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Mol­ecules of the title compound, [Cu4Na4(C6H5O2Si)12(C4H10O)8], are located on special positions of site symmetry \overline{4}. The Cu atoms are coordinated in a square planar fashion. The Na atoms, on the other hand, show an irregular sixfold coordination mode. The mol­ecular conformation is stabilized by O—H...O hydrogen bonds.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806007021/sg2008sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806007021/sg2008Isup2.hkl
Contains datablock I

CCDC reference: 605166

Key indicators

  • Single-crystal X-ray study
  • T = 173 K
  • Mean [sigma](C-C) = 0.009 Å
  • R factor = 0.046
  • wR factor = 0.133
  • Data-to-parameter ratio = 15.9

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT220_ALERT_2_A Large Non-Solvent C Ueq(max)/Ueq(min) ... 6.70 Ratio
Author Response: This atom belongs to a terminal butyl chain which might show signs of disorder and which was refined employing bond distance restraints.
PLAT241_ALERT_2_A Check High      Ueq as Compared to Neighbors for        C43
Author Response: This atom belongs to a terminal butyl chain which might show signs of disorder and which was refined employing bond distance restraints.
PLAT241_ALERT_2_A Check High      Ueq as Compared to Neighbors for        C52
Author Response: This atom belongs to a terminal butyl chain which might show signs of disorder and which was refined employing bond distance restraints.
PLAT242_ALERT_2_A Check Low       Ueq as Compared to Neighbors for        C51
Author Response: This atom belongs to a terminal butyl chain which might show signs of disorder and which was refined employing bond distance restraints.

Alert level B PLAT222_ALERT_3_B Large Non-Solvent H Ueq(max)/Ueq(min) ... 4.76 Ratio PLAT230_ALERT_2_B Hirshfeld Test Diff for C51 - C52 .. 10.76 su PLAT230_ALERT_2_B Hirshfeld Test Diff for C53 - C54 .. 7.83 su PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for C15
Author Response: This atom belongs to a terminal butyl chain which might show signs of disorder and which was refined employing bond distance restraints.
PLAT241_ALERT_2_B Check High      Ueq as Compared to Neighbors for        C53
Author Response: This atom belongs to a terminal butyl chain which might show signs of disorder and which was refined employing bond distance restraints.
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for        C41
Author Response: This atom belongs to a terminal butyl chain which might show signs of disorder and which was refined employing bond distance restraints.
PLAT420_ALERT_2_B D-H Without Acceptor       O41    -   H41    ...          ?

Alert level C PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.74 PLAT220_ALERT_2_C Large Non-Solvent O Ueq(max)/Ueq(min) ... 2.84 Ratio
Author Response: This atom belongs to a terminal butyl chain which might show signs of disorder and which was refined employing bond distance restraints.
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        O51
Author Response: This atom belongs to a terminal butyl chain which might show signs of disorder and which was refined employing bond distance restraints.
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C23
Author Response: This atom belongs to a terminal butyl chain which might show signs of disorder and which was refined employing bond distance restraints.
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C25
Author Response: This atom belongs to a terminal butyl chain which might show signs of disorder and which was refined employing bond distance restraints.
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C35
Author Response: This atom belongs to a terminal butyl chain which might show signs of disorder and which was refined employing bond distance restraints.
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C11
Author Response: This atom belongs to a terminal butyl chain which might show signs of disorder and which was refined employing bond distance restraints.
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C21
Author Response: This atom belongs to a terminal butyl chain which might show signs of disorder and which was refined employing bond distance restraints.
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C31
Author Response: This atom belongs to a terminal butyl chain which might show signs of disorder and which was refined employing bond distance restraints.
PLAT320_ALERT_2_C Check Hybridisation of  C52    in Main Residue .          ?
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          9
PLAT360_ALERT_2_C Short  C(sp3)-C(sp3) Bond  C42    -   C43    ...       1.43 Ang.
PLAT360_ALERT_2_C Short  C(sp3)-C(sp3) Bond  C52    -   C53    ...       1.42 Ang.
PLAT731_ALERT_1_C Bond    Calc     1.42(2), Rep    1.415(9) ......       2.22 su-Rat
              C52  -C53     1.555   1.555
PLAT731_ALERT_1_C Bond    Calc   1.481(19), Rep    1.480(9) ......       2.11 su-Rat
              C53  -C54     1.555   1.555
PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) .       1.28 Ratio

4 ALERT level A = In general: serious problem 7 ALERT level B = Potentially serious problem 16 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 22 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: X-AREA (Stoe & Cie, 2001); cell refinement: X-AREA; data reduction: X-RED (Stoe & Cie, 2001; program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: XP in SHELXTL-Plus (Sheldrick, 1991) and Mercury (Bruno et al., 2002); software used to prepare material for publication: SHELXL97 and PLATON (Spek, 2003).

