Triaquatris(2,6-dinitrophenolato-[kappa]²O¹,O²)yttrium(III)

In the title compound, [Y(C₆H₃N₂O₅)₃(H₂O)₃], the Y atom is nine-coordinate with a slightly distorted tricapped trigonal prismatic coordination geometry. The Y^III ion is coordinated to three bidentate 2,6-di­nitro­phenolate ligands and three water mol­ecules. The Y-O bond distances are in the range 2.217 (3)-2.754 (4) Å, with the Y-O distances from the nitro groups being longer than those from the water mol­ecules and the phenol groups. The coordinated NO₂ groups are almost coplanar with the benzene rings.

Computing details

Data collection: XSCANS (Siemens, 1996); cell refinement: XSCANS; data reduction: SHELXTL (Bruker, 1997); 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).

Trisaquatris(2,6-dinitrophenolato-κ²O¹,O²)yttrium(III)

Crystal data

[Y(C6H3N2O5)3(H2O)3]	Z = 2
Mr = 692.27	F(000) = 696
Triclinic, P1	Dx = 1.865 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 8.5876 (6) Å	Cell parameters from 53 reflections
b = 11.7161 (9) Å	θ = 4.9–12.5°
c = 13.8624 (11) Å	µ = 2.47 mm^−1
α = 73.531 (7)°	T = 301 K
β = 74.745 (6)°	Cubic, yellow
γ = 69.590 (6)°	0.42 × 0.36 × 0.22 mm
V = 1232.44 (16) Å^3

Data collection

Bruker P4 diffractometer	Rint = 0.036
2θ/ω scans	θmax = 27.5°, θmin = 1.9°
Absorption correction: ψ-scan (North et al., 1968)	h = −1→11
Tmin = 0.385, Tmax = 0.581	k = −14→14
6755 measured reflections	l = −17→18
5632 independent reflections	3 standard reflections every 97 reflections
3771 reflections with I > 2σ(I)	intensity decay: none

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	H atoms treated by a mixture of independent and constrained refinement
R[F^2 > 2σ(F^2)] = 0.056	w = 1/[σ^2(Fo^2) + (0.0365P)^2] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.103	(Δ/σ)max = 0.001
S = 1.00	Δρmax = 0.38 e Å^−3
5632 reflections	Δρmin = −0.42 e Å^−3
432 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)
Y	0.47577 (5)	0.24119 (4)	0.03103 (3)	0.02606 (12)
