Di-μ-hydroxido-bis[tris(1,1,1,5,5,5-hexa-fluoro-acetyl-acetonato-κO,O')hafnium(IV)] acetone solvate.

The binuclear title compound, [Hf(2)(C(5)HF(6)O(2))(6)(OH)(2)]·C(3)H(6)O, contains an Hf(IV) atom which is eight coordinated and surrounded by three chelating β-diketonato 1,1,1,5,5,5-hexa-fluoro-acetyl-acetonate (hfaa) ligands and two bridging OH groups situated on a twofold rotation axis. The HfO(8) coordination polyhedron shows a slightly distorted Archimedean square anti-prismatic coordination with average Hf-O, C-O, C-C(Me) distances of 2.19 (2), 1.26 (2) and 1.49 (2) Å, respectively, and an O-Hf-O bite angle of 75.3 (5)°. Weak O-H⋯O hydrogen bonding inter-actions are observed between one of the bridging hydr-oxy groups and the disordered solvent mol-ecule.

Related literature

A monoclinic structure of the solvent-free title compound was first investigated by Zherikova et al. (2006a ▶). For more hafnium and zirconium complexes containing β-diketonato ligands, see: Viljoen et al. (2008 ▶); Calderazzo et al. (1998 ▶); Zherikova et al. (2005 ▶, 2006b ▶); Steyn et al. (2008 ▶).

Experimental

Crystal data

[Hf2(C5HF6O2)6(OH)2]·C3H6O

M = 1691.42

Monoclinic,

a = 22.1290 (14) Å

b = 12.4100 (8) Å

c = 19.5010 (11) Å

β = 105.197 (2)°

V = 5168.1 (6) Å3

Z = 4

Mo Kα radiation

μ = 4.21 mm−1

T = 100 K

0.26 × 0.21 × 0.02 mm

Data collection

Bruker X8 APEXII 4K Kappa CCD diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2004 ▶) T min = 0.360, T max = 0.919

24620 measured reflections

6381 independent reflections

5035 reflections with I > 2σ(I)

R int = 0.050

Refinement

R[F 2 > 2σ(F 2)] = 0.041

wR(F 2) = 0.119

S = 1.03

6381 reflections

373 parameters

5 restraints

H atoms treated by a mixture of independent and constrained refinement

Δρmax = 2.07 e Å−3

Δρmin = −1.49 e Å−3

Data collection: APEX2 (Bruker, 2005 ▶); cell refinement: SAINT-Plus (Bruker, 2004 ▶); data reduction: SAINT-Plus; program(s) used to solve structure: SIR92 (Altomare et al., 1999 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: DIAMOND (Brandenburg & Putz, 2005 ▶); software used to prepare material for publication: WinGX (Farrugia, 1999 ▶).

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536809041658/wm2265sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809041658/wm2265Isup2.hkl

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

[Hf2(C5HF6O2)6(OH)2]·C3H6O	F(000) = 3200
Mr = 1691.42	Dx = 2.174 Mg m−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71069 Å
Hall symbol: -C 2yc	Cell parameters from 8999 reflections
a = 22.1290 (14) Å	θ = 3.1–28.1°
b = 12.4100 (8) Å	µ = 4.21 mm−1
c = 19.5010 (11) Å	T = 100 K
β = 105.197 (2)°	Plate, colourless
V = 5168.1 (6) Å3	0.26 × 0.21 × 0.02 mm
Z = 4

Bruker X8 APEXII 4K Kappa CCD diffractometer	6381 independent reflections
Radiation source: fine-focus sealed tube	5035 reflections with I > 2σ(I)
graphite	Rint = 0.050
ω– and φ–scans	θmax = 28.3°, θmin = 1.9°
Absorption correction: multi-scan (SADABS; Bruker, 2004)	h = −25→29
Tmin = 0.360, Tmax = 0.919	k = −16→15
24620 measured reflections	l = −25→15

Refinement on F2	5 restraints
Least-squares matrix: full	H atoms treated by a mixture of independent and constrained refinement
R[F2 > 2σ(F2)] = 0.041	w = 1/[σ2(Fo2) + (0.0606P)2 + 32.7892P] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.119	(Δ/σ)max = 0.001
S = 1.03	Δρmax = 2.07 e Å−3
6381 reflections	Δρmin = −1.49 e Å−3
373 parameters

