In the tetraborate anion of the title compound, K
2[B
4O
5(OH)
4]·H
2O, the bridging B—O bond lengths of the tetrahedral BO
4 and the trigonal-planar BO
3 units are slightly longer than the corresponding terminal B—OH bond lengths. The crystal structure is stabilized by intermolecular O—H

O, O—H

O
water and O
water—H

O hydrogen bonds, generating a three-dimensional network. The two potassium cations both show a coordination number of 9.
Supporting information
CCDC reference: 1893090
Key indicators
- Single-crystal X-ray study
- T = 296 K
- Mean
(O-B) = 0.003 Å
- R factor = 0.029
- wR factor = 0.073
- Data-to-parameter ratio = 10.5
checkCIF/PLATON results
No syntax errors found
Alert level C
PLAT911_ALERT_3_C Missing FCF Refl Between Thmin & STh/L= 0.600 7 Report
Alert level G
PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 11 Note
PLAT172_ALERT_4_G The CIF-Embedded .res File Contains DFIX Records 4 Report
PLAT860_ALERT_3_G Number of Least-Squares Restraints ............. 8 Note
PLAT899_ALERT_4_G SHELXL97 is Deprecated and Succeeded by SHELXL 2018 Note
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 11 Note
PLAT913_ALERT_3_G Missing # of Very Strong Reflections in FCF .... 3 Note
0 ALERT level A = Most likely a serious problem - resolve or explain
0 ALERT level B = A potentially serious problem, consider carefully
1 ALERT level C = Check. Ensure it is not caused by an omission or oversight
6 ALERT level G = General information/check it is not something unexpected
0 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
3 ALERT type 3 Indicator that the structure quality may be low
3 ALERT type 4 Improvement, methodology, query or suggestion
0 ALERT type 5 Informative message, check
Data collection: APEX3 (Bruker, 2014); cell refinement: SAINT (Bruker, 2014); data reduction: SAINT (Bruker, 2014); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2014/7 (Sheldrick, 2015); molecular graphics: ORTEP-3 for Windows (Farrugia, 2012) and PLATON (Spek, 2009); software used to prepare material for publication: publCIF (Westrip, 2010).
Dipotassium tetrahydroxidopentaoxidotetraborate monohydrate
top
Crystal data top
K2(B4O5(OH)4)·H2O | Z = 2 |
Mr = 287.49 | F(000) = 288 |
Triclinic, P1 | Dx = 2.100 Mg m−3 |
a = 7.1850 (6) Å | Cu Kα radiation, λ = 1.54178 Å |