OW2	0.4358 (5)	0.4475 (3)	−0.0714 (2)	0.0374 (8)
OW3	0.7244 (4)	0.2749 (3)	0.0342 (3)	0.0404 (8)
OW4	0.6646 (5)	0.0441 (3)	0.0063 (4)	0.0487 (10)
O1	0.3831 (3)	0.3656 (2)	0.1471 (2)	0.0335 (7)
C1	0.2724 (5)	0.3504 (3)	0.2284 (3)	0.0294 (9)
C2	0.1047 (5)	0.3535 (4)	0.2287 (3)	0.0325 (10)
C3	−0.0119 (6)	0.3332 (4)	0.3177 (4)	0.0459 (12)
H3	−0.1209	0.3391	0.3136	0.055*
C4	0.0337 (7)	0.3043 (5)	0.4122 (4)	0.0525 (13)
H4	−0.0431	0.2881	0.4718	0.063*
C5	0.1917 (6)	0.2997 (4)	0.4171 (3)	0.0473 (12)
H5	0.2239	0.2791	0.4803	0.057*
C6	0.3058 (6)	0.3258 (4)	0.3280 (3)	0.0364 (10)
N1	0.0493 (5)	0.3834 (3)	0.1316 (3)	0.0375 (9)
O2	0.1536 (4)	0.3606 (3)	0.0534 (2)	0.0397 (7)
O3	−0.1021 (4)	0.4272 (3)	0.1312 (3)	0.0547 (9)
N2	0.4720 (5)	0.3226 (4)	0.3397 (3)	0.0464 (10)
O4	0.5381 (5)	0.3974 (4)	0.2825 (3)	0.0749 (12)
O5	0.5361 (5)	0.2447 (4)	0.4074 (3)	0.1028 (17)
O6	0.3290 (3)	0.1132 (3)	0.1346 (2)	0.0371 (7)
C7	0.2996 (5)	0.0536 (4)	0.2274 (3)	0.0310 (9)
C8	0.4059 (5)	0.0121 (4)	0.3004 (3)	0.0334 (10)
C9	0.3653 (6)	−0.0524 (4)	0.3996 (3)	0.0434 (12)
H9	0.4407	−0.0769	0.4442	0.052*
C10	0.2164 (6)	−0.0800 (4)	0.4321 (4)	0.0515 (13)
H10	0.189	−0.1227	0.4987	0.062*
C11	0.1061 (6)	−0.0437 (4)	0.3646 (4)	0.0539 (14)
H11	0.0045	−0.0632	0.3852	0.065*
C12	0.1469 (5)	0.0205 (4)	0.2677 (3)	0.0361 (10)
N3	0.5693 (5)	0.0359 (4)	0.2732 (3)	0.0467 (10)
O7	0.5994 (4)	0.1148 (3)	0.1956 (2)	0.0487 (9)
O8	0.6725 (5)	−0.0204 (4)	0.3287 (3)	0.0928 (16)
N4	0.0244 (5)	0.0620 (5)	0.1985 (4)	0.0520 (11)
O9	0.036 (2)	0.027 (4)	0.1325 (16)	0.095 (11)	0.47 (5)
O9A	−0.012 (2)	−0.0316 (16)	0.182 (3)	0.078 (8)	0.53 (5)
O10	−0.101 (4)	0.165 (2)	0.218 (4)	0.097 (11)	0.48 (6)
O10A	−0.026 (4)	0.159 (2)	0.160 (2)	0.066 (8)	0.52 (6)
O11	0.3850 (4)	0.2189 (3)	−0.0963 (2)	0.0377 (7)
C13	0.3700 (5)	0.2749 (4)	−0.1890 (3)	0.0313 (10)
C14	0.4968 (5)	0.3128 (4)	−0.2682 (3)	0.0362 (10)
C15	0.4702 (6)	0.3712 (4)	−0.3677 (3)	0.0441 (12)
H15	0.5584	0.3922	−0.4171	0.053*
