Two novel bimetallic transition metal–uranyl one-dimensional coordination polymers with manganese(II) and cobalt(II) incorporating bridging diglycolate (2,2′-oxydi­acetate) ligands

The crystal structures of two new bimetallic uranyl–transition metal compounds with diglycolic acid [or 2-(carb­oxy­meth­oxy)acetic acid] have been hydro­thermally synthesized and structurally characterized via single-crystal X-ray diffraction. The compounds, namely catena-poly[[[tetra­aqua­manganese(II)]-μ-2,2′-oxydi­acetato-[dioxidouranium(VI)]-μ-2,2′-oxydi­acetato] dihydrate], {[MnU(C₄H₄O₅)₂O₂(H₂O)₄]·2H₂O}_n, and catena-poly[[[tetra­aqua­cobalt(II)]-μ-2,2′-oxy­di­acetato-[dioxidouranium(VI)]-μ-2,2′-oxydi­acetato] dihydrate], {[CoU(C₄H₄O₅)₂O₂(H₂O)₄]·2H₂O}_n, both crystallize in the triclinic space group P. These compounds form one-dimensional chains via alternating uranyl and transition metal building units. The chains then assemble into three-dimensional supra­molecular networks through several hydrogen bonds between water mol­ecules and diglycolate ligands. Luminescence measurements were conducted and no uranyl emission was observed in either compound.

Computing details

For both structures, data collection: APEX3 (Bruker, 2016); cell refinement: SAINT (Bruker, 2005); data reduction: SAINT (Bruker, 2005); program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015); molecular graphics: CrystalMaker (Palmer, 2014); software used to prepare material for publication: WinGX (Farrugia, 2012), PLATON (Spek, 2009) and publCIF (Westrip, 2010).

catena-Poly[[[tetraaquamanganese(II)]-µ-2,2'-oxydiacetato-[dioxidouranium(VI)]-µ-2,2'-oxydiacetato] dihydrate] (compound_1)

Crystal data

[MnU(C4H4O5)2O2(H2O)4]·2H2O	Z = 1
Mr = 697.21	F(000) = 329
Triclinic, P1	Dx = 2.458 Mg m^−3
a = 6.997 (2) Å	Mo Kα radiation, λ = 0.71073 Å
b = 7.185 (3) Å	Cell parameters from 9945 reflections
c = 11.043 (3) Å	θ = 3.3–29.6°
α = 106.356 (12)°	µ = 9.35 mm^−1
β = 93.891 (10)°	T = 100 K
γ = 115.130 (16)°	Rod, yellow
V = 470.9 (3) Å^3	0.20 × 0.13 × 0.08 mm

Data collection

Bruker D8 Quest/Photon 100 diffractometer	2656 reflections with I > 2σ(I)
Radiation source: microfocus sealed tube, multilayer mirrors	Rint = 0.031
ω scans	θmax = 29.7°, θmin = 3.3°
Absorption correction: multi-scan (SADABS; Sheldrick, 1999)	h = −9→9
Tmin = 0.315, Tmax = 0.661	k = −10→9
20833 measured reflections	l = −15→15
2656 independent reflections

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	Hydrogen site location: mixed
R[F^2 > 2σ(F^2)] = 0.011	H atoms treated by a mixture of independent and constrained refinement
wR(F^2) = 0.028	w = 1/[σ^2(Fo^2) + (0.0175P)^2 + 0.0378P] where P = (Fo^2 + 2Fc^2)/3
S = 1.13	(Δ/σ)max = 0.001
2656 reflections	Δρmax = 0.51 e Å^−3
148 parameters	Δρmin = −1.16 e Å^−3