b = 7.8479 (7) Å | Cell parameters from 9535 reflections |
c = 8.9932 (8) Å | θ = 5.3–72.9° |
α = 68.572 (1)° | µ = 9.68 mm−1 |
β = 88.393 (2)° | T = 296 K |
γ = 74.975 (1)° | Block, colourless |
V = 454.66 (7) Å3 | 0.15 × 0.15 × 0.10 mm |
Data collection top
Bruker APEX3 CMOS diffractometer | 1685 reflections with I > 2σ(I) |
Radiation source: micro-focus sealed tube | Rint = 0.048 |
ω and φ scan | θmax = 72.5°, θmin = 5.3° |
Absorption correction: multi-scan (SADABS; Bruker, 2014) | h = −8→8 |
Tmin = 0.428, Tmax = 0.755 | k = −9→9 |
12205 measured reflections | l = −11→11 |
1782 independent reflections | |
Refinement top
Refinement on F2 | 8 restraints |
Least-squares matrix: full | Hydrogen site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.029 | All H-atom parameters refined |
wR(F2) = 0.073 | w = 1/[σ2(Fo2) + (0.0364P)2 + 0.3324P] where P = (Fo2 + 2Fc2)/3 |
S = 1.08 | (Δ/σ)max < 0.001 |
1782 reflections | Δρmax = 0.26 e Å−3 |
169 parameters | Δρmin = −0.41 e Å−3 |
Special details top
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. The O-bound hydrogen atoms were located in a difference Fourier map
and were refined with distance restraints of O—H = 0.85 (2) Å. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
K1 | −0.09251 (7) | 0.38216 (6) | 0.80053 (5) | 0.02243 (14) | |
K2 | 0.20676 (6) | 1.09022 (6) | 0.19990 (5) | 0.02022 (13) | |
O1 | 0.30645 (19) | 0.80307 (18) | 0.52405 (15) | 0.0163 (3) | |
O2 | 0.0185 (2) | 0.7652 (2) | 0.44414 (18) | 0.0278 (4) | |
O3 | 0.11229 (19) | 0.64763 (19) | 0.72235 (16) | 0.0170 (3) | |
O4 | 0.2514 (2) | 0.44850 (18) | 0.98578 (16) | 0.0165 (3) | |
O5 | 0.20264 (19) | 0.78980 (17) | 0.89638 (15) | 0.0147 (3) | |
O6 | 0.45190 (18) | 0.59912 (16) | 0.78995 (15) | 0.0118 (3) | |
O7 | 0.2574 (2) | 1.07780 (19) | 0.88399 (17) | 0.0193 (3) | |
O8 | 0.40972 (19) | 0.93391 (17) | 0.70523 (15) | 0.0148 (3) | |
O9 | 0.64504 (19) | 0.74772 (18) | 0.58708 (16) | 0.0167 (3) | |
O10 | 0.5427 (3) | 0.2666 (2) | 0.75091 (19) | 0.0276 (4) | |
B1 | 0.1486 (3) | 0.7371 (3) | 0.5679 (3) | 0.0154 (4) | |
B2 | 0.2586 (3) | 0.6167 (3) | 0.8510 (2) | 0.0125 (4) | |
B3 | 0.2906 (3) | 0.9315 (3) | 0.8275 (2) | 0.0127 (4) | |
B4 | 0.4565 (3) | 0.7673 (3) | 0.6519 (2) | 0.0111 (4) | |
H9 | 0.620 (3) | 0.843 (3) | 0.504 (2) | 0.030 (7)* | |
H4 | 0.351 (3) | 0.420 (4) | 1.043 (3) | 0.036 (8)* | |