C16	0.3160 (6)	0.3980 (4)	−0.3937 (3)	0.0496 (13)
H16	0.2996	0.4359	−0.4605	0.06*
C17	0.1854 (6)	0.3680 (4)	−0.3193 (3)	0.0432 (12)
H17	0.0785	0.3892	−0.3348	0.052*
C18	0.2138 (5)	0.3067 (4)	−0.2222 (3)	0.0342 (10)
N5	0.6606 (5)	0.2957 (4)	−0.2459 (3)	0.0464 (10)
O12	0.6875 (4)	0.2530 (3)	−0.1568 (3)	0.0561 (9)
O13	0.7699 (5)	0.3242 (4)	−0.3168 (3)	0.0777 (12)
N6	0.0703 (5)	0.2818 (4)	−0.1452 (3)	0.0397 (9)
O14	0.0863 (4)	0.1793 (3)	−0.0893 (3)	0.0648 (11)
O15	−0.0613 (4)	0.3666 (3)	−0.1394 (3)	0.0530 (9)
H18	0.341 (9)	0.495 (6)	−0.070 (5)	0.13 (3)*
H19	0.505 (8)	0.489 (6)	−0.092 (5)	0.11 (3)*
H20	0.783 (7)	0.239 (5)	0.079 (4)	0.07 (2)*
H21	0.794 (8)	0.299 (6)	−0.015 (5)	0.10 (2)*
H22	0.704 (12)	0.012 (9)	−0.035 (7)	0.18 (5)*
H23	0.714 (10)	0.008 (8)	0.043 (6)	0.14 (4)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Y	0.0247 (2)	0.0289 (2)	0.0260 (2)	−0.01168 (16)	−0.00574 (16)	−0.00223 (15)
OW2	0.040 (2)	0.0318 (17)	0.0417 (19)	−0.0169 (17)	−0.0122 (17)	0.0031 (14)
OW3	0.0270 (18)	0.056 (2)	0.039 (2)	−0.0198 (16)	−0.0078 (17)	−0.0003 (17)
OW4	0.048 (2)	0.0350 (19)	0.055 (2)	−0.0020 (17)	−0.010 (2)	−0.0106 (19)
O1	0.0295 (16)	0.0450 (17)	0.0282 (15)	−0.0159 (14)	−0.0015 (13)	−0.0085 (13)
C1	0.032 (2)	0.024 (2)	0.031 (2)	−0.0078 (19)	−0.006 (2)	−0.0052 (17)
C2	0.035 (3)	0.030 (2)	0.030 (2)	−0.011 (2)	−0.005 (2)	−0.0032 (18)
C3	0.034 (3)	0.042 (3)	0.056 (3)	−0.013 (2)	0.005 (2)	−0.011 (2)
C4	0.063 (4)	0.061 (3)	0.033 (3)	−0.033 (3)	0.011 (3)	−0.009 (2)
C5	0.059 (3)	0.054 (3)	0.030 (3)	−0.023 (3)	0.000 (2)	−0.009 (2)
C6	0.041 (3)	0.039 (3)	0.030 (2)	−0.014 (2)	−0.008 (2)	−0.0053 (19)
N1	0.034 (2)	0.034 (2)	0.048 (2)	−0.0134 (18)	−0.014 (2)	−0.0022 (18)
O2	0.0414 (19)	0.0449 (18)	0.0339 (17)	−0.0125 (15)	−0.0111 (15)	−0.0063 (14)
O3	0.0301 (19)	0.055 (2)	0.075 (3)	−0.0101 (16)	−0.0231 (18)	0.0018 (18)
N2	0.051 (3)	0.058 (3)	0.032 (2)	−0.015 (2)	−0.012 (2)	−0.008 (2)
O4	0.078 (3)	0.084 (3)	0.081 (3)	−0.054 (2)	−0.039 (2)	0.014 (2)
