Dicaesium tetra­magnesium penta­kis­(carbonate) deca­hydrate, Cs₂Mg₄(CO₃)₅·10H₂O

The title carbonate hydrate, Cs₂Mg₄(CO₃)₅·10H₂O, was crystallized at room temperature out of aqueous solutions containing caesium bicarbonate and magnesium nitrate. Its monoclinic crystal structure (P2₁/n) consists of double chains of composition ¹_∞[Mg(H₂O)_2/1(CO₃)_3/3], isolated [Mg(H₂O)(CO₃)₂]^2– units, two crystallographically distinct Cs⁺ ions and a free water mol­ecule. The crystal under investigation was twinned by reticular pseudomerohedry.

checkCIF/PLATON results

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Datablock: I


Alert level C
PLAT084_ALERT_3_C High wR2 Value (i.e. > 0.25) ...................       0.27 Report
PLAT242_ALERT_2_C Low    MainMol Ueq as Compared to Neighbors of         C4 Check
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          1 Note
              C6 H24 Mg6 O30
PLAT911_ALERT_3_C Missing FCF Refl Between Thmin & STh/L=    0.600          3 Report
PLAT918_ALERT_3_C Reflection(s) with I(obs) much Smaller I(calc) .        124 Check
PLAT939_ALERT_3_C Large Value of Not (SHELXL) Weight Optimized S .      23.48 Check

Alert level G
PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite         29 Note
PLAT004_ALERT_5_G Polymeric Structure Found with Maximum Dimension          1 Info
PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings  Differ     Please Check
PLAT045_ALERT_1_G Calculated and Reported Z Differ by a Factor ...       0.50 Check
PLAT072_ALERT_2_G SHELXL First  Parameter in WGHT  Unusually Large       0.20 Report
PLAT172_ALERT_4_G The CIF-Embedded .res File Contains DFIX Records          5 Report
PLAT764_ALERT_4_G Overcomplete CIF Bond List Detected (Rep/Expd) .       1.84 Ratio
PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd.  #          3 Note
              H2 O
PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd.  #          5 Note
              Cs
PLAT860_ALERT_3_G Number of Least-Squares Restraints .............         19 Note
PLAT870_ALERT_4_G ALERTS Related to Twinning Effects Suppressed ..          ! Info
PLAT910_ALERT_3_G Missing # of FCF Reflection(s) Below Theta(Min).          4 Note
PLAT913_ALERT_3_G Missing # of Very Strong Reflections in FCF ....          2 Note
PLAT931_ALERT_5_G CIFcalcFCF  Twin Law ( 1 0-2)         Est.d BASF       0.51 Check

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   6 ALERT level C = Check. Ensure it is not caused by an omission or oversight
  14 ALERT level G = General information/check it is not something unexpected

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   3 ALERT type 2 Indicator that the structure model may be wrong or deficient
   7 ALERT type 3 Indicator that the structure quality may be low
   6 ALERT type 4 Improvement, methodology, query or suggestion
   2 ALERT type 5 Informative message, check

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Computing details

Data collection: X-AREA (Stoe & Cie, 2015); cell refinement: X-AREA (Stoe & Cie, 2015); data reduction: X-RED (Stoe & Cie, 2015); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2016/6 (Sheldrick, 2015); molecular graphics: DIAMOND (Brandenburg, 2017); software used to prepare material for publication: publCIF (Westrip, 2010).

Dicaesium tetramagnesium pentakis(carbonate) decahydrate

Crystal data

Cs2Mg4(CO3)5·10H2O	F(000) = 1632
Mr = 843.27	Dx = 2.444 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
a = 9.1617 (9) Å	Cell parameters from 11266 reflections
b = 19.233 (3) Å	θ = 10.0–27.5°
c = 13.0065 (13) Å	µ = 3.41 mm^−1
β = 91.136 (8)°	T = 200 K
V = 2291.4 (4) Å^3	Needle, colorless
Z = 4	0.6 × 0.45 × 0.25 mm

Data collection

STOE IPDS 2T diffractometer	37526 independent reflections
Radiation source: sealed X-ray tube, 12 x 0.4 mm long-fine focus	31786 reflections with I > 2σ(I)
Plane graphite monochromator	Rint = 0.086
Detector resolution: 6.67 pixels mm^-1	θmax = 27.5°, θmin = 2.7°
rotation method scans	h = −11→11
Absorption correction: integration (Coppens, 1970)	k = −24→24
Tmin = 0.151, Tmax = 0.439	l = −16→16
37526 measured reflections

Refinement

Refinement on F^2	19 restraints
Least-squares matrix: full	Hydrogen site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.073	Only H-atom coordinates refined
wR(F^2) = 0.274	w = 1/[σ^2(Fo^2) + (0.2P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 1.22	(Δ/σ)max = 0.001
37526 reflections	Δρmax = 3.48 e Å^−3
386 parameters	Δρmin = −2.86 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.

Refinement. Refined as a two-component twin. All H atoms were discernable from difference Fourier maps. Their U_iso values were set at 1.2U_eq(O) using a riding-model approximation, with O—H distance restraint of 0.82 (2) Å.

