Tetra-kis(1,2-dimethoxy-ethane-κO,O')ytterbium(II) bis-(μ(2)-phenyl-selenolato-κSe:Se)bis-[bis-(phenyl-selenolato-κSe)mercurate(II)].

The title salt, [Yb(C(4)H(10)O(2))(4)][Hg(2)(C(6)H(5)Se)(6)], consists of eight-coordinate homoleptic [Yb(DME)(4)](2+) dications (DME is 1,2-dimethoxy-ethane) countered with [Hg(2)(SePh)(6)](2-) di-anions. The cations and anions have twofold rotation and inversion symmetry, respectively. The Yb centre displays a square-anti-prismatic coordination geometry and the Hg centre has a distorted tetra-hedral coordination environment. One phenyl-selenolate anion and one methyl group of a DME ligand are disordered over two positions with equal occupancies. This structure is unique in that it represents a less common mol-ecular lanthanide species in which the lanthanide ion is not directly bonded to an anionic ligand. There are no occurrences of the [Hg(2)(SePh)(6)](2-) dianion in the Cambridge Structural Database (Version of November 2007), but there are similar oligomeric and polymeric Hg(x)(SePh)(y) species. The crystal structure is characterized by alternating layers of cations and anions stacked along the c axis.

Related literature

For the synthesis and crystal structures of related compounds see: Berardini et al. (1995 ▶); Bettenhausen & Fenske (1998 ▶); Deacon et al. (2001 ▶); Evans et al. (2000 ▶); Freedman et al. (1997 ▶); Hyeon & Edelmann (2003 ▶); Hakansson et al. (1999 ▶); Kim & Kanatzidis (1991 ▶); Magull et al. (1991 ▶); Melman et al. (2002 ▶); Allen (2002 ▶); Allen et al. (1991 ▶).

Experimental

Crystal data

[Yb(C4H10O2)4][Hg2(C6H5Se)6]

M = 1871.06

Monoclinic,

a = 22.688 (3) Å

b = 12.354 (2) Å

c = 22.843 (3) Å

β = 114.218 (3)°

V = 5839.1 (14) Å3

Z = 4

Mo Kα radiation

μ = 10.62 mm−1

T = 100 (2) K

0.17 × 0.14 × 0.02 mm

Data collection

Bruker SMART APEX CCD diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2003 ▶) T min = 0.18, T max = 0.81

26008 measured reflections

5956 independent reflections

4806 reflections with I > 2σ(I)

R int = 0.052

Refinement

R[F 2 > 2σ(F 2)] = 0.028

wR(F 2) = 0.064

S = 1.00

5956 reflections

389 parameters

734 restraints

H-atom parameters constrained

Δρmax = 1.50 e Å−3

Δρmin = −0.73 e Å−3

Data collection: SMART (Bruker, 2005 ▶); cell refinement: SAINT-Plus (Bruker, 2003 ▶); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536808019211/rz2223sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808019211/rz2223Isup2.hkl

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

[Yb(C4H10O2)4][Hg2(C6H5Se)6]	F000 = 3520
Mr = 1871.06	Dx = 2.128 Mg m−3
Monoclinic, C2/c	Mo Kα radiation λ = 0.71073 Å
Hall symbol: -C 2yc	Cell parameters from 7567 reflections
a = 22.688 (3) Å	θ = 2.4–30.5º
b = 12.354 (2) Å	µ = 10.62 mm−1
c = 22.843 (3) Å	T = 100 (2) K
β = 114.218 (3)º	Plate, yellow
V = 5839.1 (14) Å3	0.17 × 0.14 × 0.02 mm
Z = 4

Bruker SMART APEX CCD diffractometer	5956 independent reflections
Radiation source: fine-focus sealed tube	4806 reflections with I > 2σ(I)
Monochromator: graphite	Rint = 0.052
T = 100(2) K	θmax = 26.4º
φ and ω scans	θmin = 1.9º
Absorption correction: multi-scan(SADABS; Bruker, 2003)	h = −28→28
Tmin = 0.18, Tmax = 0.81	k = −15→15
26008 measured reflections	l = −28→28

Refinement on F2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.028	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.064	H-atom parameters constrained
S = 1.00	w = 1/[σ2(Fo2) + (0.025P)2 + 0.9P] where P = (Fo2 + 2Fc2)/3
5956 reflections	(Δ/σ)max = 0.001
389 parameters	Δρmax = 1.50 e Å−3
734 restraints	Δρmin = −0.73 e Å−3
280 constraints	Extinction correction: none