H2 | −0.076 (3) | 0.735 (4) | 0.482 (4) | 0.049 (9)* | |
H10A | 0.508 (5) | 0.375 (3) | 0.759 (3) | 0.051 (9)* | |
H10B | 0.547 (5) | 0.285 (4) | 0.652 (2) | 0.049 (9)* | |
H7 | 0.329 (4) | 1.148 (4) | 0.842 (4) | 0.050 (9)* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
K1 | 0.0295 (3) | 0.0193 (2) | 0.0218 (2) | −0.00895 (17) | 0.00811 (18) | −0.01020 (17) |
K2 | 0.0186 (2) | 0.0179 (2) | 0.0239 (2) | −0.00297 (16) | 0.00074 (17) | −0.00873 (16) |
O1 | 0.0168 (7) | 0.0199 (6) | 0.0121 (6) | −0.0072 (5) | 0.0003 (5) | −0.0041 (5) |
O2 | 0.0174 (8) | 0.0495 (10) | 0.0191 (8) | −0.0102 (7) | −0.0008 (6) | −0.0146 (7) |
O3 | 0.0147 (6) | 0.0228 (7) | 0.0161 (6) | −0.0085 (5) | 0.0008 (5) | −0.0077 (5) |
O4 | 0.0201 (7) | 0.0119 (6) | 0.0162 (7) | −0.0069 (5) | 0.0018 (6) | −0.0022 (5) |
O5 | 0.0163 (6) | 0.0130 (6) | 0.0173 (6) | −0.0057 (5) | 0.0063 (5) | −0.0078 (5) |
O6 | 0.0130 (6) | 0.0082 (5) | 0.0137 (6) | −0.0025 (5) | 0.0019 (5) | −0.0039 (5) |
O7 | 0.0246 (7) | 0.0152 (7) | 0.0239 (7) | −0.0077 (6) | 0.0081 (6) | −0.0125 (6) |
O8 | 0.0194 (7) | 0.0102 (6) | 0.0169 (6) | −0.0060 (5) | 0.0059 (5) | −0.0062 (5) |
O9 | 0.0136 (7) | 0.0144 (6) | 0.0188 (7) | −0.0023 (5) | 0.0055 (5) | −0.0037 (5) |
O10 | 0.0435 (9) | 0.0161 (7) | 0.0268 (8) | −0.0075 (6) | 0.0089 (7) | −0.0127 (6) |
B1 | 0.0142 (10) | 0.0179 (10) | 0.0155 (10) | −0.0022 (8) | 0.0007 (8) | −0.0091 (8) |
B2 | 0.0131 (10) | 0.0117 (9) | 0.0127 (9) | −0.0040 (7) | 0.0011 (8) | −0.0039 (7) |
B3 | 0.0145 (10) | 0.0107 (9) | 0.0122 (9) | −0.0018 (7) | −0.0003 (8) | −0.0044 (7) |
B4 | 0.0113 (9) | 0.0105 (9) | 0.0124 (9) | −0.0031 (7) | 0.0023 (8) | −0.0051 (7) |
Geometric parameters (Å, º) top
K1—O3 | 2.7315 (14) | O4—B2 | 1.441 (2) |
K1—O5i | 2.7608 (14) | O4—K1i | 2.7783 (14) |
K1—O4i | 2.7782 (14) | O4—K2x | 2.8624 (13) |
K1—O2ii | 2.8174 (16) | O4—H4 | 0.825 (17) |
K1—O7iii | 2.8759 (15) | O5—B3 | 1.363 (2) |
K1—O9iv | 2.9741 (14) | O5—B2 | 1.512 (2) |
K1—O10iv | 3.0799 (18) | O5—K1i | 2.7608 (14) |
K1—O6iv | 3.2608 (13) | O5—K2ix | 2.8982 (14) |
K1—O4 | 3.2684 (14) | O6—B4 | 1.451 (2) |
K2—O10v | 2.7938 (16) | O6—B2 | 1.471 (2) |
K2—O8vi | 2.8461 (14) | O6—K1xi | 3.2608 (13) |
K2—O4vii | 2.8624 (13) | O7—B3 | 1.383 (2) |
K2—O7viii | 2.8877 (15) | O7—K1xii | 2.8759 (15) |
K2—O5ix | 2.8982 (14) | O7—K2xiii | 2.8877 (15) |
