Bis[(1,4,7,10,13,16-hexa­oxocyclo­octa­decane)­caesium(I)] di-μ₂-diselenido-bis­[selenidoarsenate(III)]

The title compound, [Cs(C₁₂H₂₄O₆)]₂[As₂Se₆], contains two independent centrosymmetric [As₂Se₆]²⁻ counter-anions, in which AsSe₃ pyramids are linked by two Se—Se bonds into a chair-shaped six-membered ring. Four of the Se atoms of the first [As₂Se₆]²⁻ anion coordinate the Cs atoms of dimeric [{Cs(18-crown-6)}₂(μ-As₂Se₆)] units that are joined by additional O...Cs inter­actions into polymeric sheets. In contrast, all six Se atoms of the second [As₂Se₆]²⁻ anion coordinate Cs atoms within discrete [{Cs(18-crown-6)}₂(μ-As₂Se₆)] dimers.

Key indicators

• Single-crystal X-ray study
• T = 292 K
• Mean [sigma](C-C) = 0.018 Å
• R factor = 0.052
• wR factor = 0.123
• Data-to-parameter ratio = 18.2

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT213_ALERT_2_C Atom C14     has ADP max/min Ratio .............       3.10 prolat
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        Se3
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C11
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C14
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C17
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for       C209
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Cs1
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         18
PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) .       1.11 Ratio

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   9 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   7 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion

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Computing details

Data collection: Siemens R3m/V (Siemens, 1989); cell refinement: Siemens R3m/V; data reduction: XDISK (Siemens, 1989); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL-Plus (Sheldrick, 1995); software used to prepare material for publication: SHELXL97.

Bis[(1,4,7,10,13,16-hexaoxocyclooctadecane)caesium(I)] di-µ₂-diselenido-bis[selenidoarsenate(III)]

Crystal data

[Cs(C12H24O6)]2[As2Se6]	F(000) = 2672
Mr = 1418.04	Dx = 2.161 Mg m^−3
Monoclinic, P21/n	Melting point: not measured K
Hall symbol: -P 2yn	Mo Kα radiation, λ = 0.71073 Å
a = 21.930 (4) Å	Cell parameters from 36 reflections
b = 8.4753 (17) Å	θ = 4.6–17.1°
c = 24.041 (5) Å	µ = 8.24 mm^−1
β = 102.77 (3)°	T = 292 K
V = 4357.8 (15) Å^3	Prism, orange
Z = 4	0.23 × 0.19 × 0.14 mm

Data collection

Siemens P4 four-circle diffractometer	4539 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.059
Graphite monochromator	θmax = 25.1°, θmin = 2.6°
ω scans	h = 0→26
Absorption correction: ψ scan (XPREP in SHELXTL-Plus; Sheldrick, 1995)	k = 0→10
Tmin = 0.175, Tmax = 0.315	l = −28→27
7836 measured reflections	3 standard reflections every 100 reflections
7613 independent reflections	intensity decay: 20%

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.052	H-atom parameters constrained
wR(F^2) = 0.123	w = 1/[σ^2(Fo^2) + (0.061P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 0.94	(Δ/σ)max = 0.001
7578 reflections	Δρmax = 0.70 e Å^−3
416 parameters	Δρmin = −1.25 e Å^−3
36 restraints	Extinction correction: SHELXL97, Fc^* = kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.00070 (7)

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.

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.