O5	0.072 (3)	0.152 (4)	0.062 (3)	−0.039 (3)	−0.041 (2)	0.045 (3)
O6	0.0340 (17)	0.0466 (18)	0.0307 (16)	−0.0210 (15)	−0.0083 (14)	0.0055 (14)
C7	0.033 (2)	0.026 (2)	0.031 (2)	−0.0092 (19)	−0.005 (2)	−0.0024 (18)
C8	0.035 (3)	0.032 (2)	0.034 (2)	−0.016 (2)	−0.007 (2)	0.0003 (19)
C9	0.051 (3)	0.044 (3)	0.031 (2)	−0.019 (2)	−0.010 (2)	0.007 (2)
C10	0.056 (3)	0.055 (3)	0.034 (3)	−0.023 (3)	−0.003 (3)	0.008 (2)
C11	0.048 (3)	0.060 (3)	0.048 (3)	−0.029 (3)	0.004 (3)	0.002 (3)
C12	0.028 (2)	0.038 (2)	0.041 (3)	−0.013 (2)	−0.006 (2)	−0.001 (2)
N3	0.040 (2)	0.059 (3)	0.037 (2)	−0.019 (2)	−0.015 (2)	0.008 (2)
O7	0.0397 (19)	0.062 (2)	0.0454 (19)	−0.0281 (17)	−0.0161 (16)	0.0115 (17)
O8	0.062 (3)	0.132 (4)	0.078 (3)	−0.051 (3)	−0.047 (2)	0.048 (3)
N4	0.029 (2)	0.070 (4)	0.055 (3)	−0.026 (2)	−0.005 (2)	0.000 (3)
O9	0.045 (7)	0.18 (2)	0.052 (9)	−0.013 (11)	−0.008 (6)	−0.046 (12)
O9A	0.048 (7)	0.079 (9)	0.129 (18)	−0.012 (5)	−0.022 (10)	−0.056 (9)
O10	0.051 (11)	0.066 (8)	0.20 (3)	−0.002 (7)	−0.054 (16)	−0.051 (11)
O10A	0.061 (12)	0.055 (8)	0.088 (12)	−0.033 (9)	−0.055 (9)	0.032 (7)
O11	0.0440 (19)	0.0436 (17)	0.0313 (17)	−0.0203 (15)	−0.0104 (15)	−0.0042 (14)
C13	0.037 (3)	0.030 (2)	0.033 (2)	−0.014 (2)	−0.005 (2)	−0.0111 (18)
C14	0.037 (3)	0.036 (2)	0.043 (3)	−0.017 (2)	−0.009 (2)	−0.012 (2)
C15	0.059 (3)	0.048 (3)	0.030 (2)	−0.028 (3)	0.000 (2)	−0.006 (2)
C16	0.066 (4)	0.059 (3)	0.030 (3)	−0.028 (3)	−0.016 (3)	−0.001 (2)
C17	0.048 (3)	0.041 (3)	0.048 (3)	−0.012 (2)	−0.025 (3)	−0.007 (2)
C18	0.039 (3)	0.034 (2)	0.035 (2)	−0.014 (2)	−0.007 (2)	−0.0105 (19)
N5	0.037 (2)	0.051 (2)	0.054 (3)	−0.020 (2)	0.000 (2)	−0.014 (2)
O12	0.045 (2)	0.064 (2)	0.063 (2)	−0.0196 (18)	−0.0190 (19)	−0.0060 (19)
O13	0.052 (2)	0.118 (3)	0.068 (3)	−0.048 (2)	0.008 (2)	−0.018 (2)
N6	0.035 (2)	0.045 (2)	0.043 (2)	−0.020 (2)	−0.0076 (19)	−0.0047 (19)
O14	0.050 (2)	0.049 (2)	0.076 (3)	−0.0216 (18)	−0.004 (2)	0.0174 (19)