K2—O3ix | 2.9142 (15) | O7—H7 | 0.834 (18) |
K2—O1 | 2.9274 (13) | O8—B3 | 1.372 (3) |
K2—O9vi | 3.0031 (14) | O8—B4 | 1.508 (2) |
K2—O2 | 3.2690 (18) | O8—K2vi | 2.8461 (14) |
O1—B1 | 1.356 (3) | O9—B4 | 1.453 (2) |
O1—B4 | 1.497 (2) | O9—K1xi | 2.9741 (14) |
O2—B1 | 1.390 (2) | O9—K2vi | 3.0031 (14) |
O2—K1ii | 2.8174 (16) | O9—H9 | 0.825 (17) |
O2—H2 | 0.804 (17) | O10—K2v | 2.7939 (16) |
O3—B1 | 1.361 (3) | O10—K1xi | 3.0799 (18) |
O3—B2 | 1.495 (2) | O10—H10A | 0.856 (17) |
O3—K2ix | 2.9142 (15) | O10—H10B | 0.850 (17) |
| | | |
O3—K1—O5i | 124.63 (4) | B1—O3—K2ix | 107.19 (11) |
O3—K1—O4i | 83.56 (4) | B2—O3—K2ix | 98.46 (10) |
O5i—K1—O4i | 52.02 (4) | K1—O3—K2ix | 90.33 (4) |
O3—K1—O2ii | 102.87 (5) | B2—O4—K1i | 99.00 (10) |
O5i—K1—O2ii | 127.95 (5) | B2—O4—K2x | 167.17 (11) |
O4i—K1—O2ii | 167.06 (5) | K1i—O4—K2x | 90.48 (4) |
O3—K1—O7iii | 91.40 (4) | B2—O4—K1 | 91.71 (10) |
O5i—K1—O7iii | 87.71 (4) | K1i—O4—K1 | 109.46 (4) |
O4i—K1—O7iii | 121.96 (4) | K2x—O4—K1 | 76.91 (3) |
O2ii—K1—O7iii | 69.61 (4) | B2—O4—H4 | 105 (2) |
O3—K1—O9iv | 72.91 (4) | K1i—O4—H4 | 83 (2) |
O5i—K1—O9iv | 117.88 (4) | K2x—O4—H4 | 84 (2) |
O4i—K1—O9iv | 77.28 (4) | K1—O4—H4 | 158 (2) |
O2ii—K1—O9iv | 93.72 (4) | B3—O5—B2 | 118.48 (15) |
O7iii—K1—O9iv | 154.34 (4) | B3—O5—K1i | 135.06 (11) |
O3—K1—O10iv | 149.75 (4) | B2—O5—K1i | 97.85 (10) |
O5i—K1—O10iv | 74.23 (4) | B3—O5—K2ix | 112.27 (11) |
O4i—K1—O10iv | 94.59 (4) | B2—O5—K2ix | 98.67 (9) |
O2ii—K1—O10iv | 74.14 (4) | K1i—O5—K2ix | 85.04 (4) |
O7iii—K1—O10iv | 114.49 (4) | B4—O6—B2 | 111.10 (13) |
O9iv—K1—O10iv | 77.23 (4) | B4—O6—K1xi | 95.42 (10) |
O3—K1—O6iv | 108.12 (4) | B2—O6—K1xi | 153.42 (10) |
O5i—K1—O6iv | 75.04 (4) | B3—O7—K1xii | 122.95 (11) |
O4i—K1—O6iv | 55.28 (4) | B3—O7—K2xiii | 132.83 (12) |
O2ii—K1—O6iv | 111.80 (4) | K1xii—O7—K2xiii | 83.18 (4) |
O7iii—K1—O6iv | 159.03 (4) | B3—O7—H7 | 110 (2) |
O9iv—K1—O6iv | 44.97 (3) | K1xii—O7—H7 | 95 (2) |
O10iv—K1—O6iv | 49.71 (4) | K2xiii—O7—H7 | 106 (2) |
O3—K1—O4 | 45.69 (3) | B3—O8—B4 | 118.94 (14) |
O5i—K1—O4 | 85.16 (4) | B3—O8—K2vi | 111.12 (11) |
O4i—K1—O4 | 70.54 (5) | B4—O8—K2vi | 97.89 (10) |
O2ii—K1—O4 | 121.96 (4) | B4—O9—K1xi | 108.04 (10) |
O7iii—K1—O4 | 65.58 (4) | B4—O9—K2vi | 92.77 (10) |
O9iv—K1—O4 | 111.87 (4) | K1xi—O9—K2vi | 84.16 (4) |