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

	x	y	z	Uiso*/Ueq
Cs1	0.65676 (3)	0.28552 (8)	0.19863 (3)	0.04977 (19)
As1	0.48253 (5)	0.12388 (13)	0.07542 (5)	0.0516 (3)
Se1	0.58332 (5)	0.02933 (14)	0.06428 (4)	0.0528 (3)
Se2	0.41615 (5)	−0.09000 (13)	0.03085 (5)	0.0545 (3)
Se3	0.49823 (7)	0.03882 (16)	0.16762 (5)	0.0733 (4)
O1	0.6484 (4)	0.5254 (10)	0.0934 (3)	0.082 (3)
C2	0.6864 (7)	0.4525 (17)	0.0613 (5)	0.101 (5)
H4A	0.6794	0.4995	0.0237	0.121*
H4B	0.6764	0.3410	0.0570	0.121*
C3	0.7527 (6)	0.4738 (16)	0.0917 (6)	0.091 (5)
H5A	0.7800	0.4340	0.0682	0.109*
H5B	0.7614	0.5853	0.0983	0.109*
O4	0.7652 (4)	0.3927 (10)	0.1446 (4)	0.074 (2)
C5	0.8257 (5)	0.4168 (18)	0.1765 (6)	0.099 (5)
H7A	0.8329	0.5288	0.1833	0.118*
H7B	0.8557	0.3781	0.1555	0.118*
C6	0.8344 (5)	0.3322 (17)	0.2321 (6)	0.093 (5)
H8A	0.8244	0.2213	0.2255	0.111*
H8B	0.8776	0.3404	0.2527	0.111*
O7	0.7942 (3)	0.4007 (9)	0.2653 (3)	0.066 (2)
C8	0.8011 (6)	0.3181 (16)	0.3171 (6)	0.096 (5)
H10A	0.8446	0.3194	0.3373	0.115*
H10B	0.7884	0.2091	0.3096	0.115*
C9	0.7615 (6)	0.3936 (17)	0.3531 (5)	0.100 (5)
H11A	0.7725	0.3518	0.3916	0.119*
H11B	0.7685	0.5067	0.3549	0.119*
O10	0.6971 (5)	0.3607 (10)	0.3281 (3)	0.081 (3)
C11	0.6572 (8)	0.4276 (19)	0.3598 (6)	0.120 (6)
H13A	0.6655	0.5397	0.3648	0.144*
H13B	0.6643	0.3788	0.3972	0.144*
C12	0.5912 (7)	0.4012 (18)	0.3284 (7)	0.118 (7)
H14A	0.5837	0.2894	0.3214	0.141*
H14B	0.5626	0.4391	0.3510	0.141*
O13	0.5812 (4)	0.4863 (10)	0.2747 (5)	0.093 (3)
C14	0.5210 (6)	0.4662 (17)	0.2407 (8)	0.127 (8)
H16A	0.4900	0.4965	0.2619	0.152*
H16B	0.5144	0.3562	0.2299	0.152*
C15	0.5146 (5)	0.5661 (16)	0.1889 (7)	0.106 (6)
H17A	0.4710	0.5708	0.1692	0.127*
H17B	0.5284	0.6726	0.2000	0.127*
O16	0.5507 (4)	0.5047 (10)	0.1514 (5)	0.090 (3)
C17	0.5452 (7)	0.5930 (18)	0.1020 (7)	0.122 (7)
H1A	0.5592	0.7000	0.1119	0.146*
H1B	0.5016	0.5975	0.0822	0.146*
C18	0.5831 (7)	0.5236 (19)	0.0630 (6)	0.114 (6)
H2A	0.5697	0.4163	0.0528	0.136*
H2B	0.5776	0.5854	0.0283	0.136*
Cs2	0.67039 (3)	−0.03400 (8)	0.60686 (3)	0.04362 (18)
As2	0.53938 (6)	−0.19547 (16)	0.45584 (5)	0.0657 (4)
Se21	0.51606 (5)	−0.23203 (14)	0.54966 (5)	0.0587 (3)
Se22	0.57488 (5)	0.07754 (15)	0.45980 (5)	0.0608 (3)
Se23	0.63912 (6)	−0.28915 (16)	0.47619 (5)	0.0685 (4)
O201	0.8070 (3)	−0.1633 (7)	0.6629 (3)	0.0487 (17)
C202	0.8372 (5)	−0.1498 (12)	0.6161 (4)	0.054 (3)
H10G	0.8106	−0.1926	0.5818	0.064*