Octabutanol(dodecaoxidododecaphenyl[18.4.0]dodecasiloxane)tetracopper(II) tetrasodium(I) top
Crystal data top
[Cu4Na4(C6H5O2Si)12(C4H10O)8]Dx = 1.381 Mg m3
Mr = 2585.36Mo Kα radiation, λ = 0.71073 Å
Tetragonal, I41/aCell parameters from 30540 reflections
Hall symbol: -I 4adθ = 2.0–25.3°
a = 31.3142 (14) ŵ = 0.88 mm1
c = 12.6792 (7) ÅT = 173 K
V = 12433.0 (10) Å3Block, blue
Z = 40.51 × 0.22 × 0.18 mm
F(000) = 5392
Data collection top
Stoe IPDS-II two-circle
diffractometer
5642 independent reflections
Radiation source: fine-focus sealed tube4291 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.061
ω scansθmax = 25.3°, θmin = 2.2°
Absorption correction: multi-scan
(MULABS; Spek, 2003; Blessing, 1995)
h = 3735
Tmin = 0.664, Tmax = 0.858k = 3037
41700 measured reflectionsl = 1515
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.046Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.133H-atom parameters constrained
S = 1.01 w = 1/[σ2(Fo2) + (0.0928P)2]
where P = (Fo2 + 2Fc2)/3
5642 reflections(Δ/σ)max = 0.001
354 parametersΔρmax = 1.35 e Å3
6 restraintsΔρmin = 0.49 e Å3
Special details top

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 (Å2) top
xyzUiso*/Ueq
Cu10.476259 (12)0.291925 (12)0.52615 (3)0.03444 (14)
O10.53412 (7)0.26934 (7)0.53542 (19)0.0418 (5)
O20.49247 (7)0.35073 (7)0.52842 (18)0.0430 (5)
O30.41835 (7)0.30760 (7)0.50208 (19)0.0451 (5)
Si10.57834 (3)0.29319 (3)0.56273 (7)0.0355 (2)
C110.58796 (11)0.29633 (11)0.7073 (3)0.0424 (7)
C120.55456 (14)0.30319 (15)0.7770 (3)0.0588 (10)
H120.52620.30370.75050.071*
C130.56107 (16)0.30929 (16)0.8841 (3)0.0671 (12)
H130.53750.31470.92940.081*
C140.60092 (18)0.3075 (2)0.9236 (4)0.0884 (17)
H140.60580.31200.99670.106*
C150.63461 (19)0.2991 (3)0.8561 (4)0.132 (3)
H150.66270.29700.88370.158*
C160.62800 (15)0.2937 (2)0.7499 (4)0.0892 (19)
H160.65170.28800.70520.107*
O110.61813 (7)0.26976 (7)0.50272 (17)0.0413 (5)
O120.57716 (7)0.34158 (7)0.51415 (17)0.0402 (5)
Si20.53623 (3)0.37472 (3)0.50300 (7)0.0379 (2)
C210.54552 (11)0.42085 (11)0.5924 (3)0.0449 (8)
C220.5477 (2)0.41529 (16)0.7012 (3)0.0801 (15)
H220.54350.38750.72960.096*
C230.52908 (19)0.45635 (14)0.1678 (4)0.0784 (14)
H230.50470.46030.21130.094*
C240.5622 (2)0.48879 (19)0.7304 (5)0.0894 (17)
H240.56850.51190.77660.107*
C250.5596 (2)0.49535 (17)0.6243 (5)0.100 (2)
H250.56410.52310.59640.120*
C260.5503 (2)0.46152 (14)0.5562 (4)0.0770 (14)
H260.54720.46700.48290.092*
O230.53765 (8)0.39406 (7)0.38371 (17)0.0451 (6)
Si30.53235 (3)0.37502 (3)0.26395 (7)0.0383 (2)
C310.55072 (11)0.41815 (11)0.1732 (3)0.0425 (7)
C320.5558 (2)0.4489 (2)0.7693 (4)0.0940 (18)
H320.55690.44410.84320.113*
C330.5415 (2)0.48928 (15)0.1012 (4)0.0827 (15)
H330.52490.51460.09670.099*