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 > σ(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)
Yb1	0.0000	0.07701 (2)	0.2500	0.02876 (8)
O1	0.0836 (2)	0.1319 (3)	0.20857 (19)	0.0506 (10)
O2	−0.0312 (2)	0.2322 (3)	0.1753 (2)	0.0707 (13)
O3	0.00913 (18)	−0.0821 (3)	0.18739 (19)	0.0439 (9)
O4	−0.10668 (19)	0.0251 (3)	0.15775 (19)	0.0533 (10)
C1	0.1380 (3)	0.0671 (6)	0.2132 (3)	0.0624 (17)
H1A	0.1530	0.0255	0.2521	0.094*
H1B	0.1722	0.1135	0.2136	0.094*
H1C	0.1253	0.0192	0.1770	0.094*
C2	0.0571 (4)	0.1880 (5)	0.1486 (3)	0.0626 (16)
H2A	0.0339	0.1374	0.1144	0.075*
H2B	0.0918	0.2194	0.1398	0.075*
C3	0.0133 (4)	0.2736 (6)	0.1501 (4)	0.0793 (19)
H3A	0.0380	0.3327	0.1768	0.095*
H3B	−0.0107	0.3013	0.1071	0.095*
C4A	−0.0602 (8)	0.3280 (10)	0.1864 (9)	0.061 (4)	0.50
H4A	−0.0897	0.3089	0.2053	0.092*	0.50
H4B	−0.0833	0.3646	0.1464	0.092*	0.50
H4C	−0.0272	0.3748	0.2151	0.092*	0.50
C4B	−0.0863 (6)	0.3006 (13)	0.1677 (10)	0.075 (4)	0.50
H4D	−0.1145	0.2622	0.1823	0.113*	0.50
H4E	−0.1094	0.3191	0.1232	0.113*	0.50
H4F	−0.0713	0.3654	0.1925	0.113*	0.50
C5	0.0553 (3)	−0.1652 (5)	0.2109 (4)	0.070 (2)
H5A	0.0924	−0.1389	0.2469	0.105*
H5B	0.0682	−0.1881	0.1777	0.105*
H5C	0.0369	−0.2254	0.2242	0.105*
C6	−0.0454 (3)	−0.1146 (5)	0.1329 (3)	0.0596 (16)
H6A	−0.0664	−0.1746	0.1440	0.072*
H6B	−0.0319	−0.1392	0.0999	0.072*
C7	−0.0926 (3)	−0.0226 (5)	0.1071 (3)	0.0565 (15)
H7A	−0.0745	0.0320	0.0887	0.068*
H7B	−0.1322	−0.0491	0.0734	0.068*
C8	−0.1610 (4)	0.0929 (7)	0.1291 (4)	0.091 (3)
H8A	−0.1694	0.1295	0.1620	0.137*
H8B	−0.1979	0.0500	0.1035	0.137*
H8C	−0.1527	0.1453	0.1024	0.137*
Hg1	0.072118 (8)	0.426875 (14)	0.561656 (9)	0.02549 (6)
Se1	0.10648 (3)	0.44945 (5)	0.68300 (2)	0.03980 (14)
Se2	−0.04871 (2)	0.35961 (3)	0.49222 (2)	0.02268 (10)
C9	0.1760 (2)	0.5511 (4)	0.7052 (2)	0.0340 (11)
C10	0.2013 (2)	0.5948 (4)	0.7657 (3)	0.0398 (12)
H10	0.1856	0.5718	0.7954	0.048*
C11	0.2492 (3)	0.6718 (5)	0.7837 (3)	0.0434 (13)