O15	0.034 (2)	0.0426 (19)	0.075 (3)	−0.0109 (17)	−0.0045 (19)	−0.0059 (18)

Geometric parameters (Å, º)

Y—O11	2.217 (3)	C8—C9	1.387 (5)
Y—O6	2.246 (3)	C8—N3	1.458 (5)
Y—O1	2.279 (3)	C9—C10	1.359 (6)
Y—OW3	2.316 (3)	C9—H9	0.93
Y—OW4	2.372 (4)	C10—C11	1.383 (6)
Y—OW2	2.389 (3)	C10—H10	0.93
Y—O7	2.605 (3)	C11—C12	1.362 (6)
Y—O2	2.608 (3)	C11—H11	0.93
Y—O12	2.754 (4)	C12—N4	1.474 (6)
OW2—H18	0.81 (7)	N3—O8	1.214 (4)
OW2—H19	0.84 (7)	N3—O7	1.239 (4)
OW3—H20	0.83 (5)	N4—O9	1.073 (19)
OW3—H21	0.84 (6)	N4—O10A	1.094 (17)
OW4—H22	0.72 (9)	N4—O9A	1.332 (13)
OW4—H23	0.69 (8)	N4—O10	1.35 (2)
O1—C1	1.283 (5)	O9—O9A	0.948 (18)
C1—C6	1.413 (5)	O9—O10A	1.57 (5)
C1—C2	1.427 (6)	O10—O10A	0.90 (2)
C2—C3	1.390 (6)	O11—C13	1.285 (4)
C2—N1	1.454 (5)	C13—C14	1.421 (6)
C3—C4	1.382 (6)	C13—C18	1.425 (6)
C3—H3	0.93	C14—C15	1.394 (6)
C4—C5	1.358 (7)	C14—N5	1.454 (5)
C4—H4	0.93	C15—C16	1.371 (6)
C5—C6	1.391 (6)	C15—H15	0.93
C5—H5	0.93	C16—C17	1.381 (6)
C6—N2	1.465 (6)	C16—H16	0.93
N1—O3	1.221 (4)	C17—C18	1.374 (6)
N1—O2	1.238 (4)	C17—H17	0.93
N2—O4	1.198 (5)	C18—N6	1.458 (5)
N2—O5	1.205 (4)	N5—O13	1.227 (5)
O6—C7	1.284 (4)	N5—O12	1.244 (5)
C7—C8	1.411 (5)	N6—O14	1.214 (4)
C7—C12	1.424 (5)	N6—O15	1.219 (4)
O11—Y—O6	86.59 (10)	N1—O2—Y	130.2 (2)
O11—Y—O1	137.62 (10)	O4—N2—O5	122.7 (4)
O6—Y—O1	90.24 (10)	O4—N2—C6	119.1 (4)
O11—Y—OW3	130.70 (12)	O5—N2—C6	118.2 (4)
O6—Y—OW3	133.41 (12)	C7—O6—Y	142.8 (3)
O1—Y—OW3	78.89 (11)	O6—C7—C8	127.2 (4)
O11—Y—OW4	79.92 (15)	O6—C7—C12	121.0 (4)
O6—Y—OW4	78.89 (13)	C8—C7—C12	111.8 (4)
O1—Y—OW4	140.63 (15)	C9—C8—C7	123.8 (4)
OW3—Y—OW4	81.63 (14)	C9—C8—N3	116.1 (4)
O11—Y—OW2	80.62 (11)	C7—C8—N3	120.1 (4)
O6—Y—OW2	141.25 (12)	C10—C9—C8	120.6 (4)
O1—Y—OW2	75.83 (11)	C10—C9—H9	119.7
OW3—Y—OW2	79.81 (13)	C8—C9—H9	119.7
OW4—Y—OW2	133.34 (15)	C9—C10—C11	119.0 (4)
O11—Y—O7	141.97 (10)	C9—C10—H10	120.5
O6—Y—O7	66.56 (9)	C11—C10—H10	120.5
O1—Y—O7	71.75 (10)	C12—C11—C10	119.7 (4)
OW3—Y—O7	67.00 (11)	C12—C11—H11	120.1
OW4—Y—O7	69.19 (15)	C10—C11—H11	120.1