C340.57759 (19)0.48494 (17)0.0425 (4)0.0780 (14)
H340.58700.50760.00160.094*
C350.5998 (2)0.4484 (2)0.0475 (5)0.100 (2)
H350.62520.44560.00710.120*
C360.58642 (17)0.41423 (18)0.1109 (4)0.0791 (15)
H360.60210.38830.11080.095*
Na10.43095 (6)0.37271 (5)0.42291 (16)0.0709 (5)
O410.42985 (12)0.41312 (12)0.5813 (3)0.0831 (10)
H410.45250.39900.58750.100*
C410.4328 (2)0.4493 (2)0.6389 (5)0.0984 (19)
H41A0.45630.46700.61050.118*
H41B0.44020.44160.71240.118*
C420.3932 (3)0.4749 (4)0.6397 (8)0.181 (5)
H42A0.39950.50250.67430.217*
H42B0.38520.48110.56580.217*
C430.3571 (3)0.4563 (3)0.6910 (17)0.250 (9)
H43A0.36580.44900.76390.301*
H43B0.35060.42910.65460.301*
C440.3160 (4)0.4816 (3)0.6980 (9)0.194 (6)
H44A0.29370.46390.73010.290*
H44B0.30700.49020.62700.290*
H44C0.32060.50710.74140.290*
O510.38282 (14)0.40717 (14)0.3238 (4)0.1145 (15)
H510.38230.38150.30450.137*
C510.3435 (2)0.4242 (3)0.3138 (7)0.118 (2)
H51A0.34050.44810.36420.141*
H51B0.32200.40230.33290.141*
C520.3340 (5)0.4401 (5)0.2059 (11)0.274 (11)
H52A0.30960.45990.21490.328*
H52B0.35880.45820.18700.328*
C530.3245 (7)0.4168 (5)0.1131 (11)0.282 (10)
H53A0.29850.39990.12840.338*
H53B0.34800.39600.10370.338*
C540.3176 (4)0.4371 (4)0.0090 (10)0.211 (7)
H54A0.31310.41490.04440.317*
H54B0.34280.45410.00980.317*
H54C0.29250.45560.01240.317*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cu10.0314 (2)0.0322 (2)0.0397 (2)0.00073 (15)0.00119 (14)0.00060 (14)
O10.0320 (12)0.0350 (12)0.0585 (13)0.0004 (9)0.0051 (10)0.0035 (10)
O20.0384 (12)0.0341 (12)0.0564 (13)0.0003 (10)0.0016 (10)0.0021 (10)
O30.0348 (12)0.0372 (12)0.0633 (14)0.0001 (10)0.0035 (10)0.0063 (10)
Si10.0315 (4)0.0343 (5)0.0407 (4)0.0020 (3)0.0028 (3)0.0012 (3)
C110.0412 (18)0.0430 (18)0.0429 (16)0.0001 (14)0.0028 (13)0.0006 (13)
C120.051 (2)0.074 (3)0.051 (2)0.003 (2)0.0010 (16)0.0015 (18)
C130.072 (3)0.079 (3)0.050 (2)0.009 (2)0.010 (2)0.001 (2)
C140.087 (4)0.132 (5)0.047 (2)0.006 (3)0.013 (2)0.015 (3)
C150.062 (3)0.264 (11)0.069 (3)0.015 (5)0.023 (3)0.039 (4)
C160.046 (2)0.165 (6)0.057 (2)0.006 (3)0.0065 (19)0.021 (3)
O110.0343 (12)0.0385 (12)0.0512 (12)0.0021 (10)0.0030 (9)0.0033 (10)
O120.0359 (12)0.0360 (12)0.0487 (11)0.0020 (9)0.0022 (9)0.0001 (9)
Si20.0398 (5)0.0324 (4)0.0414 (4)0.0027 (4)0.0048 (3)0.0015 (3)
C210.0436 (19)0.0403 (19)0.0507 (18)0.0032 (15)0.0028 (14)0.0091 (14)
C220.124 (5)0.060 (3)0.056 (2)0.005 (3)0.016 (3)0.011 (2)
C230.103 (4)0.047 (2)0.085 (3)0.009 (2)0.026 (3)0.011 (2)
C240.097 (4)0.074 (4)0.097 (4)0.008 (3)0.002 (3)0.048 (3)
C250.150 (6)0.044 (3)0.106 (4)0.017 (3)0.011 (4)0.020 (3)
C260.128 (5)0.040 (2)0.064 (2)0.009 (2)0.002 (3)0.0067 (18)
O230.0558 (15)0.0360 (12)0.0435 (12)0.0036 (11)0.0063 (10)0.0006 (9)