H11	0.2654	0.7002	0.8250	0.052*
C12	0.2731 (2)	0.7066 (5)	0.7412 (3)	0.0505 (14)
H12	0.3046	0.7603	0.7528	0.061*
C13	0.2501 (3)	0.6611 (6)	0.6810 (3)	0.0590 (17)
H13	0.2671	0.6827	0.6521	0.071*
C14	0.2019 (3)	0.5837 (5)	0.6629 (3)	0.0496 (15)
H14	0.1868	0.5536	0.6220	0.060*
C15	−0.0921 (2)	0.3620 (3)	0.5486 (2)	0.0213 (9)
C16	−0.1494 (2)	0.3053 (4)	0.5311 (2)	0.0330 (11)
H16	−0.1666	0.2694	0.4919	0.040*
C17	−0.1812 (2)	0.3015 (5)	0.5714 (3)	0.0439 (13)
H17	−0.2204	0.2652	0.5583	0.053*
C18	−0.1556 (2)	0.3506 (4)	0.6302 (2)	0.0342 (11)
H18	−0.1765	0.3456	0.6576	0.041*
C19	−0.0986 (2)	0.4075 (4)	0.6484 (2)	0.0291 (10)
H19	−0.0811	0.4417	0.6881	0.035*
C20	−0.0677 (2)	0.4141 (4)	0.6079 (2)	0.0281 (10)
H20	−0.0298	0.4540	0.6203	0.034*
Se3A	0.14624 (15)	0.36619 (19)	0.50396 (14)	0.0311 (4)	0.50
C21A	0.1583 (3)	0.2179 (5)	0.5311 (4)	0.0246 (18)	0.50
C22A	0.1111 (4)	0.1562 (5)	0.5387 (4)	0.027 (2)	0.50
H22A	0.0721	0.1891	0.5325	0.032*	0.50
C23A	0.1193 (4)	0.0471 (5)	0.5553 (4)	0.0345 (19)	0.50
H23A	0.0866	0.0076	0.5601	0.041*	0.50
C24A	0.1772 (4)	−0.0007 (6)	0.5643 (4)	0.036 (2)	0.50
H24A	0.1836	−0.0736	0.5753	0.044*	0.50
C25A	0.2267 (4)	0.0574 (6)	0.5572 (4)	0.036 (2)	0.50
H25A	0.2656	0.0242	0.5634	0.043*	0.50
C26A	0.2163 (3)	0.1663 (6)	0.5406 (4)	0.0273 (18)	0.50
H26A	0.2489	0.2059	0.5358	0.033*	0.50
Se3B	0.14874 (15)	0.3380 (2)	0.52023 (15)	0.0452 (6)	0.50
C21B	0.1398 (4)	0.1869 (5)	0.5340 (4)	0.034 (2)	0.50
C22B	0.0823 (4)	0.1404 (6)	0.5287 (4)	0.039 (2)	0.50
H22B	0.0465	0.1849	0.5196	0.047*	0.50
C23B	0.0758 (4)	0.0299 (6)	0.5365 (4)	0.048 (2)	0.50
H23B	0.0366	0.0005	0.5327	0.057*	0.50
C24B	0.1294 (5)	−0.0345 (6)	0.5500 (4)	0.055 (2)	0.50
H24B	0.1259	−0.1085	0.5553	0.066*	0.50
C25B	0.1886 (5)	0.0073 (7)	0.5559 (5)	0.050 (2)	0.50
H25B	0.2242	−0.0375	0.5650	0.059*	0.50
C26B	0.1928 (4)	0.1183 (7)	0.5477 (4)	0.046 (2)	0.50
H26B	0.2319	0.1475	0.5515	0.055*	0.50

