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The structure of the title compound, [K(C12H24O6)](C8H24B2P), is composed of di-tert-butyl­phosphanylbisborohydride anions and K cations which are coordinated by a crown ether mol­ecule.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806050021/ng2162sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806050021/ng2162Isup2.hkl
Contains datablock I

CCDC reference: 630195

Key indicators

  • Single-crystal X-ray study
  • T = 173 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.027
  • wR factor = 0.049
  • Data-to-parameter ratio = 18.6

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.96 PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for B1
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 3 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 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 0 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: X-AREA (Stoe & Cie, 2001); cell refinement: X-AREA; data reduction: X-AREA; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: XP in SHELXTL-Plus (Sheldrick, 1991); software used to prepare material for publication: SHELXL97.

(18-Crown-6)potassium di-tert-butylphospanylbisborohydride top
Crystal data top
[K(C12H24O6)](C8H24B2P)F(000) = 1040
Mr = 476.27Dx = 1.137 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 9632 reflections
a = 9.5690 (13) Åθ = 3.6–25.8°
b = 15.8008 (15) ŵ = 0.28 mm1
c = 18.850 (2) ÅT = 173 K
β = 102.585 (11)°Block, colourless
V = 2781.6 (6) Å30.48 × 0.43 × 0.37 mm
Z = 4
Data collection top
Stow IPDS-II two-circle
diffractometer
5075 independent reflections
Radiation source: fine-focus sealed tube3446 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.031
ω scansθmax = 25.8°, θmin = 3.8°
Absorption correction: multi-scan
(MULABS; Spek, 2003; Blessing, 1995)
h = 1110
Tmin = 0.878, Tmax = 0.904k = 1919
12395 measured reflectionsl = 1722
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)] = 0.028Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.049H-atom parameters constrained
S = 1.02 w = 1/[σ2(Fo2) + (0.01P)2]
where P = (Fo2 + 2Fc2)/3
5075 reflections(Δ/σ)max = 0.001
273 parametersΔρmax = 0.19 e Å3
0 restraintsΔρmin = 0.16 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
K10.21591 (4)0.459423 (19)0.70243 (2)0.02810 (9)
O10.07433 (13)0.43704 (6)0.71942 (7)0.0408 (3)
C20.1763 (2)0.44810 (12)0.65252 (11)0.0501 (5)
H2A0.27450.44600.66130.060*
H2B0.16620.40200.61840.060*
C30.1509 (2)0.53155 (12)0.62058 (11)0.0481 (5)
H3A0.22690.54300.57680.058*
H3B0.15240.57730.65630.058*