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

	x	y	z	Uiso*/Ueq
Cs1	1.00975 (7)	0.66121 (4)	−0.01626 (5)	0.0303 (3)
Cs2	1.32369 (7)	0.49560 (3)	0.40043 (5)	0.0264 (3)
Mg1	1.1797 (3)	0.68437 (15)	0.3146 (2)	0.0151 (6)
Mg2	0.7423 (3)	0.50315 (14)	0.2539 (2)	0.0180 (6)
Mg3	1.5193 (3)	0.68707 (16)	−0.0165 (2)	0.0149 (6)
Mg4	1.8523 (3)	0.68950 (15)	−0.3500 (2)	0.0148 (6)
C1	1.6693 (10)	0.6520 (4)	−0.1682 (7)	0.0151 (17)
C2	1.3367 (10)	0.6479 (5)	0.1655 (7)	0.0157 (17)
C3	0.9960 (9)	0.6486 (5)	0.4985 (7)	0.0159 (18)
C4	0.6528 (9)	0.3691 (5)	0.3489 (7)	0.0159 (15)
C5	0.6780 (9)	0.6242 (5)	0.3186 (6)	0.0161 (15)
O1W	0.9961 (8)	0.6901 (4)	0.2222 (6)	0.0214 (13)
H1A	0.927 (10)	0.664 (6)	0.231 (10)	0.026*
H1B	0.972 (13)	0.729 (4)	0.201 (10)	0.026*
O2W	1.3628 (8)	0.6785 (4)	0.4098 (6)	0.0226 (14)
H2A	1.437 (9)	0.678 (7)	0.378 (8)	0.027*
H2B	1.375 (14)	0.658 (6)	0.464 (6)	0.027*
O31	1.0684 (8)	0.6279 (4)	0.4208 (5)	0.0200 (13)
O21	1.3187 (7)	0.7114 (3)	0.1938 (5)	0.0185 (12)
O22	1.2623 (8)	0.6024 (3)	0.2168 (5)	0.0211 (13)
O23	1.4196 (8)	0.6297 (4)	0.0929 (5)	0.0197 (13)
O3W	1.3266 (8)	0.6867 (4)	−0.1057 (6)	0.0204 (13)
H3B	1.318 (14)	0.662 (6)	−0.157 (7)	0.025*
H3A	1.301 (13)	0.725 (4)	−0.126 (9)	0.025*
O4W	1.7042 (8)	0.6938 (4)	0.0761 (6)	0.0220 (14)
H4B	1.726 (14)	0.667 (6)	0.123 (8)	0.026*
H4A	1.734 (14)	0.731 (4)	0.102 (9)	0.026*
O5W	2.0403 (8)	0.6925 (4)	−0.2549 (6)	0.0218 (14)
H5B	2.097 (11)	0.661 (5)	−0.258 (10)	0.026*
H5A	2.074 (13)	0.730 (4)	−0.233 (10)	0.026*
O6W	1.6622 (8)	0.6890 (4)	−0.4404 (6)	0.0227 (14)
H6A	1.576 (7)	0.684 (7)	−0.421 (10)	0.027*
H6B	1.652 (14)	0.690 (7)	−0.502 (4)	0.027*
O11	1.7447 (8)	0.6338 (4)	−0.2448 (5)	0.0220 (14)
O12	1.6439 (8)	0.7159 (3)	−0.1449 (5)	0.0200 (13)
O13	1.6152 (7)	0.6063 (3)	−0.1054 (5)	0.0176 (12)
O7W	0.5600 (9)	0.5047 (3)	0.1568 (7)	0.0302 (16)
H7A	0.601 (15)	0.512 (8)	0.100 (7)	0.036*
H7B	0.527 (14)	0.545 (4)	0.156 (11)	0.036*
O8W	0.8731 (8)	0.4854 (4)	0.1256 (5)	0.0280 (14)
H8A	0.960 (7)	0.495 (6)	0.122 (12)	0.034*
H8B	0.843 (15)	0.490 (7)	0.066 (5)	0.034*
O51	0.7580 (7)	0.6121 (3)	0.2376 (5)	0.0182 (12)
O52	0.6504 (8)	0.6860 (3)	0.3457 (6)	0.0231 (13)
O41	0.7184 (8)	0.3984 (3)	0.2720 (5)	0.0241 (13)
O42	0.6027 (12)	0.4052 (5)	0.4216 (7)	0.049 (2)
O43	0.6392 (11)	0.3043 (4)	0.3508 (7)	0.040 (2)
O32	0.9441 (7)	0.6056 (3)	0.5649 (5)	0.0186 (13)
O33	0.9686 (8)	0.7136 (3)	0.5157 (5)	0.0177 (12)
O9W	0.9293 (9)	0.5041 (3)	0.3441 (6)	0.0283 (15)
H9B	0.959 (14)	0.468 (4)	0.370 (10)	0.034*
H9A	0.949 (14)	0.542 (4)	0.369 (10)	0.034*
O53	0.6312 (7)	0.5693 (4)	0.3652 (5)	0.0261 (14)
O10W	1.1733 (8)	0.4982 (3)	0.0876 (5)	0.0222 (14)
H10A	1.223 (12)	0.465 (5)	0.103 (9)	0.027*
H10B	1.214 (14)	0.531 (7)	0.128 (10)	0.027*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cs1	0.0293 (4)	0.0358 (4)	0.0260 (4)	−0.0016 (2)	0.0086 (3)	−0.0031 (2)
Cs2	0.0259 (4)	0.0232 (4)	0.0301 (4)	−0.00246 (19)	0.0027 (3)	0.0020 (2)
Mg1	0.0138 (15)	0.0184 (14)	0.0132 (15)	−0.0001 (10)	0.0024 (11)	−0.0003 (11)
Mg2	0.0192 (15)	0.0154 (14)	0.0195 (14)	−0.0015 (9)	0.0023 (12)	0.0001 (10)
Mg3	0.0136 (14)	0.0178 (14)	0.0135 (15)	0.0011 (10)	0.0036 (11)	0.0000 (10)
Mg4	0.0127 (14)	0.0188 (14)	0.0129 (15)	0.0006 (10)	0.0027 (11)	0.0000 (11)
C1	0.015 (4)	0.015 (4)	0.015 (4)	−0.002 (3)	−0.004 (3)	0.000 (3)
C2	0.016 (4)	0.018 (4)	0.013 (4)	0.003 (3)	−0.003 (3)	0.001 (3)
C3	0.014 (4)	0.018 (4)	0.015 (4)	0.001 (3)	−0.008 (3)	0.000 (3)
C4	0.010 (3)	0.023 (4)	0.015 (4)	−0.004 (3)	−0.002 (3)	0.003 (3)
C5	0.010 (4)	0.027 (4)	0.011 (4)	−0.004 (3)	0.000 (3)	0.002 (3)
O1W	0.016 (3)	0.023 (3)	0.025 (4)	−0.003 (2)	−0.001 (3)	0.003 (3)
O2W	0.017 (3)	0.035 (4)	0.016 (3)	0.002 (3)	0.002 (2)	0.006 (3)
O31	0.023 (3)	0.022 (3)	0.015 (3)	0.001 (2)	0.008 (3)	−0.004 (2)
O21	0.022 (3)	0.017 (3)	0.017 (3)	0.001 (2)	0.006 (2)	0.001 (2)
O22	0.021 (3)	0.022 (3)	0.021 (3)	−0.001 (2)	0.011 (3)	0.003 (2)
O23	0.019 (3)	0.022 (3)	0.018 (3)	0.002 (2)	0.007 (3)	0.001 (2)
O3W	0.019 (3)	0.023 (3)	0.019 (4)	0.002 (2)	0.000 (3)	−0.005 (3)
O4W	0.021 (3)	0.027 (3)	0.018 (3)	−0.001 (2)	−0.004 (3)	0.006 (3)
O5W	0.019 (3)	0.028 (3)	0.018 (3)	0.004 (2)	−0.001 (3)	−0.003 (3)
O6W	0.014 (3)	0.037 (4)	0.017 (3)	−0.004 (3)	0.000 (2)	−0.002 (3)
O11	0.025 (4)	0.026 (3)	0.016 (3)	0.000 (3)	0.010 (3)	0.002 (3)
O12	0.026 (4)	0.016 (3)	0.017 (3)	0.002 (2)	0.005 (3)	0.002 (2)
O13	0.015 (3)	0.022 (3)	0.016 (3)	−0.002 (2)	0.007 (2)	0.002 (2)
O7W	0.023 (4)	0.020 (3)	0.046 (4)	0.002 (2)	−0.011 (3)	−0.002 (3)
O8W	0.021 (3)	0.042 (4)	0.021 (3)	0.000 (3)	0.006 (3)	0.002 (3)
O51	0.020 (3)	0.016 (3)	0.019 (3)	0.001 (2)	0.004 (2)	0.001 (2)
O52	0.026 (3)	0.018 (3)	0.026 (3)	0.002 (2)	0.001 (3)	−0.001 (3)
O41	0.035 (3)	0.018 (3)	0.019 (3)	−0.008 (3)	0.007 (3)	0.002 (2)
O42	0.075 (6)	0.044 (5)	0.030 (4)	0.027 (4)	0.023 (4)	0.000 (3)
O43	0.070 (6)	0.021 (3)	0.030 (4)	−0.009 (4)	−0.007 (4)	0.009 (3)
O32	0.018 (3)	0.022 (3)	0.016 (3)	−0.001 (2)	0.005 (2)	0.002 (2)
O33	0.021 (3)	0.017 (3)	0.015 (3)	0.001 (2)	0.004 (2)	−0.001 (2)
O9W	0.030 (4)	0.019 (3)	0.035 (4)	0.000 (2)	−0.012 (3)	0.004 (3)
O53	0.030 (3)	0.019 (3)	0.029 (3)	−0.001 (2)	0.010 (3)	0.003 (3)
O10W	0.020 (3)	0.024 (4)	0.023 (3)	0.000 (2)	0.001 (3)	−0.002 (2)