	U11	U22	U33	U12	U13	U23
Yb1	0.05749 (19)	0.01481 (14)	0.01899 (16)	0.000	0.02075 (14)	0.000
O1	0.083 (3)	0.044 (2)	0.039 (2)	−0.0086 (18)	0.040 (2)	0.0020 (18)
O2	0.130 (3)	0.037 (2)	0.076 (3)	0.029 (2)	0.073 (3)	0.028 (2)
O3	0.053 (2)	0.0304 (18)	0.042 (2)	0.0060 (15)	0.0138 (18)	−0.0135 (16)
O4	0.059 (2)	0.064 (2)	0.032 (2)	0.0202 (19)	0.0129 (19)	0.0095 (19)
C1	0.069 (4)	0.083 (5)	0.043 (4)	−0.006 (3)	0.030 (3)	−0.005 (3)
C2	0.107 (4)	0.056 (4)	0.049 (3)	0.000 (3)	0.057 (3)	0.009 (3)
C3	0.132 (5)	0.057 (4)	0.074 (4)	0.013 (3)	0.068 (4)	0.030 (3)
C4A	0.110 (9)	0.033 (6)	0.050 (8)	0.025 (6)	0.041 (7)	0.011 (5)
C4B	0.108 (8)	0.042 (7)	0.072 (10)	0.033 (6)	0.033 (7)	0.002 (6)
C5	0.066 (4)	0.051 (4)	0.079 (5)	0.012 (3)	0.016 (3)	−0.019 (3)
C6	0.070 (4)	0.050 (3)	0.047 (4)	0.000 (3)	0.011 (3)	−0.014 (3)
C7	0.073 (4)	0.056 (3)	0.034 (3)	0.004 (3)	0.016 (3)	−0.007 (3)
C8	0.082 (4)	0.125 (6)	0.057 (5)	0.058 (4)	0.020 (4)	0.025 (4)
Hg1	0.02478 (9)	0.02907 (10)	0.02306 (11)	0.00644 (7)	0.01028 (8)	0.00076 (8)
Se1	0.0472 (3)	0.0482 (3)	0.0198 (3)	−0.0124 (2)	0.0094 (2)	0.0091 (2)
Se2	0.0279 (2)	0.0224 (2)	0.0226 (3)	−0.00359 (17)	0.0153 (2)	−0.00224 (19)
C9	0.026 (2)	0.047 (3)	0.023 (2)	0.0002 (19)	0.0041 (19)	0.006 (2)
C10	0.040 (3)	0.051 (3)	0.027 (3)	−0.004 (2)	0.013 (2)	0.004 (2)
C11	0.043 (3)	0.056 (3)	0.026 (3)	−0.006 (2)	0.009 (2)	−0.007 (2)
C12	0.031 (3)	0.071 (4)	0.040 (3)	−0.017 (3)	0.005 (2)	0.000 (3)
C13	0.045 (3)	0.099 (5)	0.030 (3)	−0.031 (3)	0.014 (3)	−0.001 (3)
C14	0.037 (3)	0.084 (4)	0.026 (3)	−0.020 (3)	0.010 (2)	−0.002 (3)
C15	0.025 (2)	0.019 (2)	0.025 (2)	0.0055 (16)	0.0151 (19)	0.0036 (18)
C16	0.025 (2)	0.051 (3)	0.026 (3)	−0.002 (2)	0.013 (2)	−0.006 (2)
C17	0.023 (2)	0.076 (4)	0.033 (3)	−0.013 (2)	0.013 (2)	−0.010 (3)
C18	0.029 (2)	0.051 (3)	0.029 (3)	0.002 (2)	0.018 (2)	−0.002 (2)
C19	0.041 (2)	0.025 (2)	0.024 (3)	−0.0010 (19)	0.016 (2)	−0.0046 (19)
C20	0.034 (2)	0.025 (2)	0.030 (3)	−0.0068 (18)	0.017 (2)	−0.0047 (19)
Se3A	0.0342 (7)	0.0292 (10)	0.0414 (11)	0.0113 (7)	0.0273 (7)	0.0129 (7)
C21A	0.028 (4)	0.029 (3)	0.020 (4)	0.003 (3)	0.013 (3)	−0.001 (3)
C22A	0.028 (4)	0.028 (4)	0.024 (4)	0.006 (3)	0.011 (4)	0.004 (4)
C23A	0.050 (4)	0.029 (4)	0.029 (4)	0.009 (3)	0.022 (4)	0.003 (3)
C24A	0.054 (4)	0.032 (4)	0.026 (4)	0.016 (3)	0.019 (4)	0.006 (4)
C25A	0.040 (4)	0.035 (4)	0.029 (4)	0.018 (3)	0.011 (4)	0.000 (4)
C26A	0.027 (4)	0.034 (4)	0.020 (4)	0.008 (3)	0.010 (3)	0.002 (4)
Se3B	0.0400 (9)	0.0440 (14)	0.069 (2)	0.0054 (9)	0.0405 (13)	−0.0030 (10)
C21B	0.041 (5)	0.038 (4)	0.020 (4)	0.015 (3)	0.010 (4)	−0.003 (4)
C22B	0.055 (5)	0.039 (4)	0.026 (5)	0.008 (4)	0.019 (5)	0.007 (4)
C23B	0.068 (5)	0.044 (4)	0.036 (5)	0.011 (4)	0.026 (5)	0.006 (4)
C24B	0.082 (5)	0.050 (5)	0.036 (5)	0.022 (4)	0.027 (5)	0.007 (4)
C25B	0.066 (4)	0.048 (4)	0.031 (5)	0.032 (4)	0.017 (4)	−0.003 (4)
C26B	0.052 (4)	0.051 (4)	0.029 (4)	0.017 (3)	0.009 (4)	−0.009 (4)