O40.01617 (13)0.52858 (6)0.60185 (7)0.0375 (3)
C50.0127 (2)0.60426 (10)0.56653 (11)0.0482 (5)
H5A0.00550.65380.59770.058*
H5B0.05840.61120.52010.058*
C60.1582 (2)0.59915 (10)0.55244 (10)0.0447 (5)
H6A0.16930.54580.52670.054*
H6B0.17450.64710.52140.054*
O70.25982 (13)0.60203 (6)0.62028 (6)0.0340 (3)
C80.4028 (2)0.60226 (10)0.61101 (10)0.0404 (5)
H8A0.41930.65230.58230.049*
H8B0.42130.55070.58470.049*
C90.50084 (19)0.60484 (9)0.68440 (10)0.0375 (4)
H9A0.60080.61400.67970.045*
H9B0.47350.65170.71350.045*
O100.48848 (12)0.52601 (6)0.71857 (6)0.0340 (3)
C110.5904 (2)0.51424 (10)0.78490 (10)0.0362 (4)
H11A0.57480.55620.82140.043*
H11B0.68860.52150.77710.043*
C120.5709 (2)0.42663 (10)0.81086 (10)0.0385 (4)
H12A0.57900.38510.77260.046*
H12B0.64620.41390.85460.046*
O130.43407 (13)0.42064 (6)0.82765 (6)0.0350 (3)
C140.4076 (2)0.33694 (9)0.85039 (10)0.0417 (5)
H14A0.48350.32020.89270.050*
H14B0.40820.29630.81050.050*
C150.2674 (2)0.33578 (10)0.87023 (10)0.0452 (5)
H15A0.25250.28040.89200.054*
H15B0.26370.38050.90660.054*
O160.15780 (13)0.34979 (7)0.80671 (7)0.0393 (3)
C170.0204 (2)0.35096 (10)0.82225 (12)0.0449 (5)
H17A0.01130.40010.85350.054*
H17B0.00480.29870.84840.054*
C180.0876 (2)0.35695 (10)0.75255 (12)0.0495 (5)
H18A0.07240.31080.71960.059*
H18B0.18510.35090.76180.059*
P10.36027 (5)0.22344 (2)0.56502 (2)0.02450 (9)
B10.3564 (3)0.33193 (11)0.61270 (13)0.0434 (6)
H1A0.27000.36300.58930.065*
H1B0.44130.36470.60890.065*
H1C0.35580.32290.66410.065*
B20.3139 (2)0.22855 (12)0.45964 (10)0.0330 (4)
H2C0.34170.17530.43990.050*
H2D0.36590.27560.44340.050*
H2E0.21070.23730.44250.050*
C200.2276 (2)0.15140 (10)0.59414 (10)0.0384 (4)
C210.0889 (2)0.20256 (13)0.58557 (13)0.0565 (6)
H21A0.05790.22130.53500.085*
H21B0.10580.25200.61770.085*
H21C0.01430.16710.59850.085*
C220.2731 (2)0.12358 (13)0.67385 (11)0.0561 (6)
H22A0.29390.17370.70500.084*
H22B0.35910.08820.68010.084*
H22C0.19560.09110.68730.084*
C230.1944 (2)0.07373 (10)0.54419 (12)0.0549 (6)
H23A0.16570.09240.49350.082*
H23B0.11640.04120.55710.082*
H23C0.28000.03810.55010.082*
C300.54635 (18)0.18079 (9)0.59595 (9)0.0306 (4)
C310.5596 (2)0.08738 (9)0.57657 (11)0.0469 (5)
H31A0.52110.07920.52440.070*
H31B0.50540.05260.60420.070*
H31C0.66060.07060.58870.070*
C320.6386 (2)0.23176 (11)0.55419 (11)0.0447 (5)
H32A0.60190.22430.50180.067*
H32B0.73780.21180.56750.067*
H32C0.63510.29190.56660.067*
C330.6068 (2)0.19390 (10)0.67754 (10)0.0427 (5)
H33A0.59860.25370.68970.064*
H33B0.70770.17700.68960.064*
H33C0.55260.15930.70540.064*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
K10.0265 (2)0.02755 (15)0.03042 (19)0.00041 (15)0.00663 (16)0.00102 (15)