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 > 2σ(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	Occ. (<1)
Hf	0.419608 (10)	0.227714 (18)	0.207046 (12)	0.02116 (9)
C1	0.3711 (5)	−0.0844 (7)	0.0809 (6)	0.0721 (14)
C2	0.3592 (3)	0.0258 (4)	0.1079 (3)	0.0270 (12)
C3	0.2981 (3)	0.0645 (5)	0.0884 (3)	0.0327 (13)
H1	0.2669	0.0246	0.0577	0.039*
C4	0.2838 (3)	0.1603 (5)	0.1140 (3)	0.0268 (12)
C5	0.2168 (3)	0.2039 (5)	0.0939 (4)	0.0377 (16)
C6	0.3336 (4)	−0.0077 (8)	0.3312 (5)	0.0638 (11)
C7	0.3517 (3)	0.1044 (5)	0.3105 (4)	0.0356 (14)
C8	0.3298 (3)	0.1955 (6)	0.3383 (4)	0.0386 (15)
H2	0.2994	0.19	0.3633	0.046*
C9	0.3545 (3)	0.2930 (5)	0.3274 (3)	0.0326 (14)
C10	0.3404 (3)	0.3945 (6)	0.3660 (4)	0.0438 (17)
C11	0.3635 (3)	0.5603 (5)	0.1098 (3)	0.0298 (13)
C12	0.3980 (3)	0.4503 (5)	0.1192 (3)	0.0261 (12)
C13	0.4324 (3)	0.4228 (5)	0.0712 (3)	0.0297 (12)
H3	0.4415	0.4745	0.0409	0.036*
C14	0.4526 (3)	0.3192 (5)	0.0693 (3)	0.0271 (12)
C15	0.4830 (3)	0.2826 (5)	0.0116 (3)	0.0346 (15)
O1	0.40552 (18)	0.0693 (3)	0.1480 (2)	0.0287 (9)
O2	0.32118 (18)	0.2240 (3)	0.1555 (2)	0.0256 (8)
O3	0.38704 (18)	0.1031 (3)	0.2699 (2)	0.0321 (9)
O4	0.39107 (18)	0.3134 (3)	0.2892 (2)	0.0270 (8)
O5	0.38857 (18)	0.3933 (3)	0.1676 (2)	0.0266 (8)
O6	0.4472 (2)	0.2418 (3)	0.1103 (2)	0.0283 (9)
O7	0.5	0.3223 (4)	0.25	0.0250 (11)
O8	0.5	0.1356 (5)	0.25	0.0271 (12)
F1A	0.3226 (8)	−0.1422 (12)	0.0495 (9)	0.0721 (14)	0.375 (6)
F2A	0.3984 (7)	−0.0611 (10)	0.0202 (8)	0.0721 (14)	0.375 (6)
F3A	0.4211 (8)	−0.1344 (12)	0.1156 (9)	0.0721 (14)	0.375 (6)
F1B	0.3629 (4)	−0.1582 (6)	0.1313 (5)	0.0721 (14)	0.625 (6)
F2B	0.3347 (5)	−0.1112 (7)	0.0202 (5)	0.0721 (14)	0.625 (6)
F3B	0.4280 (5)	−0.1047 (7)	0.0806 (5)	0.0721 (14)	0.625 (6)
F4	0.17688 (18)	0.1341 (4)	0.0530 (3)	0.0613 (13)
F5	0.19641 (18)	0.2225 (3)	0.1501 (3)	0.0489 (11)
F6	0.2136 (2)	0.2953 (4)	0.0574 (2)	0.0541 (12)
F7A	0.3759 (4)	−0.0493 (8)	0.3801 (6)	0.0638 (11)	0.667 (12)
F8A	0.3265 (4)	−0.0786 (7)	0.2726 (5)	0.0638 (11)	0.667 (12)
F9A	0.2780 (4)	−0.0118 (7)	0.3431 (6)	0.0638 (11)	0.667 (12)
F7B	0.3875 (8)	−0.0651 (16)	0.3596 (11)	0.0638 (11)	0.333 (12)
F8B	0.3023 (8)	−0.0593 (14)	0.2764 (10)	0.0638 (11)	0.333 (12)
F9B	0.2993 (8)	−0.0006 (14)	0.3789 (12)	0.0638 (11)	0.333 (12)
F10	0.3100 (2)	0.4661 (4)	0.3203 (2)	0.0553 (12)
F11	0.3059 (3)	0.3715 (5)	0.4103 (3)	0.0885 (19)
F12	0.3928 (2)	0.4404 (4)	0.4033 (2)	0.0654 (14)
F13	0.30844 (18)	0.5497 (3)	0.0616 (2)	0.0451 (10)
F14	0.3532 (2)	0.5951 (3)	0.1687 (2)	0.0456 (10)
F15	0.3962 (2)	0.6343 (3)	0.0856 (3)	0.0619 (13)
F16	0.4473 (2)	0.2113 (4)	−0.0304 (2)	0.0474 (11)
F17	0.53881 (19)	0.2378 (4)	0.0391 (2)	0.0482 (11)
F18	0.4919 (2)	0.3644 (4)	−0.0295 (2)	0.0534 (11)
H8	0.5	0.0703 (17)	0.25	0.064*
H7	0.5	0.388 (2)	0.25	0.064*
C02	0.5	0.6393 (9)	0.25	0.061 (2)
O01	0.5047 (7)	0.5448 (7)	0.2346 (6)	0.061 (2)	0.5
C01	0.4627 (7)	0.6837 (13)	0.2974 (8)	0.061 (2)	0.5
H01A	0.4339	0.7369	0.272	0.091*	0.5
H01B	0.4904	0.7162	0.3384	0.091*	0.5
H01C	0.4398	0.6264	0.3122	0.091*	0.5
C03	0.5346 (8)	0.7260 (12)	0.2166 (9)	0.061 (2)	0.5
H03A	0.5757	0.7005	0.2174	0.091*	0.5
H03B	0.538	0.7915	0.2435	0.091*	0.5
H03C	0.5114	0.7393	0.1684	0.091*	0.5