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

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

	x	y	z	Uiso*/Ueq
U1	0.5000	0.5000	0.5000	0.00443 (3)
Mn1	1.0000	1.0000	1.0000	0.00682 (6)
O1	0.31002 (19)	0.3395 (2)	0.57390 (12)	0.0106 (2)
OW2	1.32207 (19)	1.0815 (2)	1.08513 (12)	0.0106 (2)
O2	1.00113 (19)	0.71391 (19)	0.86352 (11)	0.0098 (2)
OW1	1.1330 (2)	1.1991 (2)	0.87771 (12)	0.0114 (2)
O3	0.7745 (2)	0.6728 (2)	0.69443 (12)	0.0122 (2)
O4	0.75987 (19)	0.33328 (19)	0.54865 (11)	0.0104 (2)
O5	0.57021 (19)	−0.08790 (19)	0.24614 (11)	0.0111 (2)
O6	0.4839 (2)	0.1738 (2)	0.34434 (12)	0.0108 (2)
C1	0.8895 (2)	0.6136 (3)	0.75043 (15)	0.0072 (3)
C2	0.8952 (3)	0.4083 (3)	0.67277 (15)	0.0088 (3)
H2A	1.0448	0.4392	0.6646	0.011*
H2B	0.8402	0.2964	0.7147	0.011*
C3	0.7647 (3)	0.1498 (3)	0.45938 (15)	0.0083 (3)
H3A	0.7332	0.0326	0.4968	0.010*
H3B	0.9092	0.1926	0.4382	0.010*
C4	0.5946 (2)	0.0703 (3)	0.33929 (15)	0.0070 (3)
OW3	0.3221 (2)	0.6470 (2)	−0.00954 (13)	0.0119 (2)
HW2B	1.364 (4)	1.113 (4)	1.159 (3)	0.018*
HW2A	1.425 (4)	1.158 (4)	1.065 (3)	0.018*
HW1B	1.196 (4)	1.335 (5)	0.915 (3)	0.018*
HW1A	1.208 (4)	1.175 (4)	0.830 (3)	0.018*
HW3A	0.373 (4)	0.723 (4)	0.068 (3)	0.018*
HW3B	0.232 (4)	0.680 (4)	−0.032 (3)	0.018*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
U1	0.00530 (4)	0.00439 (4)	0.00343 (4)	0.00323 (3)	−0.00019 (3)	−0.00020 (3)
Mn1	0.00759 (14)	0.00642 (14)	0.00551 (14)	0.00411 (12)	−0.00027 (11)	−0.00025 (12)
O1	0.0112 (5)	0.0106 (5)	0.0116 (5)	0.0060 (4)	0.0038 (4)	0.0043 (4)
OW2	0.0086 (5)	0.0146 (6)	0.0068 (5)	0.0051 (5)	−0.0002 (4)	0.0021 (4)
O2	0.0113 (5)	0.0096 (5)	0.0064 (5)	0.0062 (4)	−0.0022 (4)	−0.0013 (4)
OW1	0.0152 (5)	0.0096 (6)	0.0106 (5)	0.0070 (5)	0.0045 (5)	0.0026 (4)
O3	0.0148 (5)	0.0114 (5)	0.0098 (5)	0.0098 (5)	−0.0031 (4)	−0.0019 (4)
O4	0.0149 (5)	0.0104 (5)	0.0056 (5)	0.0099 (5)	−0.0031 (4)	−0.0029 (4)
O5	0.0142 (5)	0.0115 (5)	0.0067 (5)	0.0085 (5)	0.0000 (4)	−0.0016 (4)
O6	0.0134 (5)	0.0118 (5)	0.0084 (5)	0.0099 (5)	−0.0013 (4)	−0.0004 (4)
C1	0.0068 (6)	0.0070 (6)	0.0067 (6)	0.0034 (5)	0.0009 (5)	0.0005 (5)
C2	0.0109 (7)	0.0086 (7)	0.0060 (6)	0.0065 (6)	−0.0022 (5)	−0.0011 (5)
C3	0.0111 (7)	0.0078 (7)	0.0066 (6)	0.0069 (6)	0.0006 (5)	−0.0002 (5)
C4	0.0079 (6)	0.0074 (6)	0.0062 (6)	0.0041 (5)	0.0020 (5)	0.0021 (5)
OW3	0.0123 (5)	0.0107 (5)	0.0115 (6)	0.0066 (5)	−0.0006 (4)	0.0006 (5)