O10.0297 (7)0.0402 (6)0.0525 (9)0.0066 (5)0.0092 (7)0.0066 (5)
C20.0249 (10)0.0661 (12)0.0598 (14)0.0071 (9)0.0105 (10)0.0193 (10)
C30.0306 (11)0.0593 (11)0.0495 (12)0.0115 (9)0.0020 (10)0.0119 (10)
O40.0295 (7)0.0352 (6)0.0446 (7)0.0053 (5)0.0012 (6)0.0009 (5)
C50.0486 (14)0.0366 (9)0.0480 (12)0.0037 (8)0.0143 (11)0.0059 (8)
C60.0577 (15)0.0391 (9)0.0306 (10)0.0090 (8)0.0051 (10)0.0086 (8)
O70.0361 (8)0.0346 (5)0.0291 (7)0.0030 (5)0.0026 (6)0.0037 (5)
C80.0446 (13)0.0389 (9)0.0415 (11)0.0039 (8)0.0173 (10)0.0079 (8)
C90.0323 (11)0.0348 (8)0.0477 (11)0.0068 (7)0.0140 (9)0.0011 (8)
O100.0311 (7)0.0316 (5)0.0364 (7)0.0051 (5)0.0014 (6)0.0028 (5)
C110.0234 (10)0.0458 (9)0.0374 (10)0.0030 (7)0.0024 (8)0.0089 (8)
C120.0296 (11)0.0466 (9)0.0353 (11)0.0099 (7)0.0018 (9)0.0010 (7)
O130.0367 (7)0.0323 (5)0.0357 (7)0.0045 (5)0.0073 (6)0.0048 (5)
C140.0498 (13)0.0336 (8)0.0367 (11)0.0045 (8)0.0015 (10)0.0076 (7)
C150.0640 (15)0.0364 (8)0.0347 (11)0.0053 (9)0.0095 (11)0.0089 (8)
O160.0409 (8)0.0424 (6)0.0391 (8)0.0005 (5)0.0183 (6)0.0071 (5)
C170.0508 (13)0.0345 (9)0.0591 (14)0.0031 (8)0.0334 (11)0.0020 (8)
C180.0355 (12)0.0381 (9)0.0826 (17)0.0095 (8)0.0296 (12)0.0089 (9)
P10.0243 (2)0.02426 (17)0.0248 (2)0.00058 (17)0.00502 (18)0.00032 (17)
B10.0523 (15)0.0358 (10)0.0382 (13)0.0136 (9)0.0014 (11)0.0078 (9)
B20.0321 (11)0.0401 (9)0.0265 (10)0.0020 (9)0.0056 (9)0.0007 (8)
C200.0324 (11)0.0456 (9)0.0380 (11)0.0038 (8)0.0096 (9)0.0117 (8)
C210.0316 (12)0.0801 (14)0.0616 (15)0.0022 (10)0.0181 (11)0.0203 (11)
C220.0453 (13)0.0757 (13)0.0495 (13)0.0046 (10)0.0151 (11)0.0272 (11)
C230.0486 (13)0.0441 (10)0.0678 (15)0.0224 (9)0.0036 (11)0.0097 (10)
C300.0293 (10)0.0280 (7)0.0324 (10)0.0010 (7)0.0022 (8)0.0015 (7)
C310.0435 (13)0.0352 (9)0.0577 (13)0.0111 (8)0.0016 (10)0.0060 (8)
C320.0263 (11)0.0534 (10)0.0545 (13)0.0025 (8)0.0091 (9)0.0065 (9)
C330.0348 (12)0.0475 (9)0.0390 (11)0.0041 (8)0.0065 (9)0.0002 (8)
Geometric parameters (Å, º) top
K1—O162.7659 (12)C15—H15B0.9900
K1—O102.7671 (12)O16—C171.408 (2)
K1—O42.8082 (12)C17—C181.488 (3)
K1—O72.8170 (11)C17—H17A0.9900
K1—O132.8562 (12)C17—H17B0.9900
K1—O12.8860 (14)C18—H18A0.9900
K1—C22i3.4744 (19)C18—H18B0.9900
K1—C63.5345 (18)P1—C201.8742 (18)
O1—C21.427 (2)P1—C301.8741 (17)
O1—C181.429 (2)P1—B11.9397 (18)
C2—C31.491 (3)P1—B21.940 (2)
C2—H2A0.9900B1—H1A0.9800
C2—H2B0.9900B1—H1B0.9800
C3—O41.410 (2)B1—H1C0.9800
C3—H3A0.9900B2—H2C0.9800
C3—H3B0.9900B2—H2D0.9800
O4—C51.425 (2)B2—H2E0.9800
C5—C61.476 (3)C20—C231.537 (3)
C5—H5A0.9900C20—C211.532 (3)
C5—H5B0.9900C20—C221.535 (3)