H10H	0.8761	−0.2086	0.6242	0.064*
C203	0.8500 (4)	0.0215 (12)	0.6076 (4)	0.056 (3)
H10I	0.8712	0.0681	0.6436	0.068*
H10J	0.8768	0.0322	0.5807	0.068*
O204	0.7922 (3)	0.1008 (8)	0.5864 (3)	0.0560 (19)
C205	0.7989 (5)	0.2643 (12)	0.5773 (5)	0.064 (3)
H10K	0.8222	0.2804	0.5478	0.077*
H10L	0.8219	0.3135	0.6121	0.077*
C206	0.7362 (5)	0.3368 (13)	0.5599 (5)	0.069 (3)
H10M	0.7403	0.4452	0.5482	0.082*
H10N	0.7117	0.2797	0.5276	0.082*
O207	0.7055 (3)	0.3330 (9)	0.6059 (3)	0.060 (2)
C208	0.6449 (4)	0.4060 (13)	0.5904 (5)	0.060 (3)
H11C	0.6196	0.3539	0.5573	0.072*
H11D	0.6491	0.5163	0.5812	0.072*
C209	0.6145 (6)	0.3917 (12)	0.6400 (5)	0.073 (4)
H11E	0.6413	0.4380	0.6736	0.088*
H11F	0.5752	0.4491	0.6321	0.088*
O210	0.6032 (3)	0.2303 (8)	0.6508 (3)	0.0520 (18)
C211	0.5651 (5)	0.2065 (13)	0.6908 (4)	0.058 (3)
H11G	0.5254	0.2598	0.6778	0.070*
H11H	0.5855	0.2507	0.7274	0.070*
C212	0.5544 (4)	0.0352 (13)	0.6970 (4)	0.056 (3)
H11I	0.5272	0.0186	0.7234	0.067*
H11J	0.5344	−0.0097	0.6604	0.067*
O213	0.6133 (3)	−0.0397 (8)	0.7182 (3)	0.0485 (17)
C214	0.6068 (5)	−0.2021 (11)	0.7301 (4)	0.055 (3)
H11K	0.5851	−0.2562	0.6959	0.066*
H11L	0.5826	−0.2141	0.7590	0.066*
C215	0.6704 (5)	−0.2722 (13)	0.7506 (4)	0.056 (3)
H11M	0.6934	−0.2127	0.7830	0.067*
H11N	0.6666	−0.3803	0.7627	0.067*
O216	0.7027 (3)	−0.2685 (8)	0.7060 (3)	0.0501 (17)
C217	0.7635 (4)	−0.3342 (13)	0.7223 (4)	0.056 (3)
H10C	0.7608	−0.4436	0.7334	0.067*
H10D	0.7878	−0.2768	0.7545	0.067*
C218	0.7942 (5)	−0.3236 (11)	0.6729 (5)	0.059 (3)
H10E	0.8328	−0.3835	0.6809	0.071*
H10F	0.7669	−0.3679	0.6391	0.071*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cs1	0.0514 (4)	0.0479 (4)	0.0485 (4)	0.0022 (3)	0.0076 (3)	−0.0036 (3)
As1	0.0681 (7)	0.0443 (7)	0.0457 (6)	0.0008 (5)	0.0202 (5)	−0.0005 (5)
Se1	0.0523 (6)	0.0557 (7)	0.0456 (6)	−0.0034 (5)	0.0009 (5)	0.0059 (6)
Se2	0.0563 (6)	0.0586 (7)	0.0543 (7)	−0.0084 (5)	0.0246 (5)	0.0012 (6)
Se3	0.1202 (11)	0.0649 (8)	0.0421 (7)	−0.0111 (8)	0.0335 (7)	−0.0072 (6)
O1	0.106 (7)	0.078 (6)	0.050 (5)	−0.013 (5)	−0.008 (5)	−0.002 (5)
C2	0.182 (17)	0.077 (10)	0.044 (8)	−0.021 (11)	0.028 (10)	−0.002 (8)
C3	0.132 (13)	0.070 (9)	0.096 (11)	−0.010 (9)	0.079 (11)	−0.002 (9)
O4	0.077 (6)	0.076 (6)	0.079 (6)	−0.009 (5)	0.036 (5)	−0.007 (5)
C5	0.059 (9)	0.113 (13)	0.132 (14)	−0.004 (8)	0.040 (9)	−0.040 (12)
C6	0.039 (7)	0.097 (11)	0.132 (14)	0.021 (7)	−0.002 (8)	−0.029 (10)