Yb1—O2	2.469 (4)	Se2—C15	1.917 (4)
Yb1—O2i	2.469 (4)	C9—C10	1.372 (7)
Yb1—O3	2.489 (3)	C9—C14	1.381 (7)
Yb1—O3i	2.489 (3)	C10—C11	1.374 (7)
Yb1—O1	2.534 (4)	C10—H10	0.9300
Yb1—O1i	2.534 (4)	C11—C12	1.360 (8)
Yb1—O4i	2.554 (4)	C11—H11	0.9300
Yb1—O4	2.555 (4)	C12—C13	1.375 (8)
O1—C2	1.430 (7)	C12—H12	0.9300
O1—C1	1.439 (7)	C13—C14	1.382 (8)
O2—C4A	1.427 (8)	C13—H13	0.9300
O2—C3	1.445 (7)	C14—H14	0.9300
O2—C4B	1.459 (9)	C15—C16	1.383 (6)
O3—C5	1.407 (7)	C15—C20	1.392 (6)
O3—C6	1.407 (7)	C16—C17	1.383 (7)
O4—C8	1.410 (7)	C16—H16	0.9300
O4—C7	1.447 (7)	C17—C18	1.368 (7)
C1—H1A	0.9600	C17—H17	0.9300
C1—H1B	0.9600	C18—C19	1.378 (6)
C1—H1C	0.9600	C18—H18	0.9300
C2—C3	1.462 (9)	C19—C20	1.372 (6)
C2—H2A	0.9700	C19—H19	0.9300
C2—H2B	0.9700	C20—H20	0.9300
C3—H3A	0.9700	Se3A—C21A	1.917 (5)
C3—H3B	0.9700	C21A—C22A	1.384 (6)
C4A—H4A	0.9600	C21A—C26A	1.396 (6)
C4A—H4B	0.9600	C22A—C23A	1.392 (6)
C4A—H4C	0.9600	C22A—H22A	0.9300
C4B—H4D	0.9600	C23A—C24A	1.377 (6)
C4B—H4E	0.9600	C23A—H23A	0.9300
C4B—H4F	0.9600	C24A—C25A	1.396 (7)
C5—H5A	0.9600	C24A—H24A	0.9300
C5—H5B	0.9600	C25A—C26A	1.392 (6)
C5—H5C	0.9600	C25A—H25A	0.9300
C6—C7	1.506 (8)	C26A—H26A	0.9300
C6—H6A	0.9700	Se3B—C21B	1.917 (6)
C6—H6B	0.9700	C21B—C22B	1.386 (6)
C7—H7A	0.9700	C21B—C26B	1.396 (6)
C7—H7B	0.9700	C22B—C23B	1.393 (6)
C8—H8A	0.9600	C22B—H22B	0.9300
C8—H8B	0.9600	C23B—C24B	1.379 (6)
C8—H8C	0.9600	C23B—H23B	0.9300
Hg1—Se3B	2.544 (3)	C24B—C25B	1.393 (7)
Hg1—Se1	2.5683 (7)	C24B—H24B	0.9300
Hg1—Se3A	2.635 (3)	C25B—C26B	1.392 (7)
Hg1—Se2	2.6747 (6)	C25B—H25B	0.9300
Hg1—Se2ii	2.8667 (6)	C26B—H26B	0.9300
Se1—C9	1.914 (5)
O2—Yb1—O2i	78.1 (2)	H8A—C8—H8B	109.5
O2—Yb1—O3	106.50 (14)	O4—C8—H8C	109.5
O2i—Yb1—O3	160.44 (15)	H8A—C8—H8C	109.5
O2—Yb1—O3i	160.44 (15)	H8B—C8—H8C	109.5
O2i—Yb1—O3i	106.50 (14)	Se3B—Hg1—Se1	119.81 (7)
O3—Yb1—O3i	75.68 (18)	Se3B—Hg1—Se3A	10.79 (6)
O2—Yb1—O1	65.21 (14)	Se1—Hg1—Se3A	126.67 (7)
O2i—Yb1—O1	90.22 (13)	Se3B—Hg1—Se2	109.62 (8)
O3—Yb1—O1	75.25 (13)	Se1—Hg1—Se2	117.211 (17)
O3i—Yb1—O1	132.63 (13)	Se3A—Hg1—Se2	108.91 (8)
O2—Yb1—O1i	90.22 (13)	Se3B—Hg1—Se2ii	105.78 (5)
O2i—Yb1—O1i	65.21 (14)	Se1—Hg1—Se2ii	106.512 (17)
O3—Yb1—O1i	132.63 (13)	Se3A—Hg1—Se2ii	95.21 (4)
O3i—Yb1—O1i	75.25 (13)	Se2—Hg1—Se2ii	93.839 (14)
O1—Yb1—O1i	148.96 (18)	C9—Se1—Hg1	102.10 (15)