Geometric parameters (Å, º)

U1—O1^i	1.7715 (13)	O2—C1	1.2536 (19)
U1—O1	1.7715 (13)	OW1—HW1B	0.84 (3)
U1—O3^i	2.3988 (14)	OW1—HW1A	0.81 (3)
U1—O3	2.3988 (14)	O3—C1	1.258 (2)
U1—O4	2.6664 (13)	O4—C3	1.4215 (19)
U1—O4^i	2.6664 (13)	O4—C2	1.4283 (18)
U1—O6	2.4374 (15)	O5—C4	1.238 (2)
U1—O6^i	2.4374 (15)	O6—C4	1.2763 (19)
Mn1—O2	2.1835 (14)	C1—C2	1.502 (2)
Mn1—O2^ii	2.1835 (14)	C2—H2A	0.9900
Mn1—OW1^ii	2.2053 (14)	C2—H2B	0.9900
Mn1—OW1	2.2053 (14)	C3—C4	1.511 (2)
Mn1—OW2^ii	2.1417 (13)	C3—H3A	0.9900
Mn1—OW2	2.1417 (13)	C3—H3B	0.9900
OW2—HW2B	0.78 (3)	OW3—HW3A	0.83 (3)
OW2—HW2A	0.79 (3)	OW3—HW3B	0.81 (3)
O1^i—U1—O1	180.00 (8)	O2^ii—Mn1—OW1^ii	92.01 (6)
O1^i—U1—O3^i	91.23 (6)	OW2^ii—Mn1—OW1	90.67 (5)
O1—U1—O3^i	88.77 (6)	OW2—Mn1—OW1	89.33 (5)
O1^i—U1—O3	88.76 (6)	O2—Mn1—OW1	92.01 (6)
O1—U1—O3	91.24 (6)	O2^ii—Mn1—OW1	87.99 (6)
O3^i—U1—O3	180.0	OW1^ii—Mn1—OW1	180.0
O1^i—U1—O6	88.72 (6)	Mn1—OW2—HW2B	123.8 (19)
O1—U1—O6	91.28 (6)	Mn1—OW2—HW2A	122.6 (19)
O3^i—U1—O6	63.74 (4)	HW2B—OW2—HW2A	102 (3)
O3—U1—O6	116.26 (4)	C1—O2—Mn1	125.01 (11)
O1^i—U1—O6^i	91.28 (6)	Mn1—OW1—HW1B	116.6 (17)
O1—U1—O6^i	88.72 (6)	Mn1—OW1—HW1A	121.6 (18)
O3^i—U1—O6^i	116.26 (4)	HW1B—OW1—HW1A	105 (2)
O3—U1—O6^i	63.74 (4)	C1—O3—U1	134.41 (11)
O6—U1—O6^i	180.00 (6)	C3—O4—C2	112.86 (12)
O1^i—U1—O4	90.18 (5)	C3—O4—U1	124.24 (9)
O1—U1—O4	89.82 (5)	C2—O4—U1	122.66 (9)
O3^i—U1—O4	121.89 (4)	C4—O6—U1	134.50 (10)
O3—U1—O4	58.11 (4)	O2—C1—O3	125.34 (15)
O6—U1—O4	58.23 (4)	O2—C1—C2	118.26 (14)
O6^i—U1—O4	121.77 (4)	O3—C1—C2	116.39 (14)
O1^i—U1—O4^i	89.82 (5)	O4—C2—C1	106.18 (12)
O1—U1—O4^i	90.18 (5)	O4—C2—H2A	110.5
O3^i—U1—O4^i	58.11 (4)	C1—C2—H2A	110.5
O3—U1—O4^i	121.89 (4)	O4—C2—H2B	110.5
O6—U1—O4^i	121.77 (4)	C1—C2—H2B	110.5
O6^i—U1—O4^i	58.23 (4)	H2A—C2—H2B	108.7
O4—U1—O4^i	180.0	O4—C3—C4	107.21 (12)
OW2^ii—Mn1—OW2	180.0	O4—C3—H3A	110.3
OW2^ii—Mn1—O2	94.72 (5)	C4—C3—H3A	110.3
OW2—Mn1—O2	85.28 (5)	O4—C3—H3B	110.3
OW2^ii—Mn1—O2^ii	85.28 (5)	C4—C3—H3B	110.3
OW2—Mn1—O2^ii	94.72 (5)	H3A—C3—H3B	108.5
O2—Mn1—O2^ii	180.00 (6)	O5—C4—O6	125.20 (15)
OW2^ii—Mn1—OW1^ii	89.33 (5)	O5—C4—C3	119.22 (14)
OW2—Mn1—OW1^ii	90.67 (5)	O6—C4—C3	115.57 (14)
O2—Mn1—OW1^ii	87.99 (6)	HW3A—OW3—HW3B	105 (3)
Mn1—O2—C1—O3	6.5 (2)	O3—C1—C2—O4	0.21 (19)
Mn1—O2—C1—C2	−174.91 (10)	C2—O4—C3—C4	172.81 (13)
U1—O3—C1—O2	−167.43 (12)	U1—O4—C3—C4	−1.70 (17)
U1—O3—C1—C2	14.0 (2)	U1—O6—C4—O5	−174.84 (11)
C3—O4—C2—C1	174.44 (13)	U1—O6—C4—C3	6.3 (2)
U1—O4—C2—C1	−10.96 (16)	O4—C3—C4—O5	178.97 (14)
O2—C1—C2—O4	−178.47 (14)	O4—C3—C4—O6	−2.08 (19)