O7	0.061 (5)	0.057 (5)	0.071 (5)	0.009 (4)	−0.008 (4)	0.003 (5)
C8	0.080 (10)	0.084 (11)	0.098 (12)	−0.012 (8)	−0.038 (9)	−0.003 (10)
C9	0.151 (15)	0.083 (11)	0.042 (8)	−0.037 (10)	−0.028 (9)	0.007 (8)
O10	0.133 (8)	0.069 (6)	0.046 (5)	−0.007 (6)	0.027 (5)	−0.008 (4)
C11	0.21 (2)	0.100 (13)	0.082 (11)	−0.001 (14)	0.093 (13)	−0.006 (10)
C12	0.143 (15)	0.093 (12)	0.159 (17)	−0.007 (11)	0.123 (14)	0.022 (12)
O13	0.084 (7)	0.072 (6)	0.144 (9)	−0.009 (5)	0.069 (7)	−0.011 (6)
C14	0.084 (11)	0.068 (10)	0.26 (3)	0.005 (9)	0.107 (15)	−0.035 (14)
C15	0.035 (7)	0.068 (10)	0.195 (19)	0.006 (7)	−0.018 (9)	−0.060 (11)
O16	0.063 (5)	0.066 (6)	0.126 (9)	0.007 (5)	−0.010 (5)	0.004 (6)
C17	0.099 (12)	0.078 (12)	0.148 (17)	−0.019 (9)	−0.058 (12)	0.029 (12)
C18	0.145 (16)	0.083 (12)	0.088 (12)	−0.028 (11)	−0.028 (11)	0.027 (10)
Cs2	0.0419 (3)	0.0484 (4)	0.0404 (4)	0.0015 (3)	0.0090 (3)	0.0020 (3)
As2	0.0681 (8)	0.0807 (9)	0.0430 (7)	−0.0017 (7)	0.0008 (6)	−0.0045 (7)
Se21	0.0536 (6)	0.0632 (8)	0.0580 (7)	0.0028 (6)	0.0094 (5)	0.0106 (6)
Se22	0.0502 (6)	0.0830 (9)	0.0496 (7)	0.0051 (6)	0.0118 (5)	0.0129 (6)
Se23	0.0835 (8)	0.0697 (8)	0.0600 (8)	0.0175 (7)	0.0324 (6)	0.0047 (7)
O201	0.049 (4)	0.045 (4)	0.054 (4)	0.004 (3)	0.015 (3)	−0.005 (4)
C202	0.052 (6)	0.059 (7)	0.051 (7)	−0.006 (5)	0.015 (5)	−0.019 (6)
C203	0.043 (6)	0.091 (9)	0.039 (6)	−0.004 (6)	0.017 (5)	−0.017 (6)
O204	0.044 (4)	0.068 (5)	0.056 (5)	0.000 (4)	0.009 (3)	0.008 (4)
C205	0.077 (8)	0.061 (8)	0.059 (7)	−0.030 (6)	0.024 (6)	0.013 (6)
C206	0.080 (8)	0.050 (7)	0.065 (8)	−0.003 (6)	−0.008 (7)	0.021 (6)
O207	0.062 (5)	0.068 (5)	0.053 (5)	0.002 (4)	0.015 (4)	0.018 (4)
C208	0.050 (6)	0.059 (7)	0.063 (8)	−0.001 (6)	−0.006 (6)	0.009 (6)
C209	0.090 (9)	0.037 (7)	0.088 (10)	0.007 (6)	0.010 (8)	0.001 (7)
O210	0.055 (4)	0.045 (4)	0.058 (5)	0.007 (3)	0.019 (4)	−0.006 (4)
C211	0.070 (7)	0.071 (8)	0.035 (6)	0.029 (6)	0.013 (5)	−0.004 (6)
C212	0.038 (5)	0.082 (9)	0.053 (7)	0.001 (6)	0.019 (5)	0.001 (6)
O213	0.042 (4)	0.052 (4)	0.054 (4)	−0.004 (3)	0.014 (3)	−0.002 (4)
C214	0.066 (7)	0.062 (7)	0.044 (6)	−0.026 (6)	0.027 (5)	−0.008 (6)
C215	0.074 (7)	0.054 (7)	0.040 (6)	0.001 (6)	0.011 (5)	0.009 (6)
O216	0.054 (4)	0.059 (5)	0.038 (4)	0.009 (4)	0.012 (3)	0.003 (4)
C217	0.056 (7)	0.052 (7)	0.059 (7)	0.011 (5)	0.012 (5)	0.015 (6)
C218	0.055 (7)	0.053 (7)	0.070 (8)	0.006 (5)	0.015 (6)	−0.008 (6)