	U11	U22	U33	U12	U13	U23
Hf	0.02293 (13)	0.01426 (14)	0.02648 (14)	0.00092 (8)	0.00681 (9)	−0.00103 (9)
C1	0.085 (3)	0.037 (2)	0.088 (4)	0.018 (2)	0.013 (2)	−0.027 (2)
C2	0.033 (3)	0.011 (3)	0.037 (3)	0.001 (2)	0.010 (2)	−0.002 (2)
C3	0.029 (3)	0.025 (3)	0.038 (3)	0.000 (2)	−0.002 (2)	−0.006 (3)
C4	0.027 (3)	0.023 (3)	0.027 (3)	0.004 (2)	0.003 (2)	0.001 (2)
C5	0.026 (3)	0.025 (3)	0.054 (4)	0.001 (2)	−0.001 (3)	−0.009 (3)
C6	0.047 (2)	0.056 (2)	0.091 (3)	−0.0059 (17)	0.0231 (18)	0.031 (2)
C7	0.030 (3)	0.033 (4)	0.044 (4)	−0.003 (3)	0.009 (3)	0.011 (3)
C8	0.036 (3)	0.039 (4)	0.049 (4)	0.004 (3)	0.025 (3)	0.009 (3)
C9	0.032 (3)	0.036 (4)	0.028 (3)	0.009 (3)	0.005 (2)	0.002 (3)
C10	0.052 (4)	0.049 (5)	0.036 (4)	0.018 (3)	0.021 (3)	0.005 (3)
C11	0.034 (3)	0.015 (3)	0.037 (3)	0.003 (2)	0.002 (3)	−0.001 (2)
C12	0.025 (3)	0.020 (3)	0.030 (3)	0.002 (2)	0.003 (2)	0.000 (2)
C13	0.038 (3)	0.026 (3)	0.025 (3)	0.002 (2)	0.008 (2)	0.002 (2)
C14	0.026 (3)	0.029 (3)	0.025 (3)	−0.004 (2)	0.005 (2)	−0.002 (2)
C15	0.036 (3)	0.043 (4)	0.025 (3)	−0.002 (3)	0.010 (3)	−0.007 (3)
O1	0.026 (2)	0.017 (2)	0.042 (2)	−0.0005 (16)	0.0075 (17)	−0.0068 (18)
O2	0.024 (2)	0.018 (2)	0.033 (2)	0.0006 (15)	0.0045 (16)	−0.0056 (16)
O3	0.030 (2)	0.026 (2)	0.041 (2)	0.0005 (17)	0.0111 (18)	0.0059 (19)
O4	0.032 (2)	0.024 (2)	0.026 (2)	0.0018 (17)	0.0102 (16)	0.0019 (17)
O5	0.033 (2)	0.017 (2)	0.028 (2)	0.0008 (16)	0.0064 (16)	−0.0004 (16)
O6	0.035 (2)	0.020 (2)	0.030 (2)	0.0032 (17)	0.0087 (18)	−0.0037 (17)
O7	0.028 (3)	0.013 (3)	0.032 (3)	0	0.005 (2)	0
O8	0.026 (3)	0.015 (3)	0.036 (3)	0	0.001 (2)	0
F1A	0.085 (3)	0.037 (2)	0.088 (4)	0.018 (2)	0.013 (2)	−0.027 (2)
F2A	0.085 (3)	0.037 (2)	0.088 (4)	0.018 (2)	0.013 (2)	−0.027 (2)
