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The complex nickel(II) anion comprises a pseudomacrocyclic hydrazide-based ligand with an L shape. In the crystal, such anions are connected with the potassium cations and the water solvent mol­ecules, forming a three-dimensional polymeric framework, which is stabilized by an extensive system of hydrogen bonds.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S205698902100205X/wm5595sup1.cif
Contains datablock I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S205698902100205X/wm5595Isup3.hkl
Contains datablock I

cdx

Chemdraw file https://doi.org/10.1107/S205698902100205X/wm5595Isup4.cdx
Supplementary material

CCDC reference: 2064313

Key indicators

  • Single-crystal X-ray study
  • T = 100 K
  • Mean [sigma](C-C) = 0.003 Å
  • Disorder in main residue
  • R factor = 0.033
  • wR factor = 0.076
  • Data-to-parameter ratio = 18.5

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT220_ALERT_2_C NonSolvent Resd 1 O Ueq(max)/Ueq(min) Range 3.6 Ratio PLAT222_ALERT_3_C NonSolvent Resd 1 H Uiso(max)/Uiso(min) Range 4.7 Ratio PLAT369_ALERT_2_C Long C(sp2)-C(sp2) Bond C1 - C2 . 1.54 Ang. PLAT369_ALERT_2_C Long C(sp2)-C(sp2) Bond C1B - C2B . 1.54 Ang. PLAT369_ALERT_2_C Long C(sp2)-C(sp2) Bond C6 - C7 . 1.54 Ang. PLAT369_ALERT_2_C Long C(sp2)-C(sp2) Bond C6B - C7B . 1.54 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H2W1 ..O5W . 2.61 Ang. PLAT906_ALERT_3_C Large K Value in the Analysis of Variance ...... 2.130 Check PLAT911_ALERT_3_C Missing FCF Refl Between Thmin & STh/L= 0.600 21 Report PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 6 Note PLAT975_ALERT_2_C Check Calcd Resid. Dens. 0.66A From O4WA 0.44 eA-3 PLAT975_ALERT_2_C Check Calcd Resid. Dens. 1.04A From O3W 0.43 eA-3 PLAT976_ALERT_2_C Check Calcd Resid. Dens. 0.73A From O5W -0.54 eA-3 PLAT976_ALERT_2_C Check Calcd Resid. Dens. 0.59A From O3W -0.47 eA-3
Alert level G FORMU01_ALERT_1_G There is a discrepancy between the atom counts in the _chemical_formula_sum and _chemical_formula_moiety. This is usually due to the moiety formula being in the wrong format. Atom count from _chemical_formula_sum: C14 H21.61 K4 N8 Ni2 O18.81 Atom count from _chemical_formula_moiety:C14 H21.6 K4 N8 Ni2 O18.8 PLAT004_ALERT_5_G Polymeric Structure Found with Maximum Dimension 3 Info PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms .............. 12 Report PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ Please Check PLAT068_ALERT_1_G Reported F000 Differs from Calcd (or Missing)... Please Check PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large 9.93 Why ? PLAT171_ALERT_4_G The CIF-Embedded .res File Contains EADP Records 1 Report PLAT301_ALERT_3_G Main Residue Disorder ..............(Resd 1 ) 8% Note PLAT303_ALERT_2_G Full Occupancy Atom H1W3 with # Connections 1.04 Check PLAT398_ALERT_2_G Deviating C-O-C Angle From 120 for O5 109.7 Degree PLAT398_ALERT_2_G Deviating C-O-C Angle From 120 for O5B 109.8 Degree PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 20 Note PLAT764_ALERT_4_G Overcomplete CIF Bond List Detected (Rep/Expd) . 1.38 Ratio PLAT774_ALERT_1_G Check X-Y Bond in CIF: K1 --K4B .. 4.03 Ang. PLAT774_ALERT_1_G Check X-Y Bond in CIF: K3A --K4B .. 4.25 Ang. PLAT774_ALERT_1_G Check X-Y Bond in CIF: K3B --K4B .. 4.51 Ang. PLAT793_ALERT_4_G Model has Chirality at N3B (Centro SPGR) S Verify PLAT794_ALERT_5_G Tentative Bond Valency for Ni1 (III) . 2.83 Info PLAT794_ALERT_5_G Tentative Bond Valency for Ni1B (III) . 2.82 Info PLAT910_ALERT_3_G Missing # of FCF Reflection(s) Below Theta(Min). 1 Note PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 92 Note PLAT978_ALERT_2_G Number C-C Bonds with Positive Residual Density. 4 Info
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 14 ALERT level C = Check. Ensure it is not caused by an omission or oversight 22 ALERT level G = General information/check it is not something unexpected 6 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 14 ALERT type 2 Indicator that the structure model may be wrong or deficient 6 ALERT type 3 Indicator that the structure quality may be low 6 ALERT type 4 Improvement, methodology, query or suggestion 4 ALERT type 5 Informative message, check

Computing details top

Data collection: APEX3 (Bruker, 2016); cell refinement: SAINT (Bruker, 2016); data reduction: SAINT (Bruker, 2016); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2018/1 (Sheldrick, 2015); molecular graphics: DIAMOND (Brandenburg, 2009); software used to prepare material for publication: publCIF (Westrip, 2010).