Si30.0389 (5)0.0323 (4)0.0438 (5)0.0004 (4)0.0041 (4)0.0011 (3)
C310.0475 (19)0.0382 (18)0.0417 (16)0.0037 (14)0.0039 (14)0.0025 (13)
C320.131 (5)0.087 (4)0.064 (3)0.005 (4)0.016 (3)0.027 (3)
C330.121 (5)0.045 (3)0.082 (3)0.002 (3)0.007 (3)0.010 (2)
C340.098 (4)0.072 (3)0.064 (3)0.021 (3)0.005 (3)0.022 (2)
C350.079 (4)0.118 (5)0.103 (4)0.005 (3)0.034 (3)0.042 (4)
C360.076 (3)0.082 (3)0.079 (3)0.023 (3)0.020 (2)0.026 (2)
Na10.0568 (10)0.0503 (9)0.1055 (13)0.0042 (8)0.0031 (9)0.0215 (9)
O410.085 (2)0.084 (2)0.081 (2)0.0325 (19)0.0094 (18)0.0025 (18)
C410.129 (6)0.088 (4)0.078 (3)0.020 (4)0.019 (3)0.014 (3)
C420.218 (13)0.165 (10)0.160 (8)0.053 (9)0.066 (8)0.035 (7)
C430.138 (10)0.099 (7)0.51 (3)0.017 (7)0.036 (14)0.001 (12)
C440.288 (16)0.108 (7)0.185 (9)0.027 (8)0.108 (10)0.007 (6)
O510.085 (3)0.077 (3)0.181 (5)0.007 (2)0.022 (3)0.003 (3)
C510.071 (4)0.134 (6)0.148 (6)0.030 (4)0.004 (4)0.011 (5)
C520.200 (15)0.200 (16)0.42 (3)0.016 (12)0.153 (17)0.069 (17)
C530.28 (2)0.173 (15)0.40 (3)0.033 (14)0.05 (2)0.047 (17)
C540.211 (13)0.195 (12)0.227 (12)0.080 (10)0.086 (10)0.121 (10)
Geometric parameters (Å, º) top
Cu1—O31.903 (2)Si3—O3iii1.585 (2)
Cu1—O21.910 (2)Si3—O11ii1.659 (2)
Cu1—O11.949 (2)Si3—C311.865 (3)
Cu1—O1i1.949 (2)Si3—Na1iii3.4235 (19)
Cu1—Cu1i3.0175 (7)C31—C361.374 (6)
Cu1—Na13.1822 (17)C32—H320.9500
O1—Si11.611 (2)C33—C341.360 (8)
O1—Cu1i1.949 (2)C33—H330.9500
O2—Si21.596 (2)C34—C351.340 (8)
O2—Na12.444 (3)C34—H340.9500
O3—Si3ii1.585 (2)C35—C361.404 (7)
O3—Na12.307 (3)C35—H350.9500
Si1—O111.634 (2)C36—H360.9500
Si1—O121.636 (2)Na1—O512.239 (5)
Si1—C111.861 (3)Na1—O412.374 (4)
Si1—Na1iii3.393 (2)Na1—O11ii2.713 (3)
C11—C161.368 (6)Na1—O12ii2.856 (3)
C11—C121.386 (5)Na1—Si1ii3.393 (2)
C12—C131.386 (6)Na1—Si3ii3.4236 (19)
C12—H120.9500O41—C411.350 (7)
C13—C141.346 (7)O41—H410.8400
C13—H130.9500C41—C421.476 (8)
C14—C151.384 (8)C41—H41A0.9900
C14—H140.9500C41—H41B0.9900
C15—C161.372 (7)C42—C431.428 (9)
C15—H150.9500C42—H42A0.9900
C16—H160.9500C42—H42B0.9900
O11—Si3iii1.659 (2)C43—C441.514 (9)
O11—Na1iii2.713 (3)C43—H43A0.9900
O12—Si21.655 (2)C43—H43B0.9900
O12—Na1iii2.856 (3)C44—H44A0.9800
Si2—O231.630 (2)C44—H44B0.9800
Si2—C211.859 (3)C44—H44C0.9800
Si2—Na13.450 (2)O51—C511.349 (7)
C21—C261.362 (6)O51—H510.8400
C21—C221.391 (6)C51—C521.486 (9)
C22—C321.386 (7)C51—H51A0.9900
C22—H220.9500C51—H51B0.9900
C23—C311.377 (6)C52—C531.415 (9)
C23—C331.388 (7)C52—H52A0.9900
C23—H230.9500C52—H52B0.9900
C24—C321.357 (9)C53—C541.480 (9)
C24—C251.364 (8)C53—H53A0.9900
C24—H240.9500C53—H53B0.9900
C25—C261.397 (7)C54—H54A0.9800
C25—H250.9500C54—H54B0.9800
C26—H260.9500C54—H54C0.9800
O23—Si31.640 (2)
O3—Cu1—O290.40 (10)C33—C34—H34120.3
O3—Cu1—O1171.58 (10)C34—C35—C36121.5 (5)