Geometric parameters (Å, º)

Cs1—O4W^i	3.132 (8)	Mg1—O21	2.107 (8)
Cs1—O1W	3.156 (8)	Mg1—O22	2.171 (8)
Cs1—O5W^i	3.180 (8)	Mg2—O41	2.041 (7)
Cs1—O3W	3.187 (8)	Mg2—O9W	2.057 (9)
Cs1—O6W^ii	3.342 (8)	Mg2—O7W	2.074 (9)
Cs1—O8W^iii	3.344 (8)	Mg2—O8W	2.102 (7)
Cs1—O2W^iv	3.492 (8)	Mg2—O51	2.111 (7)
Cs1—O10W^iii	3.607 (7)	Mg2—O53	2.193 (7)
Cs1—O52^v	3.689 (7)	Mg3—O33^v	2.012 (8)
Cs1—O10W	3.718 (7)	Mg3—O23	2.032 (7)
Cs1—O43^vi	3.767 (8)	Mg3—O4W	2.063 (7)
Cs1—O11^i	3.837 (7)	Mg3—O3W	2.093 (7)
Cs1—O12^i	3.862 (7)	Mg3—O12	2.116 (8)
Cs1—O13^i	3.920 (7)	Mg3—O13	2.137 (7)
Cs1—O22	3.943 (7)	Mg4—O11	2.011 (7)
Cs1—O21	4.013 (7)	Mg4—O21^v	2.015 (7)
Cs1—O23	4.034 (7)	Mg4—O6W	2.082 (7)
Cs1—O8W	4.062 (8)	Mg4—O5W	2.101 (7)
Cs2—O42^vii	3.065 (10)	Mg4—O33^x	2.115 (8)
Cs2—O42^viii	3.099 (9)	Mg4—O32^x	2.139 (7)
Cs2—O32^vii	3.171 (7)	C1—O11	1.272 (11)
Cs2—O22	3.191 (7)	C1—O12	1.289 (11)
Cs2—O53^viii	3.195 (7)	C1—O13	1.305 (11)
Cs2—O11^ix	3.261 (7)	C2—O23	1.272 (11)
Cs2—O53^vii	3.312 (7)	C2—O21	1.286 (11)
Cs2—O31	3.470 (7)	C2—O22	1.302 (11)
Cs2—O2W	3.537 (8)	C3—O31	1.283 (11)
Cs2—O6W^ix	3.590 (8)	C3—O32	1.292 (11)
Cs2—O9W	3.676 (8)	C3—O33	1.296 (12)
Cs2—O7W^viii	3.877 (9)	C4—O43	1.252 (12)
Cs2—O9W^vii	4.090 (9)	C4—O42	1.267 (12)
Mg1—O12^ii	2.017 (7)	C4—O41	1.305 (11)
Mg1—O31	2.045 (8)	C5—O52	1.266 (12)
Mg1—O1W	2.050 (8)	C5—O53	1.296 (11)
Mg1—O2W	2.068 (7)	C5—O51	1.316 (11)
O4W^i—Cs1—O1W	62.25 (18)	O11^ix—Cs2—O9W^vii	113.60 (15)
O4W^i—Cs1—O5W^i	115.68 (19)	O53^vii—Cs2—O9W^vii	46.77 (15)
O1W—Cs1—O5W^i	158.76 (19)	O31—Cs2—O9W^vii	62.82 (15)
O4W^i—Cs1—O3W	159.55 (19)	O2W—Cs2—O9W^vii	91.69 (16)
O1W—Cs1—O3W	112.70 (19)	O6W^ix—Cs2—O9W^vii	84.43 (16)
O5W^i—Cs1—O3W	61.06 (18)	O9W—Cs2—O9W^vii	65.87 (19)
O4W^i—Cs1—O6W^ii	94.90 (19)	O7W^viii—Cs2—O9W^vii	177.29 (14)
O1W—Cs1—O6W^ii	65.32 (18)	O12^ii—Mg1—O31	104.0 (3)
O5W^i—Cs1—O6W^ii	94.64 (19)	O12^ii—Mg1—O1W	88.1 (3)
O3W—Cs1—O6W^ii	66.23 (17)	O31—Mg1—O1W	90.6 (3)
O4W^i—Cs1—O8W^iii	128.97 (18)	O12^ii—Mg1—O2W	91.7 (3)
O1W—Cs1—O8W^iii	125.86 (18)	O31—Mg1—O2W	88.6 (3)
O5W^i—Cs1—O8W^iii	73.09 (18)	O1W—Mg1—O2W	179.1 (3)
O3W—Cs1—O8W^iii	70.86 (17)	O12^ii—Mg1—O21	93.7 (3)
O6W^ii—Cs1—O8W^iii	135.78 (18)	O31—Mg1—O21	162.0 (3)
O4W^i—Cs1—O2W^iv	65.55 (17)	O1W—Mg1—O21	92.9 (3)
O1W—Cs1—O2W^iv	95.32 (18)	O2W—Mg1—O21	88.0 (3)
O5W^i—Cs1—O2W^iv	66.73 (17)	O12^ii—Mg1—O22	154.6 (3)
O3W—Cs1—O2W^iv	96.47 (18)	O31—Mg1—O22	101.2 (3)
O6W^ii—Cs1—O2W^iv	58.45 (17)	O1W—Mg1—O22	89.3 (3)
O8W^iii—Cs1—O2W^iv	138.81 (18)	O2W—Mg1—O22	91.3 (3)
O4W^i—Cs1—O10W^iii	81.63 (18)	O21—Mg1—O22	61.3 (3)
O1W—Cs1—O10W^iii	112.04 (17)	O41—Mg2—O9W	91.9 (3)
O5W^i—Cs1—O10W^iii	87.65 (17)	O41—Mg2—O7W	89.9 (3)