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

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
OW1—HW1A···O5^iii	0.81 (3)	2.05 (3)	2.8288 (19)	162 (2)
OW1—HW1B···OW3^iv	0.84 (3)	1.91 (3)	2.750 (2)	175 (3)
OW2—HW2A···OW3^v	0.79 (3)	2.00 (3)	2.788 (2)	178 (3)
OW2—HW2B···O3^ii	0.78 (3)	2.45 (3)	2.8837 (19)	117 (2)
OW2—HW2B···O6^iv	0.78 (3)	2.01 (3)	2.7872 (19)	174 (3)
OW3—HW3A···O5^vi	0.83 (3)	2.04 (3)	2.8480 (19)	165 (2)
OW3—HW3B···OW2^vii	0.81 (3)	2.57 (3)	3.000 (2)	114 (2)
OW3—HW3B···O2^vii	0.81 (3)	2.06 (3)	2.8478 (19)	165 (3)

Symmetry codes: (ii) −x+2, −y+2, −z+2; (iii) −x+2, −y+1, −z+1; (iv) x+1, y+1, z+1; (v) −x+2, −y+2, −z+1; (vi) x, y+1, z; (vii) x−1, y, z−1.

catena-Poly[[[tetraaquacobalt(II)]-µ-2,2'-oxydiacetato-[dioxidouranium(VI)]-µ-2,2'-oxydiacetato] dihydrate] (compound_2)

Crystal data

[CoU(C4H4O5)2O2(H2O)4]·2H2O	Z = 1
Mr = 701.20	F(000) = 331
Triclinic, P1	Dx = 2.473 Mg m^−3
a = 6.997 (2) Å	Mo Kα radiation, λ = 0.71073 Å
b = 7.185 (3) Å	Cell parameters from 9382 reflections
c = 11.043 (3) Å	θ = 3.3–29.6°
α = 106.356 (12)°	µ = 9.56 mm^−1
β = 93.891 (10)°	T = 100 K
γ = 115.130 (16)°	Block, yellow
V = 470.9 (3) Å^3	0.26 × 0.21 × 0.19 mm