Geometric parameters (Å, º)

Cs1—O16	2.997 (8)	Cs2—O204	3.044 (6)
Cs1—O4	3.087 (7)	Cs2—O216	3.064 (6)
Cs1—O10	3.107 (8)	Cs2—O201	3.195 (6)
Cs1—O13	3.214 (8)	Cs2—O213	3.196 (6)
Cs1—O1	3.220 (8)	Cs2—O207	3.206 (7)
Cs1—O7	3.236 (7)	Cs2—Se23	3.7502 (16)
Cs1—O7^i	3.484 (8)	Cs2—Se21	3.7557 (15)
Cs1—Se1	3.9297 (15)	Cs2—C208	3.779 (11)
Cs1—Se3	3.9836 (17)	Cs2—Se22	3.8090 (17)
As1—Se3	2.2833 (16)	Cs2—C214	3.817 (9)
As1—Se1	2.4210 (16)	Cs2—As2	4.3242 (19)
As1—Se2	2.4214 (17)	As2—Se23	2.2762 (18)
Se1—Se2^ii	2.3466 (16)	As2—Se22	2.4364 (19)
Se2—Se1^ii	2.3466 (16)	As2—Se21	2.4404 (17)
O1—C2	1.396 (12)	Se21—Se22^iv	2.3543 (16)
O1—C18	1.458 (13)	Se22—Se21^iv	2.3543 (16)
C2—C3	1.488 (14)	O201—C218	1.418 (10)
C2—H4A	0.9700	O201—C202	1.430 (9)
C2—H4B	0.9700	C202—C203	1.501 (12)
C3—O4	1.419 (12)	C202—H10G	0.9700
C3—H5A	0.9700	C202—H10H	0.9700
C3—H5B	0.9700	C203—O204	1.426 (10)
O4—C5	1.393 (12)	C203—H10I	0.9700
C5—C6	1.492 (14)	C203—H10J	0.9700
C5—H7A	0.9700	O204—C205	1.416 (10)
C5—H7B	0.9700	C205—C206	1.480 (12)
C6—O7	1.434 (11)	C205—H10K	0.9700
C6—H8A	0.9700	C205—H10L	0.9700
C6—H8B	0.9700	C206—O207	1.417 (11)
O7—C8	1.409 (12)	C206—H10M	0.9700
O7—Cs1^iii	3.484 (8)	C206—H10N	0.9700
C8—C9	1.496 (13)	O207—C208	1.440 (10)
C8—H10A	0.9700	C208—C209	1.493 (12)
C8—H10B	0.9700	C208—H11C	0.9700
C9—O10	1.435 (12)	C208—H11D	0.9700
C9—H11A	0.9700	C209—O210	1.424 (10)
C9—H11B	0.9700	C209—H11E	0.9700
O10—C11	1.402 (12)	C209—H11F	0.9700
C11—C12	1.495 (15)	O210—C211	1.420 (10)
C11—H13A	0.9700	C211—C212	1.484 (12)
C11—H13B	0.9700	C211—H11G	0.9700
C12—O13	1.453 (13)	C211—H11H	0.9700
C12—H14A	0.9700	C212—O213	1.429 (10)
C12—H14B	0.9700	C212—H11I	0.9700
O13—C14	1.401 (14)	C212—H11J	0.9700
C14—C15	1.487 (14)	O213—C214	1.420 (10)
C14—H16A	0.9700	C214—C215	1.495 (11)
C14—H16B	0.9700	C214—H11K	0.9700
C15—O16	1.423 (12)	C214—H11L	0.9700
C15—H17A	0.9700	C215—O216	1.411 (9)
C15—H17B	0.9700	C215—H11M	0.9700
O16—C17	1.386 (13)	C215—H11N	0.9700
C17—C18	1.503 (15)	O216—C217	1.417 (10)
C17—H1A	0.9700	C217—C218	1.492 (11)
C17—H1B	0.9700	C217—H10C	0.9700
C18—H2A	0.9700	C217—H10D	0.9700
C18—H2B	0.9700	C218—H10E	0.9700
Cs2—O210	2.999 (6)	C218—H10F	0.9700
O16—Cs1—O4	105.3 (3)	O207—Cs2—Se23	123.59 (13)
O16—Cs1—O10	106.1 (3)	O210—Cs2—Se21	89.40 (13)
O4—Cs1—O10	106.6 (2)	O204—Cs2—Se21	149.39 (13)