OW2—Y—O7	137.03 (11)	C11—C12—C7	125.0 (4)
O11—Y—O2	73.81 (10)	C11—C12—N4	118.6 (4)
O6—Y—O2	70.49 (9)	C7—C12—N4	116.4 (4)
O1—Y—O2	65.39 (9)	O8—N3—O7	121.2 (4)
OW3—Y—O2	137.96 (11)	O8—N3—C8	119.1 (4)
OW4—Y—O2	140.34 (12)	O7—N3—C8	119.7 (3)
OW2—Y—O2	70.83 (12)	N3—O7—Y	139.0 (3)
O7—Y—O2	117.64 (9)	O9—N4—O10A	93 (3)
O11—Y—O12	63.23 (10)	O10A—N4—O9A	122.3 (12)
O6—Y—O12	137.18 (10)	O9—N4—O10	120.7 (18)
O1—Y—O12	132.58 (10)	O9A—N4—O10	119.7 (11)
OW3—Y—O12	67.47 (11)	O9—N4—C12	127.0 (10)
OW4—Y—O12	67.00 (13)	O10A—N4—C12	124.3 (8)
OW2—Y—O12	66.36 (11)	O9A—N4—C12	113.2 (10)
O7—Y—O12	119.70 (10)	O10—N4—C12	111.8 (14)
O2—Y—O12	122.60 (9)	O9A—O9—N4	82.2 (14)
Y—OW2—H18	119 (5)	O9A—O9—O10A	113 (2)
Y—OW2—H19	128 (4)	O9—O9A—N4	52.9 (13)
H18—OW2—H19	109 (6)	O10A—O10—N4	53.8 (11)
Y—OW3—H20	126 (4)	O10—O10A—N4	84.7 (15)
Y—OW3—H21	128 (4)	O10—O10A—O9	115 (2)
H20—OW3—H21	102 (5)	C13—O11—Y	138.2 (3)
Y—OW4—H22	138 (8)	O11—C13—C14	126.9 (4)
Y—OW4—H23	119 (7)	O11—C13—C18	120.7 (4)
H22—OW4—H23	101 (8)	C14—C13—C18	112.5 (4)
C1—O1—Y	123.7 (2)	C15—C14—C13	123.0 (4)
O1—C1—C6	123.1 (4)	C15—C14—N5	117.1 (4)
O1—C1—C2	124.1 (4)	C13—C14—N5	119.8 (4)
C6—C1—C2	112.7 (4)	C16—C15—C14	120.9 (4)
C3—C2—C1	123.3 (4)	C16—C15—H15	119.5
C3—C2—N1	117.6 (4)	C14—C15—H15	119.5
C1—C2—N1	119.1 (4)	C15—C16—C17	119.0 (4)
C4—C3—C2	120.2 (4)	C15—C16—H16	120.5
C4—C3—H3	119.9	C17—C16—H16	120.5
C2—C3—H3	119.9	C18—C17—C16	119.8 (4)
C5—C4—C3	119.3 (5)	C18—C17—H17	120.1
C5—C4—H4	120.4	C16—C17—H17	120.1
C3—C4—H4	120.4	C17—C18—C13	124.7 (4)
C4—C5—C6	120.4 (4)	C17—C18—N6	117.8 (4)
C4—C5—H5	119.8	C13—C18—N6	117.3 (4)
C6—C5—H5	119.8	O13—N5—O12	121.6 (4)
C5—C6—C1	123.9 (4)	O13—N5—C14	118.3 (4)
C5—C6—N2	117.2 (4)	O12—N5—C14	120.1 (4)
C1—C6—N2	118.9 (4)	N5—O12—Y	132.6 (3)
O3—N1—O2	122.1 (4)	O14—N6—O15	122.8 (4)
O3—N1—C2	117.7 (4)	O14—N6—C18	119.4 (4)
O2—N1—C2	120.1 (3)	O15—N6—C18	117.7 (4)
O11—Y—O1—C1	78.6 (3)	OW2—Y—O7—N3	141.6 (4)
O6—Y—O1—C1	−6.6 (3)	O2—Y—O7—N3	50.5 (5)
OW3—Y—O1—C1	−141.0 (3)	O12—Y—O7—N3	−132.2 (4)