Data collection

Bruker D8 Quest/Photon 100 diffractometer	2596 reflections with I > 2σ(I)
Radiation source: microfocus sealed tube, multilayer mirrors	Rint = 0.048
ω scans	θmax = 29.6°, θmin = 3.3°
Absorption correction: multi-scan (SADABS; Sheldrick, 1999)	h = −9→9
Tmin = 0.209, Tmax = 0.382	k = −8→9
16760 measured reflections	l = −15→15
2596 independent reflections

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	Hydrogen site location: mixed
R[F^2 > 2σ(F^2)] = 0.017	H atoms treated by a mixture of independent and constrained refinement
wR(F^2) = 0.040	w = 1/[σ^2(Fo^2) + (0.0175P)^2 + 0.0378P] where P = (Fo^2 + 2Fc^2)/3
S = 1.27	(Δ/σ)max = 0.027
2596 reflections	Δρmax = 0.78 e Å^−3
148 parameters	Δρmin = −2.07 e Å^−3

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

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

	x	y	z	Uiso*/Ueq
U1	0.5000	0.5000	0.5000	0.00469 (4)
Co1	1.0000	1.0000	1.0000	0.00626 (8)
O1	0.3078 (3)	0.3366 (3)	0.57473 (16)	0.0108 (3)
OW2	1.3095 (3)	1.0786 (3)	1.08379 (16)	0.0099 (3)
O2	1.0003 (3)	0.7221 (3)	0.86811 (16)	0.0096 (3)
OW1	1.1256 (3)	1.1923 (3)	0.88058 (16)	0.0109 (3)
O3	0.7765 (3)	0.6792 (3)	0.69554 (16)	0.0125 (3)
O4	0.7624 (3)	0.3373 (3)	0.55069 (15)	0.0106 (3)
O5	0.5763 (3)	−0.0853 (3)	0.24531 (15)	0.0116 (3)
O6	0.4832 (3)	0.1711 (3)	0.34431 (17)	0.0119 (3)
C1	0.8910 (3)	0.6208 (3)	0.7536 (2)	0.0078 (4)
C2	0.8986 (3)	0.4146 (4)	0.6762 (2)	0.0092 (4)
H2A	1.0486	0.4466	0.6684	0.011*
H2B	0.8443	0.3032	0.7185	0.011*
C3	0.7684 (4)	0.1539 (4)	0.4610 (2)	0.0087 (4)
H3A	0.7378	0.0370	0.4986	0.010*
H3B	0.9132	0.1979	0.4402	0.010*
C4	0.5975 (3)	0.0716 (3)	0.3393 (2)	0.0074 (4)
OW3	0.3256 (3)	0.6502 (3)	−0.00995 (17)	0.0120 (3)
HW2B	1.345 (6)	1.113 (6)	1.162 (4)	0.018*
HW2A	1.420 (6)	1.160 (6)	1.065 (3)	0.018*
HW1B	1.190 (6)	1.331 (6)	0.917 (3)	0.018*
HW1A	1.194 (5)	1.163 (6)	0.831 (3)	0.018*
HW3A	0.381 (6)	0.735 (6)	0.071 (4)	0.018*
HW3B	0.238 (6)	0.686 (6)	−0.032 (4)	0.018*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
U1	0.00538 (6)	0.00511 (6)	0.00354 (6)	0.00367 (4)	−0.00018 (4)	−0.00028 (4)
Co1	0.00654 (17)	0.00646 (18)	0.00524 (17)	0.00403 (15)	−0.00014 (14)	−0.00007 (14)
O1	0.0124 (7)	0.0115 (7)	0.0108 (7)	0.0074 (6)	0.0033 (6)	0.0037 (6)
OW2	0.0080 (7)	0.0135 (8)	0.0065 (7)	0.0049 (6)	0.0003 (5)	0.0015 (6)
O2	0.0110 (7)	0.0105 (8)	0.0064 (7)	0.0069 (6)	−0.0012 (6)	−0.0007 (6)
OW1	0.0136 (7)	0.0093 (8)	0.0100 (7)	0.0062 (6)	0.0038 (6)	0.0021 (6)
O3	0.0156 (8)	0.0127 (8)	0.0094 (7)	0.0111 (6)	−0.0025 (6)	−0.0016 (6)
O4	0.0150 (7)	0.0108 (7)	0.0056 (7)	0.0099 (6)	−0.0031 (6)	−0.0028 (6)
O5	0.0140 (7)	0.0127 (8)	0.0077 (7)	0.0090 (7)	0.0006 (6)	−0.0013 (6)
O6	0.0134 (7)	0.0147 (8)	0.0090 (7)	0.0103 (7)	−0.0007 (6)	0.0007 (6)
C1	0.0066 (8)	0.0086 (9)	0.0074 (9)	0.0038 (7)	0.0008 (7)	0.0013 (7)
C2	0.0107 (9)	0.0100 (9)	0.0064 (9)	0.0070 (8)	−0.0019 (7)	−0.0006 (7)
C3	0.0101 (9)	0.0086 (9)	0.0074 (9)	0.0067 (8)	0.0004 (7)	−0.0005 (7)
C4	0.0085 (9)	0.0080 (9)	0.0068 (9)	0.0048 (7)	0.0024 (7)	0.0023 (7)
OW3	0.0122 (7)	0.0113 (8)	0.0119 (8)	0.0073 (6)	−0.0002 (6)	0.0011 (6)