O2—Yb1—O4i	132.16 (15)	C15—Se2—Hg1	106.31 (13)
O2i—Yb1—O4i	73.67 (16)	C15—Se2—Hg1ii	102.62 (12)
O3—Yb1—O4i	90.09 (13)	Hg1—Se2—Hg1ii	86.163 (14)
O3i—Yb1—O4i	66.53 (12)	C10—C9—C14	117.9 (5)
O1—Yb1—O4i	76.96 (13)	C10—C9—Se1	119.0 (4)
O1i—Yb1—O4i	111.10 (13)	C14—C9—Se1	123.1 (4)
O2—Yb1—O4	73.66 (16)	C9—C10—C11	121.7 (5)
O2i—Yb1—O4	132.16 (15)	C9—C10—H10	119.1
O3—Yb1—O4	66.53 (12)	C11—C10—H10	119.1
O3i—Yb1—O4	90.09 (13)	C12—C11—C10	120.3 (5)
O1—Yb1—O4	111.10 (13)	C12—C11—H11	119.9
O1i—Yb1—O4	76.96 (13)	C10—C11—H11	119.9
O4i—Yb1—O4	150.91 (18)	C11—C12—C13	119.0 (5)
C2—O1—C1	110.5 (4)	C11—C12—H12	120.5
C2—O1—Yb1	113.8 (4)	C13—C12—H12	120.5
C1—O1—Yb1	125.1 (3)	C12—C13—C14	120.8 (5)
C4A—O2—C3	103.0 (8)	C12—C13—H13	119.6
C3—O2—C4B	116.8 (10)	C14—C13—H13	119.6
C4A—O2—Yb1	122.9 (8)	C9—C14—C13	120.3 (6)
C3—O2—Yb1	120.1 (4)	C9—C14—H14	119.9
C4B—O2—Yb1	121.4 (10)	C13—C14—H14	119.9
C5—O3—C6	112.1 (4)	C16—C15—C20	117.8 (4)
C5—O3—Yb1	125.5 (4)	C16—C15—Se2	118.6 (3)
C6—O3—Yb1	118.9 (3)	C20—C15—Se2	123.5 (3)
C8—O4—C7	108.0 (5)	C15—C16—C17	120.6 (5)
C8—O4—Yb1	125.9 (5)	C15—C16—H16	119.7
C7—O4—Yb1	108.5 (3)	C17—C16—H16	119.7
O1—C1—H1A	109.5	C18—C17—C16	120.8 (5)
O1—C1—H1B	109.5	C18—C17—H17	119.6
H1A—C1—H1B	109.5	C16—C17—H17	119.6
O1—C1—H1C	109.5	C17—C18—C19	119.3 (4)
H1A—C1—H1C	109.5	C17—C18—H18	120.3
H1B—C1—H1C	109.5	C19—C18—H18	120.3
O1—C2—C3	110.5 (5)	C20—C19—C18	120.2 (5)
O1—C2—H2A	109.6	C20—C19—H19	119.9
C3—C2—H2A	109.6	C18—C19—H19	119.9
O1—C2—H2B	109.6	C19—C20—C15	121.3 (4)
C3—C2—H2B	109.6	C19—C20—H20	119.4
H2A—C2—H2B	108.1	C15—C20—H20	119.4
O2—C3—C2	110.3 (5)	C21A—Se3A—Hg1	98.4 (2)
O2—C3—H3A	109.6	C22A—C21A—C26A	117.2 (6)
C2—C3—H3A	109.6	C22A—C21A—Se3A	123.5 (5)
O2—C3—H3B	109.6	C26A—C21A—Se3A	119.2 (5)
C2—C3—H3B	109.6	C21A—C22A—C23A	122.9 (6)
H3A—C3—H3B	108.1	C21A—C22A—H22A	118.5
O2—C4A—H4A	109.5	C23A—C22A—H22A	118.5
O2—C4A—H4B	109.5	C24A—C23A—C22A	118.0 (7)
H4A—C4A—H4B	109.5	C24A—C23A—H23A	121.0
O2—C4A—H4C	109.5	C22A—C23A—H23A	121.0
H4A—C4A—H4C	109.5	C23A—C24A—C25A	121.7 (7)
H4B—C4A—H4C	109.5	C23A—C24A—H24A	119.1
O2—C4B—H4D	109.5	C25A—C24A—H24A	119.1
O2—C4B—H4E	109.5	C26A—C25A—C24A	118.3 (7)
H4D—C4B—H4E	109.5	C26A—C25A—H25A	120.9
O2—C4B—H4F	109.5	C24A—C25A—H25A	120.9
H4D—C4B—H4F	109.5	C25A—C26A—C21A	121.9 (6)