C6—O71.429 (2)C21—H21A0.9800
C6—H6A0.9900C21—H21B0.9800
C6—H6B0.9900C21—H21C0.9800
O7—C81.417 (2)C22—K1ii3.4744 (19)
C8—C91.493 (3)C22—H22A0.9800
C8—H8A0.9900C22—H22B0.9800
C8—H8B0.9900C22—H22C0.9800
C9—O101.4190 (18)C23—H23A0.9800
C9—H9A0.9900C23—H23B0.9800
C9—H9B0.9900C23—H23C0.9800
O10—C111.420 (2)C30—C311.532 (2)
C11—C121.493 (2)C30—C321.533 (3)
C11—H11A0.9900C30—C331.535 (2)
C11—H11B0.9900C31—H31A0.9800
C12—O131.416 (2)C31—H31B0.9800
C12—H12A0.9900C31—H31C0.9800
C12—H12B0.9900C32—H32A0.9800
O13—C141.4297 (18)C32—H32B0.9800
C14—C151.470 (3)C32—H32C0.9800
C14—H14A0.9900C33—H33A0.9800
C14—H14B0.9900C33—H33B0.9800
C15—O161.427 (2)C33—H33C0.9800
C15—H15A0.9900
O16—K1—O10119.38 (4)O13—C14—H14A110.0
O16—K1—O4118.14 (4)C15—C14—H14A110.0
O10—K1—O4120.94 (4)O13—C14—H14B110.0
O16—K1—O7165.65 (4)C15—C14—H14B110.0
O10—K1—O760.42 (3)H14A—C14—H14B108.4
O4—K1—O760.55 (4)O16—C15—C14109.24 (16)
O16—K1—O1360.15 (4)O16—C15—H15A109.8
O10—K1—O1359.27 (3)C14—C15—H15A109.8
O4—K1—O13165.82 (4)O16—C15—H15B109.8
O7—K1—O13117.14 (3)C14—C15—H15B109.8
O16—K1—O159.80 (4)H15A—C15—H15B108.3
O10—K1—O1160.26 (3)C17—O16—C15112.11 (16)
O4—K1—O158.93 (4)C17—O16—K1118.76 (10)
O7—K1—O1114.92 (4)C15—O16—K1117.95 (10)
O13—K1—O1115.45 (4)O16—C17—C18108.54 (17)
O16—K1—C22i88.39 (5)O16—C17—H17A110.0
O10—K1—C22i75.67 (5)C18—C17—H17A110.0
O4—K1—C22i93.81 (4)O16—C17—H17B110.0
O7—K1—C22i77.62 (5)C18—C17—H17B110.0
O13—K1—C22i72.29 (4)H17A—C17—H17B108.4
O1—K1—C22i84.60 (5)O1—C18—C17109.35 (14)
O16—K1—C6159.90 (5)O1—C18—H18A109.8
O10—K1—C680.20 (4)C17—C18—H18A109.8
O4—K1—C641.76 (4)O1—C18—H18B109.8
O7—K1—C622.58 (4)C17—C18—H18B109.8
O13—K1—C6138.92 (4)H18A—C18—H18B108.3
O1—K1—C6100.30 (5)C20—P1—C30110.41 (7)
C22i—K1—C692.71 (5)C20—P1—B1108.57 (10)
C2—O1—C18112.70 (14)C30—P1—B1106.65 (9)
C2—O1—K1112.08 (11)C20—P1—B2107.86 (9)
C18—O1—K1109.66 (10)C30—P1—B2108.86 (9)
O1—C2—C3108.98 (14)B1—P1—B2114.48 (9)
O1—C2—H2A109.9P1—B1—H1A109.5
C3—C2—H2A109.9P1—B1—H1B109.5
O1—C2—H2B109.9H1A—B1—H1B109.5
C3—C2—H2B109.9P1—B1—H1C109.5
H2A—C2—H2B108.3H1A—B1—H1C109.5
O4—C3—C2108.05 (14)H1B—B1—H1C109.5
O4—C3—H3A110.1P1—B2—H2C109.5
C2—C3—H3A110.1P1—B2—H2D109.5
O4—C3—H3B110.1H2C—B2—H2D109.5
C2—C3—H3B110.1P1—B2—H2E109.5
H3A—C3—H3B108.4H2C—B2—H2E109.5
C3—O4—C5111.71 (14)H2D—B2—H2E109.5
C3—O4—K1118.41 (11)C23—C20—C21107.34 (16)
C5—O4—K1115.91 (10)C23—C20—C22110.34 (15)
O4—C5—C6108.95 (14)C21—C20—C22108.01 (18)
O4—C5—H5A109.9C23—C20—P1111.60 (14)
C6—C5—H5A109.9C21—C20—P1105.97 (12)
O4—C5—H5B109.9C22—C20—P1113.24 (13)
C6—C5—H5B109.9C20—C21—H21A109.5
H5A—C5—H5B108.3C20—C21—H21B109.5
O7—C6—C5108.80 (17)H21A—C21—H21B109.5