O3W—Cs1—O10W^iii	117.33 (17)	O9W—Mg2—O7W	176.9 (4)
O6W^ii—Cs1—O10W^iii	176.43 (18)	O41—Mg2—O8W	89.7 (3)
O8W^iii—Cs1—O10W^iii	47.59 (17)	O9W—Mg2—O8W	88.4 (3)
O2W^iv—Cs1—O10W^iii	120.32 (16)	O7W—Mg2—O8W	89.1 (3)
O4W^i—Cs1—O52^v	110.53 (17)	O41—Mg2—O51	177.6 (3)
O1W—Cs1—O52^v	111.04 (17)	O9W—Mg2—O51	89.5 (3)
O5W^i—Cs1—O52^v	48.39 (17)	O7W—Mg2—O51	88.9 (3)
O3W—Cs1—O52^v	50.97 (17)	O8W—Mg2—O51	92.3 (3)
O6W^ii—Cs1—O52^v	46.30 (17)	O41—Mg2—O53	116.4 (3)
O8W^iii—Cs1—O52^v	110.27 (17)	O9W—Mg2—O53	90.6 (3)
O2W^iv—Cs1—O52^v	45.51 (17)	O7W—Mg2—O53	90.9 (3)
O10W^iii—Cs1—O52^v	135.79 (15)	O8W—Mg2—O53	153.9 (3)
O4W^i—Cs1—O10W	112.73 (17)	O51—Mg2—O53	61.6 (3)
O1W—Cs1—O10W	79.33 (17)	O33^v—Mg3—O23	105.2 (3)
O5W^i—Cs1—O10W	118.15 (17)	O33^v—Mg3—O4W	90.5 (3)
O3W—Cs1—O10W	84.19 (17)	O23—Mg3—O4W	90.0 (3)
O6W^ii—Cs1—O10W	117.17 (16)	O33^v—Mg3—O3W	85.6 (3)
O8W^iii—Cs1—O10W	46.62 (16)	O23—Mg3—O3W	90.0 (3)
O2W^iv—Cs1—O10W	174.40 (16)	O4W—Mg3—O3W	176.0 (3)
O10W^iii—Cs1—O10W	63.82 (19)	O33^v—Mg3—O12	92.6 (3)
O52^v—Cs1—O10W	134.94 (15)	O23—Mg3—O12	162.2 (3)
O4W^i—Cs1—O43^vi	45.4 (2)	O4W—Mg3—O12	89.7 (3)
O1W—Cs1—O43^vi	44.59 (18)	O3W—Mg3—O12	91.5 (3)
O5W^i—Cs1—O43^vi	117.36 (19)	O33^v—Mg3—O13	154.5 (3)
O3W—Cs1—O43^vi	116.1 (2)	O23—Mg3—O13	100.3 (3)
O6W^ii—Cs1—O43^vi	49.9 (2)	O4W—Mg3—O13	91.2 (3)
O8W^iii—Cs1—O43^vi	169.12 (19)	O3W—Mg3—O13	92.8 (3)
O2W^iv—Cs1—O43^vi	50.96 (18)	O12—Mg3—O13	61.9 (3)
O10W^iii—Cs1—O43^vi	126.59 (19)	O11—Mg4—O21^v	103.4 (3)
O52^v—Cs1—O43^vi	80.2 (2)	O11—Mg4—O6W	88.1 (3)
O10W—Cs1—O43^vi	123.82 (17)	O21^v—Mg4—O6W	91.9 (3)
O4W^i—Cs1—O11^i	76.59 (17)	O11—Mg4—O5W	91.2 (3)
O1W—Cs1—O11^i	138.48 (17)	O21^v—Mg4—O5W	86.3 (3)
O5W^i—Cs1—O11^i	48.42 (16)	O6W—Mg4—O5W	177.9 (3)
O3W—Cs1—O11^i	107.78 (16)	O11—Mg4—O33^x	160.1 (3)
O6W^ii—Cs1—O11^i	126.97 (16)	O21^v—Mg4—O33^x	96.2 (3)
O8W^iii—Cs1—O11^i	76.01 (17)	O6W—Mg4—O33^x	88.0 (3)
O2W^iv—Cs1—O11^i	70.93 (16)	O5W—Mg4—O33^x	93.4 (3)
O10W^iii—Cs1—O11^i	53.13 (15)	O11—Mg4—O32^x	98.8 (3)
C1^i—Cs1—O11^i	19.35 (18)	O21^v—Mg4—O32^x	157.5 (3)
O52^v—Cs1—O11^i	87.38 (15)	O6W—Mg4—O32^x	92.2 (3)
O10W—Cs1—O11^i	114.21 (15)	O5W—Mg4—O32^x	89.9 (3)
O43^vi—Cs1—O11^i	108.19 (17)	O33^x—Mg4—O32^x	61.9 (3)
C2—Cs1—O11^i	162.70 (18)	O11—C1—O12	123.4 (9)
O4W^i—Cs1—O12^i	48.47 (17)	O11—C1—O13	121.6 (8)
O1W—Cs1—O12^i	109.07 (17)	O12—C1—O13	115.0 (8)
O5W^i—Cs1—O12^i	67.54 (17)	O23—C2—O21	123.8 (9)
O3W—Cs1—O12^i	126.08 (17)	O23—C2—O22	121.4 (8)
O6W^ii—Cs1—O12^i	104.30 (15)	O21—C2—O22	114.8 (8)
O8W^iii—Cs1—O12^i	109.18 (16)	O31—C3—O32	122.1 (8)
O2W^iv—Cs1—O12^i	46.65 (15)	O31—C3—O33	122.7 (9)
O10W^iii—Cs1—O12^i	74.03 (15)	O32—C3—O33	115.3 (8)