Geometric parameters (Å, º)

U1—O1^i	1.7953 (17)	O2—C1	1.262 (3)
U1—O1	1.7953 (17)	OW1—HW1B	0.85 (4)
U1—O3^i	2.4115 (18)	OW1—HW1A	0.79 (4)
U1—O3	2.4115 (18)	O3—C1	1.263 (3)
U1—O4	2.6649 (17)	O4—C3	1.427 (3)
U1—O4^i	2.6649 (17)	O4—C2	1.441 (3)
U1—O6	2.4502 (19)	O5—C4	1.244 (3)
U1—O6^i	2.4502 (19)	O6—C4	1.274 (3)
Co1—O2	2.1151 (18)	C1—C2	1.512 (3)
Co1—O2^ii	2.1151 (18)	C2—H2A	0.9900
Co1—OW1^ii	2.1386 (18)	C2—H2B	0.9900
Co1—OW1	2.1386 (18)	C3—C4	1.523 (3)
Co1—OW2^ii	2.0638 (17)	C3—H3A	0.9900
Co1—OW2	2.0638 (17)	C3—H3B	0.9900
OW2—HW2B	0.82 (4)	OW3—HW3A	0.88 (4)
OW2—HW2A	0.83 (4)	OW3—HW3B	0.81 (4)
O1^i—U1—O1	180.00 (11)	O2^ii—Co1—OW1^ii	92.28 (7)
O1^i—U1—O3^i	91.69 (7)	OW2^ii—Co1—OW1	89.62 (7)
O1—U1—O3^i	88.31 (7)	OW2—Co1—OW1	90.38 (7)
O1^i—U1—O3	88.31 (7)	O2—Co1—OW1	92.28 (7)
O1—U1—O3	91.69 (7)	O2^ii—Co1—OW1	87.72 (7)
O3^i—U1—O3	180.0	OW1^ii—Co1—OW1	180.00 (5)
O1^i—U1—O6	89.18 (7)	Co1—OW2—HW2B	120 (2)
O1—U1—O6	90.82 (7)	Co1—OW2—HW2A	123 (2)
O3^i—U1—O6	63.10 (6)	HW2B—OW2—HW2A	103 (3)
O3—U1—O6	116.90 (6)	C1—O2—Co1	125.81 (15)
O1^i—U1—O6^i	90.82 (7)	Co1—OW1—HW1B	117 (2)
O1—U1—O6^i	89.18 (7)	Co1—OW1—HW1A	121 (3)
O3^i—U1—O6^i	116.90 (6)	HW1B—OW1—HW1A	107 (3)
O3—U1—O6^i	63.10 (6)	C1—O3—U1	134.13 (15)
O6—U1—O6^i	180.00 (8)	C3—O4—C2	113.26 (16)
O1^i—U1—O4	90.23 (7)	C3—O4—U1	123.78 (12)
O1—U1—O4	89.77 (7)	C2—O4—U1	122.74 (12)
O3^i—U1—O4	121.71 (5)	C4—O6—U1	133.98 (15)
O3—U1—O4	58.29 (6)	O2—C1—O3	125.4 (2)
O6—U1—O4	58.68 (6)	O2—C1—C2	118.53 (19)
O6^i—U1—O4	121.32 (6)	O3—C1—C2	116.11 (19)
O1^i—U1—O4^i	89.77 (7)	O4—C2—C1	106.18 (17)
O1—U1—O4^i	90.23 (7)	O4—C2—H2A	110.5