OW4—Y—O1—C1	−79.3 (3)	C11—C12—N4—O9	−110 (3)
OW2—Y—O1—C1	136.8 (3)	C7—C12—N4—O9	71 (3)
O7—Y—O1—C1	−71.8 (3)	C11—C12—N4—O10A	124 (2)
O2—Y—O1—C1	61.7 (3)	C7—C12—N4—O10A	−55 (3)
O12—Y—O1—C1	174.3 (3)	C11—C12—N4—O9A	−60.0 (17)
Y—O1—C1—C6	119.2 (4)	C7—C12—N4—O9A	121.1 (17)
Y—O1—C1—C2	−59.2 (5)	C11—C12—N4—O10	79 (2)
O1—C1—C2—C3	178.0 (4)	C7—C12—N4—O10	−100 (2)
C6—C1—C2—C3	−0.5 (6)	O10A—N4—O9—O9A	−135.3 (18)
O1—C1—C2—N1	−4.2 (6)	O10—N4—O9—O9A	−103 (3)
C6—C1—C2—N1	177.3 (3)	C12—N4—O9—O9A	87 (2)
C1—C2—C3—C4	−2.2 (7)	O9A—N4—O9—O10A	135.3 (18)
N1—C2—C3—C4	179.9 (4)	O10—N4—O9—O10A	32.6 (19)
C2—C3—C4—C5	2.0 (7)	C12—N4—O9—O10A	−138 (3)
C3—C4—C5—C6	1.0 (8)	O10A—O9—O9A—N4	−32.2 (12)
C4—C5—C6—C1	−4.1 (7)	O10A—N4—O9A—O9	56 (3)
C4—C5—C6—N2	178.2 (4)	O10—N4—O9A—O9	105 (3)
O1—C1—C6—C5	−174.9 (4)	C12—N4—O9A—O9	−119.7 (13)
C2—C1—C6—C5	3.7 (6)	O9—N4—O10—O10A	−54 (4)
O1—C1—C6—N2	2.8 (6)	O9A—N4—O10—O10A	−107 (3)
C2—C1—C6—N2	−178.6 (4)	C12—N4—O10—O10A	117.6 (15)
C3—C2—N1—O3	22.7 (5)	N4—O10—O10A—O9	31.7 (13)
C1—C2—N1—O3	−155.3 (4)	O9—N4—O10A—O10	136 (2)
C3—C2—N1—O2	−154.9 (4)	O9A—N4—O10A—O10	100 (3)
C1—C2—N1—O2	27.1 (6)	C12—N4—O10A—O10	−84.7 (19)
O3—N1—O2—Y	−170.6 (3)	O9A—N4—O10A—O9	−36.0 (14)
C2—N1—O2—Y	6.9 (5)	O10—N4—O10A—O9	−136 (2)
O11—Y—O2—N1	152.6 (3)	C12—N4—O10A—O9	140 (2)
O6—Y—O2—N1	60.5 (3)	O9A—O9—O10A—O10	−1 (3)
O1—Y—O2—N1	−39.1 (3)	N4—O9—O10A—O10	−50 (2)
OW3—Y—O2—N1	−73.6 (4)	O9A—O9—O10A—N4	49.3 (17)
OW4—Y—O2—N1	102.1 (4)	O6—Y—O11—C13	161.9 (4)
OW2—Y—O2—N1	−121.9 (3)	O1—Y—O11—C13	75.3 (4)
O7—Y—O2—N1	11.9 (3)	OW3—Y—O11—C13	−49.2 (4)
O12—Y—O2—N1	−165.3 (3)	OW4—Y—O11—C13	−118.8 (4)
C5—C6—N2—O4	−142.5 (5)	OW2—Y—O11—C13	18.6 (4)
C1—C6—N2—O4	39.7 (6)	O7—Y—O11—C13	−154.4 (4)
C5—C6—N2—O5	37.0 (6)	O2—Y—O11—C13	91.2 (4)
C1—C6—N2—O5	−140.8 (5)	O12—Y—O11—C13	−49.6 (4)
O11—Y—O6—C7	173.6 (4)	Y—O11—C13—C14	50.2 (6)
O1—Y—O6—C7	−48.7 (4)	Y—O11—C13—C18	−129.3 (4)
OW3—Y—O6—C7	26.1 (5)	O11—C13—C14—C15	178.7 (4)
OW4—Y—O6—C7	93.2 (5)	C18—C13—C14—C15	−1.8 (6)