O52^v—Cs1—O12^i	83.15 (15)	O43—C4—O42	119.5 (9)
O10W—Cs1—O12^i	136.66 (15)	O43—C4—O41	119.5 (9)
O43^vi—Cs1—O12^i	74.18 (17)	O42—C4—O41	121.0 (9)
C2—Cs1—O12^i	163.24 (17)	O43—C4—Cs2^i	122.3 (7)
O11^i—Cs1—O12^i	34.05 (15)	O52—C5—O53	124.4 (8)
O4W^i—Cs1—O13^i	48.80 (16)	O52—C5—O51	120.5 (8)
O1W—Cs1—O13^i	106.49 (16)	O53—C5—O51	115.1 (8)
O5W^i—Cs1—O13^i	82.00 (16)	Mg1—O1W—Cs1	121.2 (3)
O3W—Cs1—O13^i	140.80 (16)	Mg1—O2W—Cs1^xi	114.8 (3)
O6W^ii—Cs1—O13^i	134.21 (16)	Mg1—O2W—Cs2	87.3 (3)
O8W^iii—Cs1—O13^i	87.06 (16)	Cs1^xi—O2W—Cs2	157.8 (2)
O2W^iv—Cs1—O13^i	78.95 (15)	Mg1—O2W—Cs2^xii	141.2 (3)
O10W^iii—Cs1—O13^i	43.39 (15)	Cs1^xi—O2W—Cs2^xii	103.85 (15)
O52^v—Cs1—O13^i	113.57 (14)	Cs2—O2W—Cs2^xii	53.93 (10)
O10W—Cs1—O13^i	104.06 (14)	C3—O31—Mg1	129.8 (6)
O43^vi—Cs1—O13^i	91.34 (18)	C3—O31—Cs2	130.3 (6)
O11^i—Cs1—O13^i	33.70 (13)	Mg1—O31—Cs2	89.5 (2)
O12^i—Cs1—O13^i	32.64 (14)	C3—O31—Cs2^vii	52.0 (5)
O4W^i—Cs1—O22	106.13 (16)	Mg1—O31—Cs2^vii	162.3 (3)
O1W—Cs1—O22	47.85 (16)	Cs2—O31—Cs2^vii	100.45 (15)
O5W^i—Cs1—O22	138.01 (16)	C2—O21—Mg4^ii	142.7 (7)
O3W—Cs1—O22	78.46 (16)	C2—O21—Mg1	93.6 (6)
O6W^ii—Cs1—O22	77.57 (15)	Mg4^ii—O21—Mg1	122.8 (4)
O8W^iii—Cs1—O22	84.08 (16)	C2—O21—Cs1	70.7 (5)
O2W^iv—Cs1—O22	133.02 (15)	Mg4^ii—O21—Cs1	98.3 (2)
O10W^iii—Cs1—O22	102.53 (15)	Mg1—O21—Cs1	91.1 (2)
O52^v—Cs1—O22	113.41 (14)	C2—O21—Cs1^xi	131.5 (5)
O10W—Cs1—O22	41.62 (14)	Mg4^ii—O21—Cs1^xi	71.6 (2)
O43^vi—Cs1—O22	89.08 (16)	Mg1—O21—Cs1^xi	75.9 (2)
O11^i—Cs1—O22	155.36 (15)	Cs1—O21—Cs1^xi	154.06 (17)
O12^i—Cs1—O22	154.45 (14)	C2—O21—Cs2	50.1 (5)
O13^i—Cs1—O22	132.37 (15)	Mg4^ii—O21—Cs2	161.5 (3)
O4W^i—Cs1—O21	108.32 (16)	Mg1—O21—Cs2	52.20 (17)
O1W—Cs1—O21	47.90 (16)	Cs1—O21—Cs2	99.62 (13)
O5W^i—Cs1—O21	123.01 (17)	Cs1^xi—O21—Cs2	90.13 (11)
O3W—Cs1—O21	64.93 (16)	C2—O22—Mg1	90.2 (5)
O6W^ii—Cs1—O21	46.11 (15)	C2—O22—Cs2	136.9 (5)
O8W^iii—Cs1—O21	105.33 (16)	Mg1—O22—Cs2	95.0 (2)
O2W^iv—Cs1—O21	103.78 (15)	C2—O22—Cs1	73.7 (5)
O10W^iii—Cs1—O21	134.24 (15)	Mg1—O22—Cs1	92.1 (2)
O52^v—Cs1—O21	83.76 (14)	Cs2—O22—Cs1	148.4 (2)
O10W—Cs1—O21	71.43 (14)	C2—O23—Mg3	130.8 (6)
O43^vi—Cs1—O21	72.18 (17)	C2—O23—Cs1	69.8 (5)
O11^i—Cs1—O21	170.94 (14)	Mg3—O23—Cs1	95.7 (2)
O12^i—Cs1—O21	145.47 (16)	C2—O23—Cs2	54.2 (5)
O13^i—Cs1—O21	154.19 (14)	Mg3—O23—Cs2	163.1 (3)
O22—Cs1—O21	31.80 (13)	Cs1—O23—Cs2	100.81 (14)
O4W^i—Cs1—O23	136.71 (16)	Mg3—O3W—Cs1	124.2 (3)
O1W—Cs1—O23	74.65 (16)	Mg3—O4W—Cs1^viii	119.6 (3)
O5W^i—Cs1—O23	105.83 (16)	Mg4—O5W—Cs1^viii	118.8 (3)
O3W—Cs1—O23	45.84 (16)	Mg4—O5W—Cs2^ix	42.37 (17)
O6W^ii—Cs1—O23	69.21 (16)	Cs1^viii—O5W—Cs2^ix	98.86 (18)
O8W^iii—Cs1—O23	73.66 (16)	Mg4—O6W—Cs1^v	120.2 (3)