Poly[[bis[µ4-N,N'-(1,3,5-oxadiazinane-3,5-diyl)bis(carbamoylmethanoato)]nickel(II)tetrapotassium] 4.8-hydrate] top
Crystal data top
[K4Ni2(C7H6N4O7)2]·4.8H2ODx = 2.053 Mg m3
Mr = 876.66Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, PbcaCell parameters from 18674 reflections
a = 15.0694 (3) Åθ = 1.0–30.0°
b = 16.9659 (3) ŵ = 2.01 mm1
c = 22.1920 (4) ÅT = 100 K
V = 5673.74 (18) Å3Block, orange
Z = 80.31 × 0.26 × 0.23 mm
F(000) = 3552
Data collection top
Bruker Kappa APEXII CCD
diffractometer
8287 independent reflections
Radiation source: fine-focus sealed tube7371 reflections with I > 2σ(I)
Horizontally mounted graphite crystal monochromatorRint = 0.037
Detector resolution: 16 pixels mm-1θmax = 30.2°, θmin = 2.0°
φ scans and ω scans with κ offseth = 2021
Absorption correction: multi-scan
(SADABS; Krause et al., 2015)
k = 2319
Tmin = 0.572, Tmax = 0.653l = 3131
51429 measured reflections
Refinement top
Refinement on F20 restraints
Least-squares matrix: fullHydrogen site location: mixed
R[F2 > 2σ(F2)] = 0.033H-atom parameters constrained
wR(F2) = 0.076 w = 1/[σ2(Fo2) + (0.0165P)2 + 9.9285P]
where P = (Fo2 + 2Fc2)/3
S = 1.10(Δ/σ)max = 0.002
8287 reflectionsΔρmax = 0.81 e Å3
448 parametersΔρmin = 0.69 e Å3
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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Ni10.39976 (2)0.03560 (2)0.25909 (2)0.01144 (6)
K10.42066 (3)0.10115 (3)0.50619 (2)0.01944 (9)
K20.62602 (3)0.12976 (3)0.37947 (2)0.01642 (8)
K3A0.6573 (3)0.0634 (2)0.0628 (2)0.0156 (10)0.46 (3)
K3B0.6592 (3)0.0786 (9)0.0646 (2)0.0447 (9)0.54 (3)
K4A0.81367 (4)0.18864 (3)0.48907 (2)0.02787 (14)0.9643 (15)
K4B0.8620 (12)0.1672 (10)0.4887 (6)0.02787 (14)0.0357 (15)
O10.48022 (9)0.05193 (8)0.19539 (6)0.0158 (3)
O20.48968 (8)0.03838 (8)0.31915 (6)0.0147 (3)
O30.50728 (9)0.01073 (9)0.41691 (6)0.0175 (3)
O40.32237 (9)0.00551 (9)0.42549 (6)0.0187 (3)
O50.23246 (9)0.10170 (8)0.25535 (6)0.0175 (3)
O60.29549 (9)0.06429 (10)0.09851 (6)0.0209 (3)
O70.48153 (10)0.07263 (11)0.09625 (7)0.0290 (4)
O1W0.24931 (12)0.08231 (11)0.54478 (7)0.0294 (4)
H1W10.2362690.0394930.5682450.044*
H2W10.2269690.1224930.5597450.044*
O2W0.63486 (14)0.13337 (10)0.50382 (8)0.0361 (4)
H1W20.6242920.1719550.5302190.054*
H2W20.6476970.0869650.5244200.054*
O3W0.91669 (13)0.06558 (12)0.52097 (8)0.0383 (4)
H1W30.9265100.0622800.4825960.057*
H2W30.9679210.0845410.5365160.057*
O4WA0.60586 (13)0.23598 (13)0.07782 (10)0.0309 (6)0.805 (4)
H1W40.6553530.2184520.0903990.046*0.805 (4)
H2W40.5673820.2396870.1091450.046*0.805 (4)
O5W0.5651 (2)0.16499 (15)0.03385 (13)0.0532 (9)0.805 (4)
H5WC0.5465730.2075390.0497040.080*0.805 (4)