O10iv—K1—O4 | 159.30 (4) | B4—O9—H9 | 99.7 (15) |
O6iv—K1—O4 | 123.31 (3) | K1xi—O9—H9 | 152.0 (16) |
O10v—K2—O8vi | 68.19 (4) | K2vi—O9—H9 | 98.6 (18) |
O10v—K2—O4vii | 126.34 (5) | K2v—O10—K1xi | 85.71 (5) |
O8vi—K2—O4vii | 78.89 (4) | K2v—O10—H10A | 155 (2) |
O10v—K2—O7viii | 74.82 (4) | K1xi—O10—H10A | 72 (2) |
O8vi—K2—O7viii | 100.77 (4) | K2v—O10—H10B | 85 (2) |
O4vii—K2—O7viii | 71.12 (4) | K1xi—O10—H10B | 99 (2) |
O10v—K2—O5ix | 126.21 (4) | H10A—O10—H10B | 108 (2) |
O8vi—K2—O5ix | 165.60 (4) | O1—B1—O3 | 124.20 (17) |
O4vii—K2—O5ix | 90.65 (4) | O1—B1—O2 | 116.26 (18) |
O7viii—K2—O5ix | 84.92 (4) | O3—B1—O2 | 119.54 (18) |
O10v—K2—O3ix | 154.22 (5) | O1—B1—K2 | 52.28 (9) |
O8vi—K2—O3ix | 118.33 (4) | O3—B1—K2 | 162.79 (13) |
O4vii—K2—O3ix | 78.91 (4) | O2—B1—K2 | 66.91 (11) |
O7viii—K2—O3ix | 124.27 (4) | O1—B1—K2ix | 123.52 (12) |
O5ix—K2—O3ix | 49.06 (3) | O3—B1—K2ix | 51.40 (9) |
O10v—K2—O1 | 59.69 (4) | O2—B1—K2ix | 95.47 (12) |
O8vi—K2—O1 | 71.95 (4) | K2—B1—K2ix | 114.13 (6) |
O4vii—K2—O1 | 144.45 (4) | O4—B2—O6 | 111.51 (14) |
O7viii—K2—O1 | 133.55 (4) | O4—B2—O3 | 108.42 (14) |
O5ix—K2—O1 | 113.64 (4) | O6—B2—O3 | 110.00 (15) |
O3ix—K2—O1 | 97.25 (4) | O4—B2—O5 | 110.66 (15) |
O10v—K2—O9vi | 108.20 (4) | O6—B2—O5 | 109.36 (14) |
O8vi—K2—O9vi | 48.87 (4) | O3—B2—O5 | 106.78 (14) |
O4vii—K2—O9vi | 75.56 (4) | O4—B2—K1i | 55.65 (9) |
O7viii—K2—O9vi | 138.95 (4) | O6—B2—K1i | 133.31 (11) |
O5ix—K2—O9vi | 119.08 (4) | O3—B2—K1i | 116.64 (12) |
O3ix—K2—O9vi | 70.02 (4) | O5—B2—K1i | 55.37 (8) |
O1—K2—O9vi | 70.06 (4) | O4—B2—K2ix | 103.66 (11) |
O10v—K2—O2 | 71.45 (5) | O6—B2—K2ix | 144.84 (11) |
O8vi—K2—O2 | 115.02 (4) | O3—B2—K2ix | 56.29 (8) |
O4vii—K2—O2 | 161.79 (4) | O5—B2—K2ix | 55.77 (8) |
O7viii—K2—O2 | 115.01 (4) | K1i—B2—K2ix | 68.57 (4) |
O5ix—K2—O2 | 73.42 (4) | O5—B3—O8 | 122.62 (16) |
O3ix—K2—O2 | 83.88 (4) | O5—B3—O7 | 118.18 (18) |
O1—K2—O2 | 43.80 (4) | O8—B3—O7 | 119.19 (17) |
O9vi—K2—O2 | 104.13 (4) | O5—B3—K2vi | 129.93 (12) |
B1—O1—B4 | 118.49 (15) | O8—B3—K2vi | 47.92 (9) |
B1—O1—K2 | 106.22 (11) | O7—B3—K2vi | 92.06 (11) |
B4—O1—K2 | 132.16 (10) | O6—B4—O9 | 111.38 (14) |
B1—O2—K1ii | 126.73 (13) | O6—B4—O1 | 110.21 (14) |
B1—O2—K2 | 90.06 (12) | O9—B4—O1 | 109.12 (15) |
K1ii—O2—K2 | 81.83 (4) | O6—B4—O8 | 107.72 (14) |
B1—O2—H2 | 109 (2) | O9—B4—O8 | 109.87 (14) |