H4E—C4B—H4F	109.5	C25A—C26A—H26A	119.1
O3—C5—H5A	109.5	C21A—C26A—H26A	119.1
O3—C5—H5B	109.5	C21B—Se3B—Hg1	103.0 (3)
H5A—C5—H5B	109.5	C22B—C21B—C26B	117.4 (6)
O3—C5—H5C	109.5	C22B—C21B—Se3B	123.2 (5)
H5A—C5—H5C	109.5	C26B—C21B—Se3B	119.3 (6)
H5B—C5—H5C	109.5	C21B—C22B—C23B	122.7 (7)
O3—C6—C7	110.9 (5)	C21B—C22B—H22B	118.6
O3—C6—H6A	109.5	C23B—C22B—H22B	118.6
C7—C6—H6A	109.5	C24B—C23B—C22B	117.7 (7)
O3—C6—H6B	109.5	C24B—C23B—H23B	121.2
C7—C6—H6B	109.5	C22B—C23B—H23B	121.2
H6A—C6—H6B	108.0	C23B—C24B—C25B	122.3 (7)
O4—C7—C6	110.5 (5)	C23B—C24B—H24B	118.8
O4—C7—H7A	109.6	C25B—C24B—H24B	118.8
C6—C7—H7A	109.6	C26B—C25B—C24B	118.0 (7)
O4—C7—H7B	109.6	C26B—C25B—H25B	121.0
C6—C7—H7B	109.6	C24B—C25B—H25B	121.0
H7A—C7—H7B	108.1	C25B—C26B—C21B	121.9 (7)
O4—C8—H8A	109.5	C25B—C26B—H26B	119.1
O4—C8—H8B	109.5	C21B—C26B—H26B	119.1
O2—Yb1—O1—C2	−24.1 (4)	O1—C2—C3—O2	−48.0 (8)
O2i—Yb1—O1—C2	−100.9 (4)	C5—O3—C6—C7	−177.5 (5)
O3—Yb1—O1—C2	92.3 (4)	Yb1—O3—C6—C7	22.1 (7)
O3i—Yb1—O1—C2	146.2 (4)	C8—O4—C7—C6	−166.9 (6)
O1i—Yb1—O1—C2	−64.7 (4)	Yb1—O4—C7—C6	53.8 (6)
O4i—Yb1—O1—C2	−174.1 (4)	O3—C6—C7—O4	−51.4 (7)
O4—Yb1—O1—C2	35.2 (4)	Se3B—Hg1—Se1—C9	66.62 (17)
O2—Yb1—O1—C1	−165.2 (5)	Se3A—Hg1—Se1—C9	56.65 (17)
O2i—Yb1—O1—C1	118.0 (5)	Se2—Hg1—Se1—C9	−156.51 (15)
O3—Yb1—O1—C1	−48.7 (4)	Se2ii—Hg1—Se1—C9	−53.16 (15)
O3i—Yb1—O1—C1	5.1 (5)	Se3B—Hg1—Se2—C15	149.70 (14)
O1i—Yb1—O1—C1	154.2 (5)	Se1—Hg1—Se2—C15	8.74 (13)
O4i—Yb1—O1—C1	44.9 (4)	Se3A—Hg1—Se2—C15	161.11 (13)
O4—Yb1—O1—C1	−105.9 (4)	Se2ii—Hg1—Se2—C15	−102.04 (13)
O2i—Yb1—O2—C4A	−39.6 (8)	Se3B—Hg1—Se2—Hg1ii	−108.26 (5)
O3—Yb1—O2—C4A	160.0 (9)	Se1—Hg1—Se2—Hg1ii	110.779 (18)
O3i—Yb1—O2—C4A	66.4 (10)	Se3A—Hg1—Se2—Hg1ii	−96.85 (4)
O1—Yb1—O2—C4A	−135.4 (9)	Se2ii—Hg1—Se2—Hg1ii	0.0
O1i—Yb1—O2—C4A	25.0 (9)	Hg1—Se1—C9—C10	171.1 (4)
O4i—Yb1—O2—C4A	−94.3 (9)	Hg1—Se1—C9—C14	−8.3 (5)
O4—Yb1—O2—C4A	101.3 (9)	C14—C9—C10—C11	2.4 (8)
O2i—Yb1—O2—C3	93.7 (5)	Se1—C9—C10—C11	−177.0 (4)
O3—Yb1—O2—C3	−66.7 (5)	C9—C10—C11—C12	−0.2 (9)
O3i—Yb1—O2—C3	−160.3 (5)	C10—C11—C12—C13	−2.1 (9)
O1—Yb1—O2—C3	−2.2 (5)	C11—C12—C13—C14	2.1 (10)
O1i—Yb1—O2—C3	158.2 (5)	C10—C9—C14—C13	−2.4 (9)
O4i—Yb1—O2—C3	39.0 (5)	Se1—C9—C14—C13	177.1 (5)
O4—Yb1—O2—C3	−125.4 (5)	C12—C13—C14—C9	0.1 (10)
O2i—Yb1—O2—C4B	−71.0 (9)	Hg1—Se2—C15—C16	−163.3 (3)