H5WB0.5883930.1773290.0002840.080*0.805 (4)
O4WB0.5638 (6)0.2234 (6)0.0249 (4)0.032 (2)0.195 (4)
H3W40.5319300.2343220.0553840.048*0.195 (4)
H4W40.5327960.2404230.0061820.048*0.195 (4)
N10.32286 (10)0.01942 (9)0.32277 (7)0.0125 (3)
N20.22857 (10)0.01217 (10)0.31956 (7)0.0129 (3)
N30.22075 (10)0.02637 (10)0.20888 (7)0.0137 (3)
N40.31391 (10)0.03568 (10)0.19995 (7)0.0128 (3)
C10.46081 (12)0.01956 (11)0.37164 (8)0.0134 (3)
C20.35945 (12)0.00948 (11)0.37637 (8)0.0131 (3)
C30.19564 (12)0.05825 (11)0.26801 (8)0.0138 (3)
H3A0.1301030.0609140.2703320.017*
H3B0.2186260.1127390.2713340.017*
C40.20301 (13)0.07011 (12)0.31134 (9)0.0167 (4)
H4A0.2282290.1018820.3446150.020*
H4B0.1375680.0743620.3135530.020*
C50.19597 (13)0.05675 (12)0.20682 (9)0.0177 (4)
H5A0.1304670.0610030.2080060.021*
H5B0.2164170.0795340.1681700.021*
C60.34091 (12)0.05407 (11)0.14507 (8)0.0146 (3)
C70.44272 (12)0.06056 (12)0.14422 (9)0.0166 (4)
Ni1B0.85260 (2)0.23735 (2)0.24199 (2)0.01304 (6)
O1B0.77709 (9)0.22102 (9)0.17472 (6)0.0180 (3)
O2B0.75916 (9)0.23086 (8)0.29873 (6)0.0162 (3)
O3B0.73206 (9)0.26008 (9)0.39495 (7)0.0212 (3)
O4B0.91522 (10)0.28278 (10)0.41008 (7)0.0220 (3)
O5B1.01572 (10)0.37800 (8)0.24472 (7)0.0203 (3)
O6B0.96972 (11)0.21209 (10)0.08487 (7)0.0253 (3)
O7B0.78613 (11)0.19730 (10)0.07598 (7)0.0251 (3)
N1B0.92407 (10)0.25393 (10)0.30822 (7)0.0148 (3)
N2B1.01790 (10)0.26347 (10)0.30814 (7)0.0151 (3)
N3B1.03515 (10)0.25123 (10)0.19792 (7)0.0160 (3)
N4B0.94292 (10)0.23990 (10)0.18580 (7)0.0153 (3)
C1B0.78284 (12)0.25187 (11)0.35171 (9)0.0152 (3)
C2B0.88312 (12)0.26501 (11)0.36010 (9)0.0153 (3)
C3B1.05635 (12)0.21901 (12)0.25760 (9)0.0159 (3)
H3B11.1216500.2178350.2623720.019*
H3B21.0347730.1639580.2595960.019*
C4B1.04157 (13)0.34622 (12)0.30124 (9)0.0196 (4)
H4B11.0129780.3769940.3337940.024*
H4B21.1066080.3518720.3057990.024*
C5B1.05732 (13)0.33496 (12)0.19717 (10)0.0200 (4)
H5B11.1224710.3409390.2006220.024*
H5B21.0389270.3577340.1580400.024*
C6B0.92131 (13)0.22112 (12)0.13005 (9)0.0171 (4)
C7B0.82017 (13)0.21177 (12)0.12558 (9)0.0178 (4)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ni10.00784 (10)0.01467 (12)0.01179 (11)0.00082 (8)0.00019 (7)0.00124 (8)
K10.0243 (2)0.0196 (2)0.01449 (18)0.00216 (16)0.00152 (15)0.00092 (15)
K20.01387 (17)0.0187 (2)0.01671 (18)0.00075 (14)0.00052 (14)0.00027 (14)
K3A0.0119 (9)0.018 (2)0.0172 (9)0.0053 (6)0.0008 (6)0.0050 (9)
K3B0.0199 (9)0.083 (3)0.0313 (13)0.0053 (16)0.0054 (8)0.0187 (14)
K4A0.0356 (3)0.0307 (3)0.0173 (2)0.0017 (2)0.00088 (19)0.00179 (19)
K4B0.0356 (3)0.0307 (3)0.0173 (2)0.0017 (2)0.00088 (19)0.00179 (19)