K1ii—O2—H2 | 105 (2) | O1—B4—O8 | 108.48 (14) |
K2—O2—H2 | 149 (2) | O6—B4—K2vi | 99.24 (10) |
B1—O3—B2 | 117.57 (15) | O9—B4—K2vi | 61.95 (9) |
B1—O3—K1 | 121.32 (11) | O1—B4—K2vi | 150.20 (12) |
B2—O3—K1 | 114.18 (10) | O8—B4—K2vi | 56.04 (8) |
| | | |
B4—O1—B1—O3 | 3.3 (3) | B3—O5—B2—O4 | 145.94 (16) |
K2—O1—B1—O3 | −159.13 (16) | K1i—O5—B2—O4 | −6.65 (15) |
B4—O1—B1—O2 | −176.73 (16) | K2ix—O5—B2—O4 | −92.79 (13) |
K2—O1—B1—O2 | 20.86 (19) | B3—O5—B2—O6 | 22.7 (2) |
B4—O1—B1—K2 | 162.41 (17) | K1i—O5—B2—O6 | −129.86 (12) |
B4—O1—B1—K2ix | 66.24 (18) | K2ix—O5—B2—O6 | 144.00 (11) |
K2—O1—B1—K2ix | −96.17 (11) | B3—O5—B2—O3 | −96.26 (18) |
B2—O3—B1—O1 | −1.4 (3) | K1i—O5—B2—O3 | 111.15 (12) |
K1—O3—B1—O1 | −150.56 (14) | K2ix—O5—B2—O3 | 25.01 (14) |
K2ix—O3—B1—O1 | 108.18 (18) | B3—O5—B2—K1i | 152.59 (16) |
B2—O3—B1—O2 | 178.60 (16) | K2ix—O5—B2—K1i | −86.14 (5) |
K1—O3—B1—O2 | 29.4 (2) | B3—O5—B2—K2ix | −121.27 (15) |
K2ix—O3—B1—O2 | −71.82 (19) | K1i—O5—B2—K2ix | 86.14 (5) |
B2—O3—B1—K2 | −73.6 (5) | B2—O5—B3—O8 | 8.0 (2) |
K1—O3—B1—K2 | 137.3 (4) | K1i—O5—B3—O8 | 147.81 (13) |
K2ix—O3—B1—K2 | 36.0 (5) | K2ix—O5—B3—O8 | −106.03 (16) |
B2—O3—B1—K2ix | −109.58 (15) | B2—O5—B3—O7 | −171.96 (15) |
K1—O3—B1—K2ix | 101.26 (11) | K1i—O5—B3—O7 | −32.2 (2) |
K1ii—O2—B1—O1 | 62.0 (2) | K2ix—O5—B3—O7 | 73.99 (17) |
K2—O2—B1—O1 | −17.83 (16) | B2—O5—B3—K2vi | −51.8 (2) |
K1ii—O2—B1—O3 | −118.01 (17) | K1i—O5—B3—K2vi | 87.94 (18) |
K2—O2—B1—O3 | 162.16 (16) | K2ix—O5—B3—K2vi | −165.90 (8) |
K1ii—O2—B1—K2 | 79.83 (12) | B4—O8—B3—O5 | −4.2 (2) |
K1ii—O2—B1—K2ix | −166.25 (9) | K2vi—O8—B3—O5 | −116.66 (16) |
K2—O2—B1—K2ix | 113.93 (5) | B4—O8—B3—O7 | 175.75 (15) |
K1i—O4—B2—O6 | 128.59 (12) | K2vi—O8—B3—O7 | 63.32 (18) |
K2x—O4—B2—O6 | −94.2 (5) | B4—O8—B3—K2vi | 112.44 (15) |
K1—O4—B2—O6 | −121.41 (13) | K1xii—O7—B3—O5 | −77.59 (19) |
K1i—O4—B2—O3 | −110.17 (13) | K2xiii—O7—B3—O5 | 36.5 (2) |
K2x—O4—B2—O3 | 27.0 (6) | K1xii—O7—B3—O8 | 102.43 (17) |
K1—O4—B2—O3 | −0.16 (13) | K2xiii—O7—B3—O8 | −143.50 (13) |
K1i—O4—B2—O5 | 6.62 (14) | K1xii—O7—B3—K2vi | 144.00 (8) |
K2x—O4—B2—O5 | 143.8 (5) | K2xiii—O7—B3—K2vi | −101.93 (13) |
K1—O4—B2—O5 | 116.63 (12) | B2—O6—B4—O9 | −177.72 (14) |
K2x—O4—B2—K1i | 137.2 (5) | K1xi—O6—B4—O9 | 3.91 (14) |
K1—O4—B2—K1i | 110.00 (6) | B2—O6—B4—O1 | −56.45 (18) |