O7—C6—K149.21 (7)C20—C21—H21C109.5
C5—C6—K183.07 (11)H21A—C21—H21C109.5
O7—C6—H6A109.9H21B—C21—H21C109.5
C5—C6—H6A109.9C20—C22—K1ii146.26 (13)
K1—C6—H6A81.1C20—C22—H22A109.5
O7—C6—H6B109.9K1ii—C22—H22A103.1
C5—C6—H6B109.9C20—C22—H22B109.5
K1—C6—H6B159.0K1ii—C22—H22B65.9
H6A—C6—H6B108.3H22A—C22—H22B109.5
C8—O7—C6112.15 (15)C20—C22—H22C109.5
C8—O7—K1109.49 (9)K1ii—C22—H22C49.4
C6—O7—K1108.21 (9)H22A—C22—H22C109.5
O7—C8—C9108.32 (16)H22B—C22—H22C109.5
O7—C8—H8A110.0C20—C23—H23A109.5
C9—C8—H8A110.0C20—C23—H23B109.5
O7—C8—H8B110.0H23A—C23—H23B109.5
C9—C8—H8B110.0C20—C23—H23C109.5
H8A—C8—H8B108.4H23A—C23—H23C109.5
O10—C9—C8107.39 (13)H23B—C23—H23C109.5
O10—C9—H9A110.2C31—C30—C32107.27 (16)
C8—C9—H9A110.2C31—C30—C33109.65 (14)
O10—C9—H9B110.2C32—C30—C33108.07 (15)
C8—C9—H9B110.2C31—C30—P1113.22 (11)
H9A—C9—H9B108.5C32—C30—P1105.42 (11)
C11—O10—C9113.92 (12)C33—C30—P1112.84 (13)
C11—O10—K1119.78 (10)C30—C31—H31A109.5
C9—O10—K1116.98 (9)C30—C31—H31B109.5
O10—C11—C12107.42 (13)H31A—C31—H31B109.5
O10—C11—H11A110.2C30—C31—H31C109.5
C12—C11—H11A110.2H31A—C31—H31C109.5
O10—C11—H11B110.2H31B—C31—H31C109.5
C12—C11—H11B110.2C30—C32—H32A109.5
H11A—C11—H11B108.5C30—C32—H32B109.5
O13—C12—C11108.80 (13)H32A—C32—H32B109.5
O13—C12—H12A109.9C30—C32—H32C109.5
C11—C12—H12A109.9H32A—C32—H32C109.5
O13—C12—H12B109.9H32B—C32—H32C109.5
C11—C12—H12B109.9C30—C33—H33A109.5
H12A—C12—H12B108.3C30—C33—H33B109.5
C12—O13—C14111.19 (13)H33A—C33—H33B109.5
C12—O13—K1110.24 (10)C30—C33—H33C109.5
C14—O13—K1107.52 (9)H33A—C33—H33C109.5
O13—C14—C15108.59 (14)H33B—C33—H33C109.5
O16—K1—O1—C2149.39 (11)O1—K1—O10—C1172.38 (15)
O10—K1—O1—C2117.22 (13)C22i—K1—O10—C1170.21 (11)
O4—K1—O1—C221.59 (10)C6—K1—O10—C11165.58 (11)
O7—K1—O1—C245.68 (11)O16—K1—O10—C9154.23 (10)
O13—K1—O1—C2173.21 (10)O4—K1—O10—C911.36 (12)
C22i—K1—O1—C2119.33 (11)O7—K1—O10—C99.27 (10)
C6—K1—O1—C227.55 (10)O13—K1—O10—C9152.11 (12)
O16—K1—O1—C1823.44 (11)O1—K1—O10—C972.27 (16)
O10—K1—O1—C18116.82 (13)C22i—K1—O10—C974.44 (11)
O4—K1—O1—C18147.54 (12)C6—K1—O10—C920.93 (11)
O7—K1—O1—C18171.63 (11)C9—O10—C11—C12175.69 (15)
O13—K1—O1—C1847.26 (12)K1—O10—C11—C1238.65 (17)
C22i—K1—O1—C18114.71 (12)O10—C11—C12—O1364.99 (18)
C6—K1—O1—C18153.51 (11)C11—C12—O13—C14177.92 (14)
C18—O1—C2—C3177.84 (16)C11—C12—O13—K158.77 (14)
K1—O1—C2—C353.56 (17)O16—K1—O13—C12151.03 (10)
O1—C2—C3—O465.71 (19)O10—K1—O13—C1226.84 (9)
C2—C3—O4—C5176.24 (14)O4—K1—O13—C12121.94 (16)
C2—C3—O4—K145.15 (17)O7—K1—O13—C1245.02 (10)
O16—K1—O4—C322.22 (12)O1—K1—O13—C12174.76 (8)
O10—K1—O4—C3143.54 (10)C22i—K1—O13—C12110.39 (10)
O7—K1—O4—C3141.46 (12)C6—K1—O13—C1237.31 (11)