O2—Cu1—O195.84 (10)C34—C35—H35119.2
O3—Cu1—O1i96.00 (10)C36—C35—H35119.2
O2—Cu1—O1i172.77 (10)C31—C36—C35120.3 (5)
O1—Cu1—O1i78.13 (10)C31—C36—H36119.9
O3—Cu1—Cu1i133.94 (7)C35—C36—H36119.9
O2—Cu1—Cu1i135.06 (7)O51—Na1—O3123.71 (16)
O1—Cu1—Cu1i39.28 (7)O51—Na1—O41102.01 (17)
O1i—Cu1—Cu1i39.27 (7)O3—Na1—O4195.76 (13)
O3—Cu1—Na145.91 (8)O51—Na1—O2166.71 (16)
O2—Cu1—Na150.09 (8)O3—Na1—O269.37 (9)
O1—Cu1—Na1136.72 (8)O41—Na1—O272.45 (11)
O1i—Cu1—Na1137.12 (8)O51—Na1—O11ii87.01 (16)
Cu1i—Cu1—Na1155.71 (4)O3—Na1—O11ii114.07 (11)
Si1—O1—Cu1130.09 (13)O41—Na1—O11ii136.95 (13)
Si1—O1—Cu1i127.78 (13)O2—Na1—O11ii89.19 (9)
Cu1—O1—Cu1i101.45 (10)O51—Na1—O12ii66.95 (15)
Si2—O2—Cu1132.78 (14)O3—Na1—O12ii82.97 (9)
Si2—O2—Na1115.70 (13)O41—Na1—O12ii164.82 (13)
Cu1—O2—Na193.08 (10)O2—Na1—O12ii120.56 (10)
Si3ii—O3—Cu1135.10 (15)O11ii—Na1—O12ii55.43 (8)
Si3ii—O3—Na1122.14 (14)O51—Na1—Cu1156.06 (14)
Cu1—O3—Na197.74 (11)O3—Na1—Cu136.35 (6)
O1—Si1—O11110.31 (12)O41—Na1—Cu194.71 (10)
O1—Si1—O12109.21 (12)O2—Na1—Cu136.83 (6)
O11—Si1—O12104.95 (12)O11ii—Na1—Cu192.40 (7)
O1—Si1—C11112.05 (15)O12ii—Na1—Cu193.13 (7)
O11—Si1—C11111.06 (14)O51—Na1—Si1ii82.18 (16)
O12—Si1—C11109.00 (14)O3—Na1—Si1ii93.56 (9)
O1—Si1—Na1iii105.87 (10)O41—Na1—Si1ii165.16 (12)
O11—Si1—Na1iii52.04 (9)O2—Na1—Si1ii100.28 (8)
O12—Si1—Na1iii57.09 (9)O11ii—Na1—Si1ii28.34 (5)
C11—Si1—Na1iii142.07 (12)O12ii—Na1—Si1ii28.75 (5)
C16—C11—C12116.7 (3)Cu1—Na1—Si1ii86.00 (5)
C16—C11—Si1122.3 (3)O51—Na1—Si3ii100.66 (13)
C12—C11—Si1121.0 (3)O3—Na1—Si3ii23.07 (6)
C13—C12—C11122.4 (4)O41—Na1—Si3ii103.61 (11)
C13—C12—H12118.8O2—Na1—Si3ii92.45 (7)
C11—C12—H12118.8O11ii—Na1—Si3ii116.07 (8)
C14—C13—C12119.7 (4)O12ii—Na1—Si3ii69.81 (6)
C14—C13—H13120.2Cu1—Na1—Si3ii58.33 (3)
C12—C13—H13120.2Si1ii—Na1—Si3ii89.41 (5)
C13—C14—C15119.0 (4)O51—Na1—Si2143.08 (14)
C13—C14—H14120.5O3—Na1—Si292.95 (8)
C15—C14—H14120.5O41—Na1—Si275.82 (10)
C16—C15—C14121.0 (5)O2—Na1—Si224.63 (6)
C16—C15—H15119.5O11ii—Na1—Si272.48 (6)
C14—C15—H15119.5O12ii—Na1—Si2119.31 (8)
C11—C16—C15121.2 (5)Cu1—Na1—Si257.82 (3)
C11—C16—H16119.4Si1ii—Na1—Si292.21 (5)
C15—C16—H16119.4Si3ii—Na1—Si2115.81 (5)
Si1—O11—Si3iii126.87 (14)C41—O41—Na1154.6 (4)
Si1—O11—Na1iii99.62 (11)C41—O41—H41109.5
Si3iii—O11—Na1iii116.61 (11)Na1—O41—H4177.7
Si1—O12—Si2129.08 (15)O41—C41—C42113.8 (7)
Si1—O12—Na1iii94.16 (10)O41—C41—H41A108.8
Si2—O12—Na1iii118.08 (11)C42—C41—H41A108.8
O2—Si2—O23112.70 (13)O41—C41—H41B108.8
O2—Si2—O12110.63 (12)C42—C41—H41B108.8
O23—Si2—O12106.92 (13)H41A—C41—H41B107.7
O2—Si2—C21112.15 (15)C43—C42—C41116.5 (9)
O23—Si2—C21105.85 (15)C43—C42—H42A108.2
O12—Si2—C21108.29 (14)C41—C42—H42A108.2
O23—Si2—Na176.10 (10)C43—C42—H42B108.2
O12—Si2—Na1138.90 (9)C41—C42—H42B108.2