O2W^iv—Cs1—O23	125.51 (15)	Mg4—O6W—Cs2^ix	84.0 (2)
O10W^iii—Cs1—O23	112.81 (15)	Cs1^v—O6W—Cs2^ix	155.4 (2)
O52^v—Cs1—O23	87.67 (14)	Mg4—O6W—Cs2^xiii	135.1 (3)
O10W—Cs1—O23	51.65 (15)	Cs1^v—O6W—Cs2^xiii	104.75 (15)
O43^vi—Cs1—O23	104.71 (17)	Cs2^ix—O6W—Cs2^xiii	51.31 (9)
O11^i—Cs1—O23	145.33 (16)	C1—O11—Mg4	131.9 (6)
O12^i—Cs1—O23	170.81 (14)	C1—O11—Cs2^ix	126.5 (6)
O13^i—Cs1—O23	155.54 (14)	Mg4—O11—Cs2^ix	94.3 (2)
O22—Cs1—O23	32.67 (13)	C1—O11—Cs1^viii	72.6 (5)
O21—Cs1—O23	32.57 (14)	Mg4—O11—Cs1^viii	98.2 (3)
O4W^i—Cs1—O8W	72.94 (17)	Cs2^ix—O11—Cs1^viii	134.2 (2)
O1W—Cs1—O8W	71.44 (16)	C1—O12—Mg1^v	144.5 (7)
O5W^i—Cs1—O8W	129.40 (17)	C1—O12—Mg3	92.2 (6)
O3W—Cs1—O8W	125.80 (17)	Mg1^v—O12—Mg3	123.3 (4)
O6W^ii—Cs1—O8W	135.59 (17)	C1—O12—Cs1^viii	71.5 (5)
O8W^iii—Cs1—O8W	66.15 (18)	Mg1^v—O12—Cs1^viii	103.2 (3)
O2W^iv—Cs1—O8W	137.70 (16)	Mg3—O12—Cs1^viii	93.7 (2)
O10W^iii—Cs1—O8W	42.56 (15)	C1—O12—Cs2^ix	26.0 (5)
O52^v—Cs1—O8W	176.33 (16)	Mg1^v—O12—Cs2^ix	123.9 (3)
O10W—Cs1—O8W	42.13 (15)	Mg3—O12—Cs2^ix	109.5 (2)
O43^vi—Cs1—O8W	103.32 (18)	Cs1^viii—O12—Cs2^ix	90.21 (13)
O11^i—Cs1—O8W	92.38 (15)	C1—O13—Mg3	90.8 (5)
O12^i—Cs1—O8W	98.68 (15)	C1—O13—Cs1^viii	69.1 (5)
O13^i—Cs1—O8W	67.61 (14)	Mg3—O13—Cs1^viii	91.7 (2)
O22—Cs1—O8W	66.01 (14)	C1—O13—Cs2^ix	72.2 (5)
O21—Cs1—O8W	96.34 (14)	Mg3—O13—Cs2^ix	150.0 (3)
O23—Cs1—O8W	90.46 (14)	Cs1^viii—O13—Cs2^ix	104.35 (14)
O42^vii—Cs2—O42^viii	96.5 (2)	Mg2—O7W—Cs2^i	87.6 (3)
O42^vii—Cs2—O32^vii	115.7 (2)	Mg2—O8W—Cs1^iii	131.9 (3)
O42^viii—Cs2—O32^vii	106.4 (2)	Mg2—O8W—Cs1	114.3 (3)
O42^vii—Cs2—O22	101.4 (2)	Cs1^iii—O8W—Cs1	113.85 (18)
O42^viii—Cs2—O22	124.1 (2)	C5—O51—Mg2	93.2 (5)
O32^vii—Cs2—O22	112.10 (17)	C5—O51—Cs1	156.7 (5)
O42^vii—Cs2—O53^viii	69.5 (2)	Mg2—O51—Cs1	110.1 (2)
O42^viii—Cs2—O53^viii	62.2 (2)	C5—O51—Cs2^i	44.7 (4)
O32^vii—Cs2—O53^viii	168.44 (17)	Mg2—O51—Cs2^i	57.54 (17)
O22—Cs2—O53^viii	75.52 (18)	Cs1—O51—Cs2^i	151.86 (15)
O42^vii—Cs2—O11^ix	168.8 (2)	C5—O51—Cs2^vii	41.9 (5)
O42^viii—Cs2—O11^ix	77.0 (2)	Mg2—O51—Cs2^vii	60.22 (17)
O32^vii—Cs2—O11^ix	58.68 (17)	Cs1—O51—Cs2^vii	153.67 (15)
O22—Cs2—O11^ix	89.88 (17)	Cs2^i—O51—Cs2^vii	47.04 (6)
O53^viii—Cs2—O11^ix	114.14 (17)	C5—O52—Cs1^ii	163.0 (6)
O42^vii—Cs2—O53^vii	61.2 (2)	C5—O52—Cs2^i	56.8 (5)
O42^viii—Cs2—O53^vii	67.60 (19)	Cs1^ii—O52—Cs2^i	108.13 (17)
O32^vii—Cs2—O53^vii	73.77 (17)	C5—O52—Cs2^vii	60.2 (5)
O22—Cs2—O53^vii	161.46 (17)	Cs1^ii—O52—Cs2^vii	104.91 (17)
O53^viii—Cs2—O53^vii	101.82 (15)	Cs2^i—O52—Cs2^vii	50.61 (7)
O11^ix—Cs2—O53^vii	107.61 (17)	C4—O41—Mg2	124.5 (6)
O42^vii—Cs2—O31	67.9 (2)	C4—O41—Cs1^iii	138.8 (5)