O16—Cs1—O13	55.5 (3)	O216—Cs2—Se21	91.70 (13)
O4—Cs1—O13	128.7 (2)	O201—Cs2—Se21	133.34 (12)
O10—Cs1—O13	52.4 (3)	O213—Cs2—Se21	79.17 (12)
O16—Cs1—O1	53.6 (3)	O207—Cs2—Se21	129.02 (12)
O4—Cs1—O1	53.0 (2)	Se23—Cs2—Se21	56.80 (3)
O10—Cs1—O1	127.7 (2)	O210—Cs2—C208	39.35 (19)
O13—Cs1—O1	99.6 (3)	O204—Cs2—C208	74.2 (2)
O16—Cs1—O7	124.1 (2)	O216—Cs2—C208	136.5 (2)
O4—Cs1—O7	53.1 (2)	O201—Cs2—C208	119.08 (19)
O10—Cs1—O7	54.1 (2)	O213—Cs2—C208	91.5 (2)
O13—Cs1—O7	95.7 (2)	O207—Cs2—C208	21.88 (17)
O1—Cs1—O7	94.8 (2)	Se23—Cs2—C208	119.08 (16)
O16—Cs1—O7^i	147.7 (2)	Se21—Cs2—C208	107.58 (15)
O4—Cs1—O7^i	99.0 (2)	O210—Cs2—Se22	85.96 (13)
O10—Cs1—O7^i	86.5 (2)	O204—Cs2—Se22	94.53 (13)
O13—Cs1—O7^i	121.6 (2)	O216—Cs2—Se22	150.25 (13)
O1—Cs1—O7^i	138.4 (2)	O201—Cs2—Se22	138.47 (12)
O7—Cs1—O7^i	87.52 (11)	O213—Cs2—Se22	122.99 (11)
O16—Cs1—Se1	83.58 (19)	O207—Cs2—Se22	80.58 (13)
O4—Cs1—Se1	91.77 (16)	Se23—Cs2—Se22	53.44 (3)
O10—Cs1—Se1	155.62 (16)	Se21—Cs2—Se22	60.32 (3)
O13—Cs1—Se1	126.24 (18)	C208—Cs2—Se22	67.64 (16)
O1—Cs1—Se1	76.18 (15)	O210—Cs2—C214	73.3 (2)
O7—Cs1—Se1	137.84 (14)	O204—Cs2—C214	138.5 (2)
O7^i—Cs1—Se1	74.66 (13)	O216—Cs2—C214	38.33 (18)
O16—Cs1—Se3	71.48 (17)	O201—Cs2—C214	90.80 (19)
O4—Cs1—Se3	142.87 (16)	O213—Cs2—C214	21.06 (17)
O10—Cs1—Se3	109.81 (17)	O207—Cs2—C214	119.83 (19)
O13—Cs1—Se3	81.14 (16)	Se23—Cs2—C214	113.84 (15)
O1—Cs1—Se3	106.78 (16)	Se21—Cs2—C214	70.33 (15)
O7—Cs1—Se3	158.43 (14)	C208—Cs2—C214	112.2 (2)
O7^i—Cs1—Se3	76.33 (12)	Se22—Cs2—C214	126.36 (16)
Se1—Cs1—Se3	51.24 (3)	O210—Cs2—As2	104.20 (13)
Se3—As1—Se1	93.29 (6)	O204—Cs2—As2	115.28 (13)
Se3—As1—Se2	98.06 (6)	O216—Cs2—As2	116.38 (13)
Se1—As1—Se2	100.22 (6)	O201—Cs2—As2	129.24 (12)
Se2^ii—Se1—As1	103.69 (6)	O213—Cs2—As2	112.83 (11)
Se2^ii—Se1—Cs1	126.20 (5)	O207—Cs2—As2	114.66 (13)
As1—Se1—Cs1	86.82 (5)	Se23—Cs2—As2	31.74 (3)
Se1^ii—Se2—As1	97.77 (6)	Se21—Cs2—As2	34.25 (3)
As1—Se3—Cs1	87.37 (5)	C208—Cs2—As2	99.73 (16)
C2—O1—C18	111.0 (11)	Se22—Cs2—As2	34.12 (3)
C2—O1—Cs1	102.5 (7)	C214—Cs2—As2	104.16 (15)
C18—O1—Cs1	105.4 (7)	Se23—As2—Se22	92.26 (6)
O1—C2—C3	108.2 (10)	Se23—As2—Se21	98.32 (6)
O1—C2—H4A	110.1	Se22—As2—Se21	102.41 (6)
C3—C2—H4A	110.1	Se23—As2—Cs2	60.09 (5)
O1—C2—H4B	110.1	Se22—As2—Cs2	61.28 (4)
C3—C2—H4B	110.1	Se21—As2—Cs2	60.01 (4)
H4A—C2—H4B	108.4	Se22^iv—Se21—As2	100.73 (6)