C21—Si2—Na1110.07 (12)H42A—C42—H42B107.3
C26—C21—C22116.5 (4)C42—C43—C44119.1 (10)
C26—C21—Si2122.5 (3)C42—C43—H43A107.5
C22—C21—Si2121.0 (3)C44—C43—H43A107.5
C32—C22—C21122.1 (5)C42—C43—H43B107.5
C32—C22—H22118.9C44—C43—H43B107.5
C21—C22—H22118.9H43A—C43—H43B107.0
C31—C23—C33122.5 (5)C43—C44—H44A109.5
C31—C23—H23118.7C43—C44—H44B109.5
C33—C23—H23118.7H44A—C44—H44B109.5
C32—C24—C25119.2 (4)C43—C44—H44C109.5
C32—C24—H24120.4H44A—C44—H44C109.5
C25—C24—H24120.4H44B—C44—H44C109.5
C24—C25—C26120.6 (5)C51—O51—Na1149.1 (5)
C24—C25—H25119.7C51—O51—H51109.5
C26—C25—H25119.7Na1—O51—H5173.4
C21—C26—C25121.5 (5)O51—C51—C52113.7 (9)
C21—C26—H26119.2O51—C51—H51A108.8
C25—C26—H26119.2C52—C51—H51A108.8
Si2—O23—Si3136.19 (16)O51—C51—H51B108.8
O3iii—Si3—O23112.32 (13)C52—C51—H51B108.8
O3iii—Si3—O11ii111.29 (12)H51A—C51—H51B107.7
O23—Si3—O11ii105.36 (13)C53—C52—C51129.4 (13)
O3iii—Si3—C31112.79 (15)C53—C52—H52A104.9
O23—Si3—C31106.07 (14)C51—C52—H52A104.9
O11ii—Si3—C31108.60 (14)C53—C52—H52B104.9
O23—Si3—Na1iii83.44 (10)C51—C52—H52B104.9
O11ii—Si3—Na1iii140.90 (9)H52A—C52—H52B105.8
C31—Si3—Na1iii105.06 (12)C52—C53—C54123.4 (13)
C36—C31—C23116.7 (4)C52—C53—H53A106.5
C36—C31—Si3122.7 (3)C54—C53—H53A106.5
C23—C31—Si3120.5 (3)C52—C53—H53B106.5
C24—C32—C22120.0 (5)C54—C53—H53B106.5
C24—C32—H32120.0H53A—C53—H53B106.5
C22—C32—H32120.0C53—C54—H54A109.5
C34—C33—C23119.4 (5)C53—C54—H54B109.5
C34—C33—H33120.3H54A—C54—H54B109.5
C23—C33—H33120.3C53—C54—H54C109.5
C35—C34—C33119.4 (5)H54A—C54—H54C109.5
C35—C34—H34120.3H54B—C54—H54C109.5
O2—Cu1—O1—Si112.1 (2)Si3ii—O3—Na1—Cu1158.4 (2)
O1i—Cu1—O1—Si1163.86 (12)Si3ii—O3—Na1—Si1ii80.06 (16)
Cu1i—Cu1—O1—Si1170.9 (3)Cu1—O3—Na1—Si1ii78.32 (9)
Na1—Cu1—O1—Si145.8 (2)Cu1—O3—Na1—Si3ii158.4 (2)
O2—Cu1—O1—Cu1i176.99 (10)Si3ii—O3—Na1—Si2172.47 (15)
O1i—Cu1—O1—Cu1i7.05 (14)Cu1—O3—Na1—Si214.08 (10)
Na1—Cu1—O1—Cu1i143.29 (8)Si2—O2—Na1—O5127.1 (8)
O3—Cu1—O2—Si2153.97 (19)Cu1—O2—Na1—O51168.4 (8)
O1—Cu1—O2—Si220.4 (2)Si2—O2—Na1—O3162.40 (15)
Cu1i—Cu1—O2—Si217.7 (2)Cu1—O2—Na1—O321.08 (9)
Na1—Cu1—O2—Si2129.9 (2)Si2—O2—Na1—O4194.21 (16)
O3—Cu1—O2—Na124.07 (11)Cu1—O2—Na1—O41124.47 (13)
O1—Cu1—O2—Na1150.27 (10)Si2—O2—Na1—O11ii46.23 (14)
Cu1i—Cu1—O2—Na1147.57 (6)Cu1—O2—Na1—O11ii95.09 (10)
O2—Cu1—O3—Si3ii179.6 (2)Si2—O2—Na1—O12ii94.37 (15)
O1i—Cu1—O3—Si3ii3.8 (2)Cu1—O2—Na1—O12ii46.95 (13)
Cu1i—Cu1—O3—Si3ii7.8 (3)Si2—O2—Na1—Cu1141.32 (18)
Na1—Cu1—O3—Si3ii153.8 (3)Si2—O2—Na1—Si1ii72.45 (13)
O2—Cu1—O3—Na125.83 (11)Cu1—O2—Na1—Si1ii68.87 (9)
O1i—Cu1—O3—Na1157.53 (11)Si2—O2—Na1—Si3ii162.29 (12)
Cu1i—Cu1—O3—Na1145.98 (7)Cu1—O2—Na1—Si3ii20.97 (9)
Cu1—O1—Si1—O11149.84 (16)Cu1—O2—Na1—Si2141.32 (18)
Cu1i—O1—Si1—O1141.5 (2)O3—Cu1—Na1—O5141.1 (4)
Cu1—O1—Si1—O1235.0 (2)O2—Cu1—Na1—O51173.5 (4)