F3A	0.085 (3)	0.037 (2)	0.088 (4)	0.018 (2)	0.013 (2)	−0.027 (2)
F1B	0.085 (3)	0.037 (2)	0.088 (4)	0.018 (2)	0.013 (2)	−0.027 (2)
F2B	0.085 (3)	0.037 (2)	0.088 (4)	0.018 (2)	0.013 (2)	−0.027 (2)
F3B	0.085 (3)	0.037 (2)	0.088 (4)	0.018 (2)	0.013 (2)	−0.027 (2)
F4	0.036 (2)	0.042 (3)	0.090 (3)	0.0088 (19)	−0.012 (2)	−0.025 (2)
F5	0.029 (2)	0.049 (3)	0.070 (3)	0.0060 (17)	0.015 (2)	−0.006 (2)
F6	0.054 (3)	0.040 (3)	0.062 (3)	0.022 (2)	0.005 (2)	0.011 (2)
F7A	0.047 (2)	0.056 (2)	0.091 (3)	−0.0059 (17)	0.0231 (18)	0.031 (2)
F8A	0.047 (2)	0.056 (2)	0.091 (3)	−0.0059 (17)	0.0231 (18)	0.031 (2)
F9A	0.047 (2)	0.056 (2)	0.091 (3)	−0.0059 (17)	0.0231 (18)	0.031 (2)
F7B	0.047 (2)	0.056 (2)	0.091 (3)	−0.0059 (17)	0.0231 (18)	0.031 (2)
F8B	0.047 (2)	0.056 (2)	0.091 (3)	−0.0059 (17)	0.0231 (18)	0.031 (2)
F9B	0.047 (2)	0.056 (2)	0.091 (3)	−0.0059 (17)	0.0231 (18)	0.031 (2)
F10	0.066 (3)	0.052 (3)	0.043 (2)	0.035 (2)	0.007 (2)	−0.003 (2)
F11	0.132 (5)	0.073 (4)	0.094 (4)	0.014 (4)	0.089 (4)	−0.001 (3)
F12	0.067 (3)	0.070 (3)	0.049 (3)	0.018 (3)	−0.003 (2)	−0.029 (2)
F13	0.044 (2)	0.040 (2)	0.043 (2)	0.0144 (18)	−0.0051 (17)	−0.0022 (18)
F14	0.061 (2)	0.032 (2)	0.040 (2)	0.0174 (19)	0.0061 (18)	−0.0043 (18)
F15	0.060 (3)	0.028 (2)	0.107 (4)	0.006 (2)	0.039 (3)	0.019 (2)
F16	0.053 (2)	0.056 (3)	0.033 (2)	−0.014 (2)	0.0104 (18)	−0.0254 (19)
F17	0.038 (2)	0.065 (3)	0.043 (2)	0.0105 (19)	0.0137 (18)	−0.015 (2)
F18	0.073 (3)	0.054 (3)	0.045 (2)	−0.008 (2)	0.034 (2)	−0.001 (2)
C02	0.069 (4)	0.032 (3)	0.061 (5)	0	−0.019 (4)	0
O01	0.069 (4)	0.032 (3)	0.061 (5)	0	−0.019 (4)	0
C01	0.069 (4)	0.032 (3)	0.061 (5)	0	−0.019 (4)	0
C03	0.069 (4)	0.032 (3)	0.061 (5)	0	−0.019 (4)	0