O4—C3—C2	110.8 (10)	Se22^iv—Se21—Cs2	117.54 (5)
O4—C3—H5A	109.5	As2—Se21—Cs2	85.74 (5)
C2—C3—H5A	109.5	Se21^iv—Se22—As2	105.54 (6)
O4—C3—H5B	109.5	Se21^iv—Se22—Cs2	120.53 (5)
C2—C3—H5B	109.5	As2—Se22—Cs2	84.60 (4)
H5A—C3—H5B	108.1	As2—Se23—Cs2	88.17 (5)
C5—O4—C3	113.2 (10)	C218—O201—C202	110.6 (7)
C5—O4—Cs1	122.7 (7)	C218—O201—Cs2	101.4 (5)
C3—O4—Cs1	120.4 (7)	C202—O201—Cs2	101.3 (5)
O4—C5—C6	109.9 (11)	O201—C202—C203	108.5 (7)
O4—C5—H7A	109.7	O201—C202—H10G	110.0
C6—C5—H7A	109.7	C203—C202—H10G	110.0
O4—C5—H7B	109.7	O201—C202—H10H	110.0
C6—C5—H7B	109.7	C203—C202—H10H	110.0
H7A—C5—H7B	108.2	H10G—C202—H10H	108.4
O7—C6—C5	109.3 (10)	O204—C203—C202	109.1 (8)
O7—C6—H8A	109.8	O204—C203—H10I	109.9
C5—C6—H8A	109.8	C202—C203—H10I	109.9
O7—C6—H8B	109.8	O204—C203—H10J	109.9
C5—C6—H8B	109.8	C202—C203—H10J	109.9
H8A—C6—H8B	108.3	H10I—C203—H10J	108.3
C8—O7—C6	109.4 (10)	C205—O204—C203	113.7 (8)
C8—O7—Cs1	101.2 (6)	C205—O204—Cs2	121.2 (6)
C6—O7—Cs1	102.8 (6)	C203—O204—Cs2	120.5 (5)
C8—O7—Cs1^iii	106.1 (7)	O204—C205—C206	109.2 (8)
C6—O7—Cs1^iii	108.9 (7)	O204—C205—H10K	109.8
Cs1—O7—Cs1^iii	127.5 (2)	C206—C205—H10K	109.8
O7—C8—C9	109.7 (11)	O204—C205—H10L	109.8
O7—C8—H10A	109.7	C206—C205—H10L	109.8
C9—C8—H10A	109.7	H10K—C205—H10L	108.3
O7—C8—H10B	109.7	O207—C206—C205	109.9 (8)
C9—C8—H10B	109.7	O207—C206—H10M	109.7
H10A—C8—H10B	108.2	C205—C206—H10M	109.7
O10—C9—C8	108.4 (10)	O207—C206—H10N	109.7
O10—C9—H11A	110.0	C205—C206—H10N	109.7
C8—C9—H11A	110.0	H10M—C206—H10N	108.2
O10—C9—H11B	110.0	C206—O207—C208	111.1 (8)
C8—C9—H11B	110.0	C206—O207—Cs2	100.6 (6)
H11A—C9—H11B	108.4	C208—O207—Cs2	102.1 (6)
C11—O10—C9	111.6 (11)	O207—C208—C209	108.0 (9)
C11—O10—Cs1	123.7 (8)	O207—C208—Cs2	56.1 (5)
C9—O10—Cs1	119.8 (7)	C209—C208—Cs2	85.3 (6)
O10—C11—C12	108.4 (12)	O207—C208—H11C	110.1
O10—C11—H13A	110.0	C209—C208—H11C	110.1
C12—C11—H13A	110.0	Cs2—C208—H11C	71.4
O10—C11—H13B	110.0	O207—C208—H11D	110.1
C12—C11—H13B	110.0	C209—C208—H11D	110.1
H13A—C11—H13B	108.4	Cs2—C208—H11D	162.8
O13—C12—C11	108.3 (11)	H11C—C208—H11D	108.4
O13—C12—H14A	110.0	O210—C209—C208	110.5 (9)
C11—C12—H14A	110.0	O210—C209—H11E	109.6
O13—C12—H14B	110.0	C208—C209—H11E	109.6
C11—C12—H14B	110.0	O210—C209—H11F	109.6
H14A—C12—H14B	108.4	C208—C209—H11F	109.6
C14—O13—C12	113.3 (11)	H11E—C209—H11F	108.1