O42^viii—Cs2—O31	163.9 (2)	Mg2—O41—Cs1^iii	96.2 (2)
O32^vii—Cs2—O31	85.09 (17)	C4—O41—Cs2^i	60.1 (5)
O22—Cs2—O31	58.40 (16)	Mg2—O41—Cs2^i	73.5 (2)
O53^viii—Cs2—O31	106.45 (17)	Cs1^iii—O41—Cs2^i	152.17 (18)
O11^ix—Cs2—O31	119.04 (16)	C4—O41—Cs2^vii	56.7 (5)
O53^vii—Cs2—O31	106.15 (16)	Mg2—O41—Cs2^vii	71.9 (2)
O42^vii—Cs2—O2W	48.3 (2)	Cs1^iii—O41—Cs2^vii	149.07 (17)
O42^viii—Cs2—O2W	118.2 (2)	Cs2^i—O41—Cs2^vii	53.02 (8)
O32^vii—Cs2—O2W	133.11 (17)	C4—O42—Cs2^vii	145.8 (8)
O22—Cs2—O2W	53.27 (17)	C4—O42—Cs2^i	123.5 (7)
O53^viii—Cs2—O2W	58.31 (17)	Cs2^vii—O42—Cs2^i	83.5 (2)
O11^ix—Cs2—O2W	142.97 (17)	C4—O42—Cs1^xiv	75.4 (6)
O53^vii—Cs2—O2W	109.42 (17)	Cs2^vii—O42—Cs1^xiv	116.4 (2)
O31—Cs2—O2W	48.41 (17)	Cs2^i—O42—Cs1^xiv	112.2 (3)
O42^vii—Cs2—O6W^ix	120.0 (2)	C4—O43—Cs1^xiv	140.8 (7)
O42^viii—Cs2—O6W^ix	53.5 (2)	C4—O43—Cs2^i	44.8 (6)
O32^vii—Cs2—O6W^ix	53.01 (17)	Cs1^xiv—O43—Cs2^i	105.1 (2)
O22—Cs2—O6W^ix	138.61 (17)	C4—O43—Cs2^vii	41.1 (5)
O53^viii—Cs2—O6W^ix	115.48 (17)	Cs1^xiv—O43—Cs2^vii	102.23 (19)
O11^ix—Cs2—O6W^ix	48.78 (17)	Cs2^i—O43—Cs2^vii	49.58 (9)
O53^vii—Cs2—O6W^ix	59.37 (17)	C3—O32—Mg4^xv	91.0 (6)
O31—Cs2—O6W^ix	137.44 (17)	C3—O32—Cs2^vii	141.6 (5)
O2W—Cs2—O6W^ix	167.16 (17)	Mg4^xv—O32—Cs2^vii	94.4 (2)
O42^vii—Cs2—O9W	108.9 (2)	C3—O32—Cs2	72.2 (5)
O42^viii—Cs2—O9W	148.0 (2)	Mg4^xv—O32—Cs2	152.9 (3)
O32^vii—Cs2—O9W	45.22 (16)	Cs2^vii—O32—Cs2	112.07 (17)
O22—Cs2—O9W	70.37 (17)	C3—O33—Mg3^ii	146.5 (7)
O53^viii—Cs2—O9W	144.84 (16)	C3—O33—Mg4^xv	91.9 (6)
O11^ix—Cs2—O9W	74.59 (17)	Mg3^ii—O33—Mg4^xv	120.1 (3)
O53^vii—Cs2—O9W	107.74 (17)	C3—O33—Cs1^ii	129.4 (5)
O31—Cs2—O9W	47.24 (16)	Mg3^ii—O33—Cs1^ii	73.4 (2)
O2W—Cs2—O9W	93.49 (15)	Mg4^xv—O33—Cs1^ii	74.3 (2)
O6W^ix—Cs2—O9W	96.06 (15)	C3—O33—Cs2^vii	50.4 (5)
O42^vii—Cs2—O7W^viii	118.1 (2)	Mg3^ii—O33—Cs2^vii	160.5 (3)
O42^viii—Cs2—O7W^viii	67.99 (19)	Mg4^xv—O33—Cs2^vii	50.09 (17)
O32^vii—Cs2—O7W^viii	126.18 (17)	Cs1^ii—O33—Cs2^vii	87.18 (11)
O22—Cs2—O7W^viii	56.80 (16)	Mg2—O9W—Cs2	156.6 (4)
O53^viii—Cs2—O7W^viii	49.80 (17)	Mg2—O9W—Cs2^vii	89.1 (3)
O11^ix—Cs2—O7W^viii	68.33 (16)	Cs2—O9W—Cs2^vii	114.13 (19)
O53^vii—Cs2—O7W^viii	135.04 (16)	C5—O53—Mg2	90.1 (5)
O31—Cs2—O7W^viii	114.68 (15)	C5—O53—Cs2^i	136.9 (5)
O2W—Cs2—O7W^viii	85.72 (16)	Mg2—O53—Cs2^i	105.0 (3)
O6W^ix—Cs2—O7W^viii	98.27 (16)	C5—O53—Cs2^vii	134.6 (5)
O9W—Cs2—O7W^viii	113.43 (18)	Mg2—O53—Cs2^vii	109.7 (3)
O42^vii—Cs2—O9W^vii	60.4 (2)	Cs2^i—O53—Cs2^vii	78.18 (15)
O42^viii—Cs2—O9W^vii	114.08 (19)	Cs1^iii—O10W—Cs1	116.18 (19)
O32^vii—Cs2—O9W^vii	55.41 (16)	Cs1^iii—O10W—Cs2	112.02 (16)
O22—Cs2—O9W^vii	120.86 (16)	Cs1—O10W—Cs2	118.44 (16)
O53^viii—Cs2—O9W^vii	129.17 (16)