Hf—O1	2.258 (4)	C8—C9	1.368 (9)
Hf—O2	2.147 (4)	C8—H2	0.93
Hf—O3	2.209 (4)	C9—O4	1.262 (7)
Hf—O4	2.150 (4)	C9—C10	1.540 (9)
Hf—O5	2.238 (4)	C10—F10	1.312 (8)
Hf—O6	2.137 (4)	C10—F12	1.323 (9)
Hf—O7	2.113 (3)	C10—F11	1.325 (8)
Hf—O8	2.096 (3)	C11—F14	1.302 (7)
C1—F3B	1.286 (13)	C11—F15	1.329 (7)
C1—F2B	1.288 (13)	C11—F13	1.337 (7)
C1—F3A	1.294 (18)	C11—C12	1.551 (8)
C1—F1A	1.302 (19)	C12—O5	1.239 (7)
C1—F1B	1.389 (14)	C12—C13	1.395 (8)
C1—F2A	1.491 (18)	C13—C14	1.365 (9)
C1—C2	1.514 (10)	C13—H3	0.93
C2—O1	1.238 (7)	C14—O6	1.275 (7)
C2—C3	1.389 (8)	C14—C15	1.523 (8)
C3—C4	1.358 (8)	C15—F16	1.318 (7)
C3—H1	0.93	C15—F17	1.332 (8)
C4—O2	1.269 (7)	C15—F18	1.339 (8)
C4—C5	1.531 (8)	O7—Hfi	2.113 (3)
C5—F5	1.309 (9)	O7—H7	0.81 (3)
C5—F6	1.331 (8)	O8—Hfi	2.096 (3)
C5—F4	1.340 (7)	O8—H8	0.81 (2)
C6—F7A	1.258 (12)	C02—O01	1.221 (14)
C6—F8B	1.28 (2)	C02—C01	1.496 (14)
C6—F9A	1.311 (11)	C02—C03	1.558 (15)
C6—F9B	1.348 (19)	C01—H01A	0.96
C6—F7B	1.38 (2)	C01—H01B	0.96
C6—F8A	1.419 (14)	C01—H01C	0.96
C6—C7	1.532 (10)	C03—H03A	0.96
C7—O3	1.249 (7)	C03—H03B	0.96
C7—C8	1.394 (10)	C03—H03C	0.96
O2—Hf—O1	75.83 (14)	F9B—C6—F8A	129.3 (11)
O4—Hf—O3	74.36 (16)	F7B—C6—F8A	84.5 (11)
O6—Hf—O5	75.77 (14)	F7A—C6—C7	112.2 (8)
O8—Hf—O7	66.82 (18)	F8B—C6—C7	110.8 (10)
O8—Hf—O6	89.34 (11)	F9A—C6—C7	113.9 (8)
O7—Hf—O6	84.20 (11)	F9B—C6—C7	110.9 (11)
O8—Hf—O2	145.72 (16)	F7B—C6—C7	108.5 (9)
O7—Hf—O2	147.46 (15)	F8A—C6—C7	109.4 (7)
O6—Hf—O2	94.45 (16)	O3—C7—C8	126.6 (6)
O8—Hf—O4	110.88 (12)	O3—C7—C6	114.0 (7)
O7—Hf—O4	79.11 (12)	C8—C7—C6	119.4 (6)
O6—Hf—O4	145.55 (15)	C9—C8—C7	117.6 (6)
O2—Hf—O4	84.23 (15)	C9—C8—H2	121.2
O8—Hf—O3	76.26 (14)	C7—C8—H2	121.2
O7—Hf—O3	122.16 (13)	O4—C9—C8	127.9 (6)
O6—Hf—O3	139.27 (16)	O4—C9—C10	111.6 (6)
O2—Hf—O3	78.85 (15)	C8—C9—C10	120.5 (6)
O8—Hf—O5	142.20 (16)	F10—C10—F12	107.5 (7)
O7—Hf—O5	77.11 (16)	F10—C10—F11	107.9 (6)
O2—Hf—O5	71.11 (14)	F12—C10—F11	107.8 (6)
O4—Hf—O5	71.25 (15)	F10—C10—C9	110.8 (5)
O3—Hf—O5	135.93 (14)	F12—C10—C9	111.2 (5)
O8—Hf—O1	73.62 (15)	F11—C10—C9	111.5 (6)
O7—Hf—O1	132.48 (14)	F14—C11—F15	108.8 (5)
O6—Hf—O1	69.78 (15)	F14—C11—F13	108.3 (5)
O4—Hf—O1	141.43 (15)	F15—C11—F13	107.4 (5)
O3—Hf—O1	69.63 (15)	F14—C11—C12	112.5 (5)
O5—Hf—O1	129.42 (15)	F15—C11—C12	110.7 (5)