O3—Yb1—O2—C4B	128.6 (9)	Hg1ii—Se2—C15—C16	107.0 (3)
O3i—Yb1—O2—C4B	35.0 (10)	Hg1—Se2—C15—C20	13.8 (4)
O1—Yb1—O2—C4B	−166.9 (9)	Hg1ii—Se2—C15—C20	−75.9 (4)
O1i—Yb1—O2—C4B	−6.5 (9)	C20—C15—C16—C17	0.4 (7)
O4i—Yb1—O2—C4B	−125.7 (9)	Se2—C15—C16—C17	177.7 (4)
O4—Yb1—O2—C4B	69.9 (9)	C15—C16—C17—C18	−2.2 (8)
O2—Yb1—O3—C5	143.0 (5)	C16—C17—C18—C19	2.2 (8)
O2i—Yb1—O3—C5	41.9 (7)	C17—C18—C19—C20	−0.5 (8)
O3i—Yb1—O3—C5	−57.2 (4)	C18—C19—C20—C15	−1.3 (7)
O1—Yb1—O3—C5	85.0 (5)	C16—C15—C20—C19	1.3 (7)
O1i—Yb1—O3—C5	−110.9 (5)	Se2—C15—C20—C19	−175.8 (4)
O4i—Yb1—O3—C5	8.5 (5)	Se3B—Hg1—Se3A—C21A	16.5 (7)
O4—Yb1—O3—C5	−153.6 (5)	Se1—Hg1—Se3A—C21A	70.0 (3)
O2—Yb1—O3—C6	−59.5 (4)	Se2—Hg1—Se3A—C21A	−79.1 (3)
O2i—Yb1—O3—C6	−160.6 (5)	Se2ii—Hg1—Se3A—C21A	−175.0 (3)
O3i—Yb1—O3—C6	100.4 (4)	Hg1—Se3A—C21A—C22A	35.3 (5)
O1—Yb1—O3—C6	−117.4 (4)	Hg1—Se3A—C21A—C26A	−148.2 (4)
O1i—Yb1—O3—C6	46.7 (5)	C26A—C21A—C22A—C23A	0.00 (3)
O4i—Yb1—O3—C6	166.1 (4)	Se3A—C21A—C22A—C23A	176.6 (6)
O4—Yb1—O3—C6	3.9 (4)	C21A—C22A—C23A—C24A	0.00 (3)
O2—Yb1—O4—C8	−43.4 (5)	C22A—C23A—C24A—C25A	0.00 (7)
O2i—Yb1—O4—C8	13.0 (6)	C23A—C24A—C25A—C26A	−0.01 (9)
O3—Yb1—O4—C8	−160.1 (5)	C24A—C25A—C26A—C21A	0.01 (9)
O3i—Yb1—O4—C8	125.6 (5)	C22A—C21A—C26A—C25A	−0.01 (7)
O1—Yb1—O4—C8	−97.8 (5)	Se3A—C21A—C26A—C25A	−176.8 (6)
O1i—Yb1—O4—C8	50.8 (5)	Se1—Hg1—Se3B—C21B	77.9 (3)
O4i—Yb1—O4—C8	160.9 (5)	Se3A—Hg1—Se3B—C21B	−150.0 (10)
O2—Yb1—O4—C7	86.7 (4)	Se2—Hg1—Se3B—C21B	−61.9 (3)
O2i—Yb1—O4—C7	143.0 (3)	Se2ii—Hg1—Se3B—C21B	−162.0 (3)
O3—Yb1—O4—C7	−30.1 (3)	Hg1—Se3B—C21B—C22B	34.0 (5)
O3i—Yb1—O4—C7	−104.4 (4)	Hg1—Se3B—C21B—C26B	−148.4 (4)
O1—Yb1—O4—C7	32.2 (4)	C26B—C21B—C22B—C23B	0.00 (3)
O1i—Yb1—O4—C7	−179.2 (4)	Se3B—C21B—C22B—C23B	177.6 (7)
O4i—Yb1—O4—C7	−69.1 (3)	C21B—C22B—C23B—C24B	0.00 (3)
C1—O1—C2—C3	−165.6 (6)	C22B—C23B—C24B—C25B	0.00 (7)
Yb1—O1—C2—C3	47.6 (7)	C23B—C24B—C25B—C26B	0.00 (9)
C4A—O2—C3—C2	168.1 (9)	C24B—C25B—C26B—C21B	0.01 (9)
C4B—O2—C3—C2	−167.7 (10)	C22B—C21B—C26B—C25B	−0.01 (7)
Yb1—O2—C3—C2	26.9 (8)	Se3B—C21B—C26B—C25B	−177.7 (6)

Table 1

Selected bond lengths (Å)

Yb1—O2	2.469 (4)
Yb1—O3	2.489 (3)
Yb1—O1	2.534 (4)
Yb1—O4	2.555 (4)
Hg1—Se3B	2.544 (3)
Hg1—Se1	2.5683 (7)
Hg1—Se3A	2.635 (3)
Hg1—Se2	2.6747 (6)
Hg1—Se2ii	2.8667 (6)

Symmetry codes: (i) ; (ii) .