O13—K1—O4—C357.0 (2)O16—K1—O13—C1429.67 (11)
O1—K1—O4—C313.39 (10)O10—K1—O13—C14148.20 (12)
C22i—K1—O4—C367.98 (11)O4—K1—O13—C14116.71 (16)
C6—K1—O4—C3157.78 (13)O7—K1—O13—C14166.38 (11)
O16—K1—O4—C5159.15 (12)O1—K1—O13—C1453.40 (11)
O10—K1—O4—C56.62 (13)C22i—K1—O13—C14128.26 (12)
O7—K1—O4—C54.53 (12)C6—K1—O13—C14158.66 (11)
O13—K1—O4—C580.0 (2)C12—O13—C14—C15177.39 (15)
O1—K1—O4—C5150.31 (13)K1—O13—C14—C1561.85 (15)
C22i—K1—O4—C568.94 (13)O13—C14—C15—O1666.66 (18)
C6—K1—O4—C520.86 (12)C14—C15—O16—C17178.93 (13)
C3—O4—C5—C6176.63 (15)C14—C15—O16—K135.46 (16)
K1—O4—C5—C636.91 (18)O10—K1—O16—C17146.44 (11)
O4—C5—C6—O768.18 (17)O4—K1—O16—C1719.55 (13)
O4—C5—C6—K125.62 (13)O7—K1—O16—C1761.3 (2)
O16—K1—C6—O7140.41 (11)O13—K1—O16—C17144.34 (13)
O10—K1—C6—O727.24 (11)O1—K1—O16—C1710.79 (11)
O4—K1—C6—O7140.40 (14)C22i—K1—O16—C1773.90 (12)
O13—K1—C6—O718.12 (15)C6—K1—O16—C1719.56 (19)
O1—K1—C6—O7132.72 (11)O10—K1—O16—C155.43 (13)
C22i—K1—C6—O747.71 (12)O4—K1—O16—C15160.57 (11)
O16—K1—C6—C518.16 (19)O7—K1—O16—C1579.7 (2)
O10—K1—C6—C5149.49 (11)O13—K1—O16—C153.33 (11)
O4—K1—C6—C518.15 (9)O1—K1—O16—C15151.81 (13)
O7—K1—C6—C5122.25 (17)C22i—K1—O16—C1567.11 (12)
O13—K1—C6—C5140.38 (9)C6—K1—O16—C15160.58 (13)
O1—K1—C6—C510.47 (11)C15—O16—C17—C18174.26 (13)
C22i—K1—C6—C574.54 (11)K1—O16—C17—C1842.60 (16)
C5—C6—O7—C8176.65 (12)C2—O1—C18—C17179.13 (15)
K1—C6—O7—C8120.87 (12)K1—O1—C18—C1755.26 (17)
C5—C6—O7—K162.48 (14)O16—C17—C18—O166.22 (18)
O16—K1—O7—C8119.55 (17)C30—P1—C20—C2378.78 (14)
O10—K1—O7—C826.25 (10)B1—P1—C20—C23164.63 (13)
O4—K1—O7—C8151.69 (11)B2—P1—C20—C2340.06 (15)
O13—K1—O7—C844.21 (11)C30—P1—C20—C21164.68 (13)
O1—K1—O7—C8175.37 (10)B1—P1—C20—C2148.10 (15)
C22i—K1—O7—C8106.65 (11)B2—P1—C20—C2176.48 (15)
C6—K1—O7—C8122.51 (16)C30—P1—C20—C2246.46 (17)
O16—K1—O7—C6117.94 (18)B1—P1—C20—C2270.13 (16)
O10—K1—O7—C6148.76 (12)B2—P1—C20—C22165.30 (15)
O4—K1—O7—C629.18 (11)C23—C20—C22—K1ii15.4 (3)
O13—K1—O7—C6166.72 (11)C21—C20—C22—K1ii101.6 (3)
O1—K1—O7—C652.85 (12)P1—C20—C22—K1ii141.35 (18)
C22i—K1—O7—C6130.84 (12)C20—P1—C30—C3149.75 (16)
C6—O7—C8—C9179.69 (12)B1—P1—C30—C31167.53 (15)
K1—O7—C8—C959.56 (13)B2—P1—C30—C3168.47 (15)
O7—C8—C9—O1068.61 (17)C20—P1—C30—C32166.72 (11)
C8—C9—O10—C11171.58 (15)B1—P1—C30—C3275.51 (14)
C8—C9—O10—K141.74 (17)B2—P1—C30—C3248.50 (13)
O16—K1—O10—C119.58 (11)C20—P1—C30—C3375.55 (13)
O4—K1—O10—C11156.01 (10)B1—P1—C30—C3342.22 (14)
O7—K1—O10—C11153.92 (11)B2—P1—C30—C33166.23 (12)
O13—K1—O10—C117.46 (10)
Symmetry codes: (i) x+1/2, y+1/2, z+3/2; (ii) x+1/2, y1/2, z+3/2.
 

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