O3^i—U1—O4^i	58.29 (5)	C1—C2—H2A	110.5
O3—U1—O4^i	121.71 (6)	O4—C2—H2B	110.5
O6—U1—O4^i	121.31 (6)	C1—C2—H2B	110.5
O6^i—U1—O4^i	58.68 (6)	H2A—C2—H2B	108.7
O4—U1—O4^i	180.00 (5)	O4—C3—C4	107.73 (17)
OW2^ii—Co1—OW2	180.0	O4—C3—H3A	110.2
OW2^ii—Co1—O2	94.34 (7)	C4—C3—H3A	110.2
OW2—Co1—O2	85.66 (7)	O4—C3—H3B	110.2
OW2^ii—Co1—O2^ii	85.66 (7)	C4—C3—H3B	110.2
OW2—Co1—O2^ii	94.34 (7)	H3A—C3—H3B	108.5
O2—Co1—O2^ii	180.00 (9)	O5—C4—O6	125.1 (2)
OW2^ii—Co1—OW1^ii	90.38 (7)	O5—C4—C3	119.47 (19)
OW2—Co1—OW1^ii	89.62 (7)	O6—C4—C3	115.41 (18)
O2—Co1—OW1^ii	87.72 (7)	HW3A—OW3—HW3B	103 (3)
Co1—O2—C1—O3	6.0 (3)	O3—C1—C2—O4	−0.7 (3)
Co1—O2—C1—C2	−175.44 (14)	C2—O4—C3—C4	172.88 (17)
U1—O3—C1—O2	−165.78 (16)	U1—O4—C3—C4	−1.8 (2)
U1—O3—C1—C2	15.6 (3)	U1—O6—C4—O5	−172.96 (16)
C3—O4—C2—C1	174.25 (17)	U1—O6—C4—C3	8.2 (3)
U1—O4—C2—C1	−11.0 (2)	O4—C3—C4—O5	178.09 (19)
O2—C1—C2—O4	−179.37 (19)	O4—C3—C4—O6	−3.0 (3)

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

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
OW1—HW1A···O5^iii	0.79 (4)	2.07 (4)	2.833 (2)	161 (3)
OW1—HW1B···OW3^iv	0.85 (4)	1.95 (4)	2.804 (3)	176 (3)
OW2—HW2A···OW3^v	0.83 (4)	1.99 (4)	2.817 (3)	177 (3)
OW2—HW2B···O3^ii	0.82 (4)	2.32 (4)	2.833 (2)	122 (3)
OW2—HW2B···O6^iv	0.82 (4)	2.02 (4)	2.821 (2)	166 (3)
OW3—HW3A···O5^vi	0.88 (4)	2.00 (4)	2.849 (3)	165 (3)
OW3—HW3B···OW2^vii	0.81 (4)	2.55 (4)	3.013 (3)	118 (3)
OW3—HW3B···O2^vii	0.81 (4)	2.08 (4)	2.870 (3)	166 (4)

Symmetry codes: (ii) −x+2, −y+2, −z+2; (iii) −x+2, −y+1, −z+1; (iv) x+1, y+1, z+1; (v) −x+2, −y+2, −z+1; (vi) x, y+1, z; (vii) x−1, y, z−1.