F3B—C1—F2B	108.8 (9)	F13—C11—C12	109.0 (5)
F2B—C1—F3A	126.8 (10)	O5—C12—C13	127.0 (5)
F3B—C1—F1A	125.3 (10)	O5—C12—C11	114.6 (5)
F3A—C1—F1A	118.0 (12)	C13—C12—C11	118.3 (5)
F3B—C1—F1B	100.6 (9)	C14—C13—C12	119.3 (6)
F2B—C1—F1B	108.3 (10)	C14—C13—H3	120.4
F3A—C1—F1B	64.3 (10)	C12—C13—H3	120.4
F1A—C1—F1B	74.1 (11)	O6—C14—C13	127.4 (5)
F3B—C1—F2A	55.5 (8)	O6—C14—C15	111.8 (5)
F2B—C1—F2A	66.8 (9)	C13—C14—C15	120.8 (6)
F3A—C1—F2A	92.2 (12)	F16—C15—F17	108.1 (5)
F1A—C1—F2A	100.9 (11)	F16—C15—F18	107.2 (5)
F1B—C1—F2A	147.5 (9)	F17—C15—F18	106.9 (5)
F3B—C1—C2	116.0 (9)	F16—C15—C14	110.6 (5)
F2B—C1—C2	115.4 (8)	F17—C15—C14	111.6 (5)
F3A—C1—C2	117.0 (10)	F18—C15—C14	112.2 (5)
F1A—C1—C2	117.6 (10)	C2—O1—Hf	133.0 (4)
F1B—C1—C2	106.4 (8)	C4—O2—Hf	136.3 (4)
F2A—C1—C2	104.2 (9)	C7—O3—Hf	133.8 (4)
O1—C2—C3	127.4 (5)	C9—O4—Hf	134.4 (4)
O1—C2—C1	115.0 (6)	C12—O5—Hf	133.5 (4)
C3—C2—C1	117.5 (6)	C14—O6—Hf	135.3 (4)
C4—C3—C2	120.4 (5)	Hf—O7—Hfi	112.5 (3)
C4—C3—H1	119.8	Hf—O7—H7	123.75 (12)
C2—C3—H1	119.8	Hfi—O7—H7	123.75 (12)
O2—C4—C3	127.1 (5)	Hfi—O8—Hf	113.9 (3)
O2—C4—C5	111.6 (5)	Hfi—O8—H8	123.07 (13)
C3—C4—C5	121.2 (5)	Hf—O8—H8	123.07 (13)
F5—C5—F6	108.4 (5)	O01—C02—C01	127.0 (10)
F5—C5—F4	107.1 (6)	O01—C02—C03	118.5 (9)
F6—C5—F4	107.3 (6)	C01—C02—C03	114.5 (13)
F5—C5—C4	111.8 (6)	C02—C01—H01A	109.5
F6—C5—C4	110.5 (5)	C02—C01—H01B	109.5
F4—C5—C4	111.5 (5)	H01A—C01—H01B	109.5
F7A—C6—F8B	123.9 (13)	C02—C01—H01C	109.5
F7A—C6—F9A	113.4 (8)	H01A—C01—H01C	109.5
F8B—C6—F9A	78.5 (9)	H01B—C01—H01C	109.5
F7A—C6—F9B	86.9 (10)	C02—C03—H03A	109.5
F8B—C6—F9B	109.2 (11)	C02—C03—H03B	109.5
F8B—C6—F7B	107.4 (13)	H03A—C03—H03B	109.5
F9A—C6—F7B	131.6 (10)	C02—C03—H03C	109.5
F9B—C6—F7B	110.0 (11)	H03A—C03—H03C	109.5
F7A—C6—F8A	105.0 (9)	H03B—C03—H03C	109.5
F9A—C6—F8A	101.9 (8)

D—H···A	D—H	H···A	D···A	D—H···A
O7—H7···O01	0.81 (3)	1.98 (3)	2.783 (10)	170 (1)

Hf—O1	2.258 (4)
Hf—O2	2.147 (4)
Hf—O3	2.209 (4)
Hf—O4	2.150 (4)
Hf—O5	2.238 (4)
Hf—O6	2.137 (4)
Hf—O7	2.113 (3)
Hf—O8	2.096 (3)

O2—Hf—O1	75.83 (14)
O4—Hf—O3	74.36 (16)
O6—Hf—O5	75.77 (14)
Hf—O7—Hfi	112.5 (3)
Hfi—O8—Hf	113.9 (3)

Symmetry code: (i) .

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O7—H7⋯O01	0.81 (3)	1.98 (3)	2.783 (10)	170.0 (4)