Cu1i—O1—Si1—O12156.30 (16)O1—Cu1—Na1—O51127.5 (4)
Cu1—O1—Si1—C1185.9 (2)O1i—Cu1—Na1—O517.2 (4)
Cu1i—O1—Si1—C1182.8 (2)Cu1i—Cu1—Na1—O5160.5 (4)
Cu1—O1—Si1—Na1iii95.06 (17)O2—Cu1—Na1—O3145.39 (15)
Cu1i—O1—Si1—Na1iii96.24 (16)O1—Cu1—Na1—O3168.59 (14)
O1—Si1—C11—C16145.3 (4)O1i—Cu1—Na1—O333.97 (16)
O11—Si1—C11—C1621.4 (5)Cu1i—Cu1—Na1—O3101.67 (13)
O12—Si1—C11—C1693.7 (4)O3—Cu1—Na1—O4193.33 (15)
Na1iii—Si1—C11—C1633.2 (5)O2—Cu1—Na1—O4152.07 (14)
O1—Si1—C11—C1237.2 (4)O1—Cu1—Na1—O4198.08 (15)
O11—Si1—C11—C12161.1 (3)O1i—Cu1—Na1—O41127.29 (15)
O12—Si1—C11—C1283.8 (3)Cu1i—Cu1—Na1—O41165.01 (11)
Na1iii—Si1—C11—C12144.2 (3)O3—Cu1—Na1—O2145.39 (15)
C16—C11—C12—C133.2 (7)O1—Cu1—Na1—O246.01 (15)
Si1—C11—C12—C13174.4 (4)O1i—Cu1—Na1—O2179.36 (14)
C11—C12—C13—C141.8 (8)Cu1i—Cu1—Na1—O2112.94 (12)
C12—C13—C14—C150.7 (10)O3—Cu1—Na1—O11ii129.17 (14)
C13—C14—C15—C161.7 (13)O2—Cu1—Na1—O11ii85.44 (11)
C12—C11—C16—C152.2 (9)O1—Cu1—Na1—O11ii39.42 (14)
Si1—C11—C16—C15175.4 (6)O1i—Cu1—Na1—O11ii95.20 (12)
C14—C15—C16—C110.1 (13)Cu1i—Cu1—Na1—O11ii27.50 (13)
O1—Si1—O11—Si3iii39.4 (2)O3—Cu1—Na1—O12ii73.67 (12)
O12—Si1—O11—Si3iii156.90 (16)O2—Cu1—Na1—O12ii140.93 (12)
C11—Si1—O11—Si3iii85.5 (2)O1—Cu1—Na1—O12ii94.92 (12)
Na1iii—Si1—O11—Si3iii134.0 (2)O1i—Cu1—Na1—O12ii39.71 (13)
O1—Si1—O11—Na1iii94.64 (13)Cu1i—Cu1—Na1—O12ii27.99 (12)
O12—Si1—O11—Na1iii22.87 (13)O3—Cu1—Na1—Si1ii101.54 (12)
C11—Si1—O11—Na1iii140.51 (13)O2—Cu1—Na1—Si1ii113.07 (10)
O1—Si1—O12—Si235.0 (2)O1—Cu1—Na1—Si1ii67.05 (12)
O11—Si1—O12—Si2153.24 (16)O1i—Cu1—Na1—Si1ii67.57 (11)
C11—Si1—O12—Si287.7 (2)Cu1i—Cu1—Na1—Si1ii0.13 (11)
Na1iii—Si1—O12—Si2131.8 (2)O3—Cu1—Na1—Si3ii9.77 (11)
O1—Si1—O12—Na1iii96.86 (12)O2—Cu1—Na1—Si3ii155.16 (11)
O11—Si1—O12—Na1iii21.40 (12)O1—Cu1—Na1—Si3ii158.82 (10)
C11—Si1—O12—Na1iii140.43 (13)O1i—Cu1—Na1—Si3ii24.20 (12)
Cu1—O2—Si2—O2397.6 (2)Cu1i—Cu1—Na1—Si3ii91.90 (9)
Na1—O2—Si2—O2324.19 (18)O3—Cu1—Na1—Si2163.31 (12)
Cu1—O2—Si2—O1222.1 (2)O2—Cu1—Na1—Si217.92 (9)
Na1—O2—Si2—O12143.83 (12)O1—Cu1—Na1—Si228.09 (12)
Cu1—O2—Si2—C21143.08 (19)O1i—Cu1—Na1—Si2162.72 (10)
Na1—O2—Si2—C2195.14 (17)Cu1i—Cu1—Na1—Si295.02 (9)
Cu1—O2—Si2—Na1121.8 (2)O2—Si2—Na1—O51170.0 (3)
Si1—O12—Si2—O210.2 (2)O23—Si2—Na1—O5133.0 (3)
Na1iii—O12—Si2—O2112.39 (13)O12—Si2—Na1—O51132.9 (3)
Si1—O12—Si2—O23133.30 (17)C21—Si2—Na1—O5169.1 (3)
Na1iii—O12—Si2—O2310.67 (16)O2—Si2—Na1—O316.46 (15)
Si1—O12—Si2—C21113.0 (2)O23—Si2—Na1—O3140.62 (12)
Na1iii—O12—Si2—C21124.33 (15)O12—Si2—Na1—O340.70 (17)
Si1—O12—Si2—Na145.2 (2)C21—Si2—Na1—O3117.31 (15)
Na1iii—O12—Si2—Na177.42 (16)O2—Si2—Na1—O4178.75 (17)
O2—Si2—C21—C26120.8 (4)O23—Si2—Na1—O41124.18 (13)
O23—Si2—C21—C262.5 (4)O12—Si2—Na1—O41135.90 (16)
O12—Si2—C21—C26116.9 (4)C21—Si2—Na1—O4122.11 (16)