C14—O13—Cs1	98.1 (7)	C211—O210—C209	114.3 (8)
C12—O13—Cs1	104.3 (7)	C211—O210—Cs2	122.7 (6)
O13—C14—C15	108.8 (11)	C209—O210—Cs2	122.3 (6)
O13—C14—H16A	109.9	O210—C211—C212	109.7 (8)
C15—C14—H16A	109.9	O210—C211—H11G	109.7
O13—C14—H16B	109.9	C212—C211—H11G	109.7
C15—C14—H16B	109.9	O210—C211—H11H	109.7
H16A—C14—H16B	108.3	C212—C211—H11H	109.7
O16—C15—C14	111.1 (11)	H11G—C211—H11H	108.2
O16—C15—H17A	109.4	O213—C212—C211	108.6 (8)
C14—C15—H17A	109.4	O213—C212—H11I	110.0
O16—C15—H17B	109.4	C211—C212—H11I	110.0
C14—C15—H17B	109.4	O213—C212—H11J	110.0
H17A—C15—H17B	108.0	C211—C212—H11J	110.0
C17—O16—C15	112.9 (12)	H11I—C212—H11J	108.3
C17—O16—Cs1	125.0 (9)	C214—O213—C212	112.3 (7)
C15—O16—Cs1	118.7 (8)	C214—O213—Cs2	105.0 (5)
O16—C17—C18	111.5 (13)	C212—O213—Cs2	100.7 (5)
O16—C17—H1A	109.3	O213—C214—C215	108.9 (8)
C18—C17—H1A	109.3	O213—C214—Cs2	54.0 (4)
O16—C17—H1B	109.3	C215—C214—Cs2	86.1 (5)
C18—C17—H1B	109.3	O213—C214—H11K	109.9
H1A—C17—H1B	108.0	C215—C214—H11K	109.9
O1—C18—C17	107.5 (12)	Cs2—C214—H11K	73.4
O1—C18—H2A	110.2	O213—C214—H11L	109.9
C17—C18—H2A	110.2	C215—C214—H11L	109.9
O1—C18—H2B	110.2	Cs2—C214—H11L	161.4
C17—C18—H2B	110.2	H11K—C214—H11L	108.3
H2A—C18—H2B	108.5	O216—C215—C214	109.1 (8)
O210—Cs2—O204	107.09 (19)	O216—C215—H11M	109.9
O210—Cs2—O216	104.93 (17)	C214—C215—H11M	109.9
O204—Cs2—O216	107.99 (17)	O216—C215—H11N	109.9
O210—Cs2—O201	126.55 (17)	C214—C215—H11N	109.9
O204—Cs2—O201	54.70 (17)	H11M—C215—H11N	108.3
O216—Cs2—O201	54.23 (16)	C215—O216—C217	112.4 (7)
O210—Cs2—O213	53.29 (17)	C215—O216—Cs2	122.5 (5)
O204—Cs2—O213	131.38 (17)	C217—O216—Cs2	120.7 (5)
O216—Cs2—O213	53.47 (16)	O216—C217—C218	108.6 (8)
O201—Cs2—O213	98.39 (16)	O216—C217—H10C	110.0
O210—Cs2—O207	54.23 (17)	C218—C217—H10C	110.0
O204—Cs2—O207	54.10 (18)	O216—C217—H10D	110.0
O216—Cs2—O207	128.35 (18)	C218—C217—H10D	110.0
O201—Cs2—O207	97.54 (17)	H10C—C217—H10D	108.3
O213—Cs2—O207	99.20 (17)	O201—C218—C217	109.4 (8)
O210—Cs2—Se23	135.46 (13)	O201—C218—H10E	109.8
O204—Cs2—Se23	94.91 (14)	C217—C218—H10E	109.8
O216—Cs2—Se23	104.21 (13)	O201—C218—H10F	109.8
O201—Cs2—Se23	97.83 (12)	C217—C218—H10F	109.8
O213—Cs2—Se23	131.30 (12)	H10E—C218—H10F	108.2

Symmetry codes: (i) −x+3/2, y−1/2, −z+1/2; (ii) −x+1, −y, −z; (iii) −x+3/2, y+1/2, −z+1/2; (iv) −x+1, −y, −z+1.