Symmetry codes: (i) x−1, y, z; (ii) x−1/2, −y+3/2, z+1/2; (iii) −x+2, −y+1, −z; (iv) x−1/2, −y+3/2, z−1/2; (v) x+1/2, −y+3/2, z−1/2; (vi) −x+3/2, y+1/2, −z+1/2; (vii) −x+2, −y+1, −z+1; (viii) x+1, y, z; (ix) −x+3, −y+1, −z; (x) x+1, y, z−1; (xi) x+1/2, −y+3/2, z+1/2; (xii) −x+3, −y+1, −z+1; (xiii) x, y, z−1; (xiv) −x+3/2, y−1/2, −z+1/2; (xv) x−1, y, z+1.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H1A···O51	0.82 (5)	1.85 (6)	2.658 (10)	172 (12)
O1W—H1B···O43^vi	0.83 (5)	1.89 (6)	2.686 (11)	162 (12)
O2W—H2A···O52^viii	0.80 (5)	2.01 (6)	2.783 (11)	160 (12)
O2W—H2B···O42^vii	0.81 (5)	1.93 (6)	2.734 (12)	170 (13)
O3W—H3A···O52^v	0.82 (5)	2.23 (6)	2.993 (12)	157 (11)
O3W—H3B···O41^iii	0.82 (5)	1.92 (6)	2.737 (11)	175 (12)
O4W—H4A···O43^xvi	0.82 (5)	1.93 (6)	2.724 (11)	162 (13)
O4W—H4B···O51^viii	0.82 (5)	1.84 (6)	2.661 (9)	174 (14)
O5W—H5A···O52^xvii	0.82 (5)	2.04 (6)	2.853 (10)	169 (13)
O5W—H5B···O41^ix	0.80 (5)	2.05 (6)	2.831 (10)	164 (13)
O6W—H6A···O43^iii	0.84 (5)	2.21 (6)	3.021 (13)	165 (13)
O6W—H6B···O52^x	0.81 (5)	1.98 (6)	2.783 (10)	174 (13)
O7W—H7B···O23^i	0.83 (5)	2.07 (7)	2.843 (10)	155 (13)
O8W—H8A···O10W	0.82 (5)	2.02 (6)	2.815 (10)	165 (13)
O8W—H8B···O10W^iii	0.82 (5)	2.02 (7)	2.815 (10)	164 (15)
O9W—H9A···O31	0.82 (5)	2.09 (7)	2.869 (10)	161 (13)
O9W—H9B···O32^vii	0.82 (5)	1.87 (7)	2.673 (10)	170 (13)
O10W—H10A···O13^ix	0.81 (5)	2.01 (6)	2.798 (9)	162 (13)
O10W—H10B···O22	0.90 (13)	1.84 (13)	2.730 (10)	169 (12)

Symmetry codes: (i) x−1, y, z; (iii) −x+2, −y+1, −z; (v) x+1/2, −y+3/2, z−1/2; (vi) −x+3/2, y+1/2, −z+1/2; (vii) −x+2, −y+1, −z+1; (viii) x+1, y, z; (ix) −x+3, −y+1, −z; (x) x+1, y, z−1; (xvi) −x+5/2, y+1/2, −z+1/2; (xvii) x+3/2, −y+3/2, z−1/2.