OW2—Y—O6—C7	−116.0 (4)	O11—C13—C14—N5	−3.8 (6)
O7—Y—O6—C7	21.2 (4)	C18—C13—C14—N5	175.6 (4)
O2—Y—O6—C7	−112.4 (5)	C13—C14—C15—C16	1.6 (7)
O12—Y—O6—C7	130.3 (4)	N5—C14—C15—C16	−175.9 (4)
Y—O6—C7—C8	−25.5 (7)	C14—C15—C16—C17	0.9 (7)
Y—O6—C7—C12	155.3 (3)	C15—C16—C17—C18	−3.1 (7)
O6—C7—C8—C9	−179.8 (4)	C16—C17—C18—C13	3.0 (7)
C12—C7—C8—C9	−0.5 (6)	C16—C17—C18—N6	177.4 (4)
O6—C7—C8—N3	0.0 (7)	O11—C13—C18—C17	179.0 (4)
C12—C7—C8—N3	179.3 (4)	C14—C13—C18—C17	−0.5 (6)
C7—C8—C9—C10	0.3 (7)	O11—C13—C18—N6	4.6 (6)
N3—C8—C9—C10	−179.5 (4)	C14—C13—C18—N6	−175.0 (4)
C8—C9—C10—C11	0.5 (8)	C15—C14—N5—O13	−5.7 (6)
C9—C10—C11—C12	−1.1 (8)	C13—C14—N5—O13	176.8 (4)
C10—C11—C12—C7	1.0 (8)	C15—C14—N5—O12	174.5 (4)
C10—C11—C12—N4	−177.8 (5)	C13—C14—N5—O12	−3.1 (6)
O6—C7—C12—C11	179.2 (4)	O13—N5—O12—Y	158.6 (3)
C8—C7—C12—C11	−0.2 (6)	C14—N5—O12—Y	−21.5 (6)
O6—C7—C12—N4	−2.0 (6)	O11—Y—O12—N5	35.6 (4)
C8—C7—C12—N4	178.6 (4)	O6—Y—O12—N5	85.7 (4)
C9—C8—N3—O8	14.2 (7)	O1—Y—O12—N5	−95.7 (4)
C7—C8—N3—O8	−165.6 (4)	OW3—Y—O12—N5	−144.0 (4)
C9—C8—N3—O7	−164.2 (4)	OW4—Y—O12—N5	125.7 (4)
C7—C8—N3—O7	15.9 (6)	OW2—Y—O12—N5	−55.6 (4)
O8—N3—O7—Y	167.2 (4)	O7—Y—O12—N5	172.3 (4)
C8—N3—O7—Y	−14.4 (7)	O2—Y—O12—N5	−10.5 (4)
O11—Y—O7—N3	−48.6 (5)	C17—C18—N6—O14	134.5 (4)
O6—Y—O7—N3	0.1 (4)	C13—C18—N6—O14	−50.6 (6)
O1—Y—O7—N3	98.6 (5)	C17—C18—N6—O15	−46.1 (6)
OW3—Y—O7—N3	−176.0 (5)	C13—C18—N6—O15	128.7 (4)
OW4—Y—O7—N3	−86.4 (5)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
OW2—H19···O1^i	0.84 (7)	2.10 (7)	2.920 (4)	164 (6)
OW2—H18···O3^ii	0.81 (7)	2.22 (7)	2.946 (5)	150 (6)
OW3—H20···O10^iii	0.83 (5)	2.21 (6)	3.03 (4)	169 (5)
OW3—H21···O14^iii	0.84 (6)	2.51 (6)	3.115 (5)	130 (5)
OW3—H21···O15^iii	0.84 (6)	1.98 (6)	2.813 (5)	174 (6)
OW4—H22···O6^iv	0.72 (9)	2.40 (9)	3.022 (6)	145 (10)
OW4—H22···O9^iv	0.72 (9)	2.25 (10)	2.794 (17)	133 (10)
OW4—H23···O14^iv	0.69 (8)	2.31 (8)	2.904 (5)	146 (9)

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