Doran et al., 2003; Brandeburg & Loopstra, 1973; van der Putten & Loopstra, 1974; Zalkin et al., 1978; Serezhkin et al., 1981). The two non-backbone equatorial coordination sites on each [UO7] polyhedron are occupied by an edge-shared sulfate anion. The protonated 1,4-diaminocyclohexane cations, (C6H16N2)2+, reside between chains, balancing the charge (Fig. 2). A displacement ellipsoid plot is shown in Fig. 3.