Na1—Si2—C21—C2678.2 (4)O23—Si2—Na1—O2157.08 (17)
O2—Si2—C21—C2258.9 (4)O12—Si2—Na1—O257.15 (19)
O23—Si2—C21—C22177.9 (4)C21—Si2—Na1—O2100.85 (19)
O12—Si2—C21—C2263.5 (4)O2—Si2—Na1—O11ii130.78 (15)
Na1—Si2—C21—C22101.5 (4)O23—Si2—Na1—O11ii26.30 (10)
C26—C21—C22—C322.2 (8)O12—Si2—Na1—O11ii73.63 (14)
Si2—C21—C22—C32178.1 (5)C21—Si2—Na1—O11ii128.37 (14)
C32—C24—C25—C260.1 (11)O2—Si2—Na1—O12ii100.05 (16)
C22—C21—C26—C253.9 (8)O23—Si2—Na1—O12ii57.03 (11)
Si2—C21—C26—C25176.4 (5)O12—Si2—Na1—O12ii42.90 (17)
C24—C25—C26—C213.0 (10)C21—Si2—Na1—O12ii159.10 (14)
O2—Si2—O23—Si356.8 (3)O2—Si2—Na1—Cu126.27 (13)
O12—Si2—O23—Si365.0 (3)O23—Si2—Na1—Cu1130.81 (10)
C21—Si2—O23—Si3179.7 (2)O12—Si2—Na1—Cu130.88 (14)
Na1—Si2—O23—Si372.5 (2)C21—Si2—Na1—Cu1127.12 (13)
Si2—O23—Si3—O3iii44.1 (3)O2—Si2—Na1—Si1ii110.14 (14)
Si2—O23—Si3—O11ii77.2 (3)O23—Si2—Na1—Si1ii46.94 (9)
Si2—O23—Si3—C31167.8 (2)O12—Si2—Na1—Si1ii52.99 (14)
Si2—O23—Si3—Na1iii63.9 (2)C21—Si2—Na1—Si1ii149.01 (13)
C33—C23—C31—C361.6 (8)O2—Si2—Na1—Si3ii19.73 (13)
C33—C23—C31—Si3179.8 (4)O23—Si2—Na1—Si3ii137.35 (11)
O3iii—Si3—C31—C369.1 (4)O12—Si2—Na1—Si3ii37.42 (16)
O23—Si3—C31—C36114.3 (4)C21—Si2—Na1—Si3ii120.58 (13)
O11ii—Si3—C31—C36132.9 (4)O51—Na1—O41—C4154.6 (9)
Na1iii—Si3—C31—C3626.9 (4)O3—Na1—O41—C41179.0 (8)
O3iii—Si3—C31—C23172.5 (3)O2—Na1—O41—C41112.9 (9)
O23—Si3—C31—C2364.2 (4)O11ii—Na1—O41—C4144.0 (10)
O11ii—Si3—C31—C2348.6 (4)O12ii—Na1—O41—C4196.5 (10)
Na1iii—Si3—C31—C23151.6 (3)Cu1—Na1—O41—C41142.6 (9)
C25—C24—C32—C221.5 (10)Si1ii—Na1—O41—C4150.5 (11)
C21—C22—C32—C240.5 (10)Si3ii—Na1—O41—C41158.8 (9)
C31—C23—C33—C343.4 (9)Si2—Na1—O41—C4187.5 (9)
C23—C33—C34—C352.1 (9)Na1—O41—C41—C4281.8 (12)
C33—C34—C35—C360.8 (10)O41—C41—C42—C4366.4 (14)
C23—C31—C36—C351.3 (8)C41—C42—C43—C44177.9 (11)
Si3—C31—C36—C35177.2 (5)O3—Na1—O51—C5155.3 (10)
C34—C35—C36—C312.6 (10)O41—Na1—O51—C5150.1 (10)
Si3ii—O3—Na1—O512.9 (3)O2—Na1—O51—C51113.9 (11)
Cu1—O3—Na1—O51161.3 (2)O11ii—Na1—O51—C51172.5 (9)
Si3ii—O3—Na1—O41111.49 (18)O12ii—Na1—O51—C51119.0 (10)
Cu1—O3—Na1—O4190.12 (13)Cu1—Na1—O51—C5183.3 (11)
Si3ii—O3—Na1—O2179.71 (18)Si1ii—Na1—O51—C51144.4 (10)
Cu1—O3—Na1—O221.33 (9)Si3ii—Na1—O51—C5156.5 (10)
Si3ii—O3—Na1—O11ii100.35 (17)Si2—Na1—O51—C51132.4 (9)
Cu1—O3—Na1—O11ii58.03 (13)Na1—O51—C51—C52174.4 (8)
Si3ii—O3—Na1—O12ii53.29 (16)O51—C51—C52—C5375 (2)
Cu1—O3—Na1—O12ii105.10 (10)C51—C52—C53—C54177.1 (14)
Symmetry codes: (i) x+1, y+1/2, z; (ii) y+3/4, x1/4, z+3/4; (iii) y+1/4, x+3/4, z+3/4.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O41—H41···O20.842.102.848 (4)148
O51—H51···O12ii0.842.082.857 (5)154
Symmetry code: (ii) y+3/4, x1/4, z+3/4.
 

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