K1i—O4—B2—K2ix | −51.57 (8) | K1xi—O6—B4—O1 | 125.17 (12) |
K2x—O4—B2—K2ix | 85.6 (5) | B2—O6—B4—O8 | 61.73 (17) |
K1—O4—B2—K2ix | 58.43 (6) | K1xi—O6—B4—O8 | −116.65 (12) |
B4—O6—B2—O4 | 178.63 (13) | B2—O6—B4—K2vi | 118.90 (12) |
K1xi—O6—B2—O4 | −5.0 (3) | K1xi—O6—B4—K2vi | −59.48 (6) |
B4—O6—B2—O3 | 58.31 (18) | K1xi—O9—B4—O6 | −4.49 (16) |
K1xi—O6—B2—O3 | −125.31 (19) | K2vi—O9—B4—O6 | −89.24 (13) |
B4—O6—B2—O5 | −58.66 (18) | K1xi—O9—B4—O1 | −126.38 (11) |
K1xi—O6—B2—O5 | 117.7 (2) | K2vi—O9—B4—O1 | 148.87 (11) |
B4—O6—B2—K1i | −118.89 (15) | K1xi—O9—B4—O8 | 114.80 (12) |
K1xi—O6—B2—K1i | 57.5 (3) | K2vi—O9—B4—O8 | 30.05 (13) |
B4—O6—B2—K2ix | −1.1 (3) | K1xi—O9—B4—K2vi | 84.75 (6) |
K1xi—O6—B2—K2ix | 175.28 (8) | B1—O1—B4—O6 | 25.8 (2) |
B1—O3—B2—O4 | −151.09 (16) | K2—O1—B4—O6 | −177.26 (9) |
K1—O3—B2—O4 | 0.22 (18) | B1—O1—B4—O9 | 148.38 (15) |
K2ix—O3—B2—O4 | 94.41 (13) | K2—O1—B4—O9 | −54.66 (19) |
B1—O3—B2—O6 | −28.9 (2) | B1—O1—B4—O8 | −91.93 (18) |
K1—O3—B2—O6 | 122.39 (12) | K2—O1—B4—O8 | 65.03 (19) |
K2ix—O3—B2—O6 | −143.42 (11) | B1—O1—B4—K2vi | −145.0 (2) |
B1—O3—B2—O5 | 89.65 (19) | K2—O1—B4—K2vi | 12.0 (3) |
K1—O3—B2—O5 | −119.05 (12) | B3—O8—B4—O6 | −30.2 (2) |
K2ix—O3—B2—O5 | −24.85 (14) | K2vi—O8—B4—O6 | 89.31 (12) |
B1—O3—B2—K1i | 148.80 (13) | B3—O8—B4—O9 | −151.68 (15) |
K1—O3—B2—K1i | −59.89 (12) | K2vi—O8—B4—O9 | −32.19 (14) |
K2ix—O3—B2—K1i | 34.30 (10) | B3—O8—B4—O1 | 89.11 (18) |
B1—O3—B2—K2ix | 114.50 (15) | K2vi—O8—B4—O1 | −151.40 (11) |
K1—O3—B2—K2ix | −94.20 (8) | B3—O8—B4—K2vi | −119.49 (15) |
Symmetry codes: (i) −x, −y+1, −z+2; (ii) −x, −y+1, −z+1; (iii) x, y−1, z; (iv) x−1, y, z; (v) −x+1, −y+1, −z+1; (vi) −x+1, −y+2, −z+1; (vii) x, y+1, z−1; (viii) x, y, z−1; (ix) −x, −y+2, −z+1; (x) x, y−1, z+1; (xi) x+1, y, z; (xii) x, y+1, z; (xiii) x, y, z+1. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
O9—H9···O8vi | 0.83 (2) | 2.02 (2) | 2.8385 (18) | 173 (2) |
O4—H4···O6xiv | 0.83 (2) | 2.03 (2) | 2.8338 (18) | 164 (3) |
O2—H2···O9iv | 0.80 (2) | 2.19 (2) | 2.957 (2) | 161 (3) |
O10—H10A···O6 | 0.86 (2) | 1.82 (2) | 2.6704 (18) | 175 (3) |
O10—H10B···O1v | 0.85 (2) | 2.10 (2) | 2.850 (2) | 146 (3) |
O7—H7···O10xii | 0.83 (2) | 2.00 (2) | 2.823 (2) | 169 (3) |
Symmetry codes: (iv) x−1, y, z; (v) −x+1, −y+1, −z+1; (vi) −x+1, −y+2, −z+1; (xii) x, y+1, z; (xiv) −x+1, −y+1, −z+2. |