O10.0110 (6)0.0210 (7)0.0154 (6)0.0016 (5)0.0011 (5)0.0024 (5)
O20.0110 (6)0.0193 (7)0.0138 (6)0.0006 (5)0.0022 (5)0.0009 (5)
O30.0155 (6)0.0211 (7)0.0160 (6)0.0007 (5)0.0042 (5)0.0005 (5)
O40.0162 (6)0.0268 (8)0.0132 (6)0.0031 (6)0.0017 (5)0.0019 (5)
O50.0177 (7)0.0146 (7)0.0203 (7)0.0005 (5)0.0007 (5)0.0000 (5)
O60.0153 (6)0.0338 (9)0.0136 (6)0.0009 (6)0.0015 (5)0.0034 (6)
O70.0168 (7)0.0527 (11)0.0176 (7)0.0055 (7)0.0049 (6)0.0025 (7)
O1W0.0343 (9)0.0321 (9)0.0219 (7)0.0018 (7)0.0047 (7)0.0029 (7)
O2W0.0642 (13)0.0242 (9)0.0199 (8)0.0043 (8)0.0021 (8)0.0021 (6)
O3W0.0388 (10)0.0525 (12)0.0236 (8)0.0080 (9)0.0036 (7)0.0022 (8)
O4WA0.0185 (9)0.0401 (13)0.0341 (12)0.0043 (8)0.0101 (8)0.0022 (9)
O5W0.073 (2)0.0320 (14)0.0542 (17)0.0034 (13)0.0292 (15)0.0080 (12)
O4WB0.022 (4)0.039 (5)0.035 (5)0.010 (4)0.003 (3)0.012 (4)
N10.0084 (6)0.0152 (8)0.0139 (7)0.0007 (5)0.0009 (5)0.0004 (6)
N20.0081 (6)0.0157 (8)0.0150 (7)0.0004 (5)0.0000 (5)0.0016 (6)
N30.0072 (6)0.0181 (8)0.0158 (7)0.0021 (5)0.0002 (5)0.0014 (6)
N40.0083 (6)0.0167 (8)0.0133 (7)0.0014 (5)0.0004 (5)0.0021 (6)
C10.0137 (8)0.0108 (8)0.0159 (8)0.0015 (6)0.0011 (6)0.0014 (6)
C20.0123 (8)0.0126 (8)0.0143 (8)0.0026 (6)0.0006 (6)0.0001 (6)
C30.0103 (7)0.0153 (9)0.0159 (8)0.0008 (6)0.0004 (6)0.0022 (6)
C40.0146 (8)0.0171 (9)0.0184 (9)0.0031 (7)0.0008 (7)0.0036 (7)
C50.0157 (8)0.0192 (10)0.0183 (9)0.0039 (7)0.0008 (7)0.0002 (7)
C60.0120 (8)0.0169 (9)0.0151 (8)0.0006 (6)0.0002 (6)0.0008 (7)
C70.0139 (8)0.0190 (10)0.0169 (8)0.0011 (7)0.0014 (7)0.0004 (7)
Ni1B0.00973 (10)0.01497 (12)0.01442 (11)0.00085 (8)0.00058 (8)0.00124 (8)
O1B0.0152 (6)0.0210 (7)0.0179 (6)0.0014 (5)0.0030 (5)0.0007 (5)
O2B0.0114 (6)0.0196 (7)0.0175 (6)0.0014 (5)0.0002 (5)0.0011 (5)
O3B0.0159 (6)0.0268 (8)0.0210 (7)0.0019 (6)0.0040 (5)0.0030 (6)
O4B0.0181 (7)0.0302 (8)0.0177 (7)0.0016 (6)0.0019 (5)0.0070 (6)
O5B0.0196 (7)0.0133 (7)0.0280 (8)0.0002 (5)0.0034 (6)0.0014 (6)
O6B0.0247 (8)0.0331 (9)0.0180 (7)0.0001 (6)0.0047 (6)0.0061 (6)
O7B0.0276 (8)0.0291 (9)0.0186 (7)0.0036 (6)0.0072 (6)0.0003 (6)
N1B0.0099 (7)0.0166 (8)0.0178 (7)0.0002 (6)0.0007 (5)0.0028 (6)
N2B0.0091 (6)0.0160 (8)0.0202 (8)0.0001 (6)0.0006 (6)0.0044 (6)
N3B0.0118 (7)0.0170 (8)0.0191 (8)0.0014 (6)0.0017 (6)0.0022 (6)
N4B0.0122 (7)0.0154 (8)0.0183 (7)0.0016 (6)0.0004 (6)0.0021 (6)
C1B0.0144 (8)0.0139 (9)0.0172 (8)0.0006 (7)0.0011 (6)0.0004 (7)
C2B0.0136 (8)0.0146 (9)0.0178 (8)0.0006 (6)0.0001 (6)0.0016 (7)
C3B0.0109 (8)0.0144 (9)0.0224 (9)0.0018 (6)0.0005 (6)0.0024 (7)
C4B0.0153 (8)0.0188 (10)0.0248 (10)0.0027 (7)0.0010 (7)0.0064 (8)
C5B0.0158 (9)0.0186 (10)0.0255 (10)0.0024 (7)0.0047 (7)0.0002 (8)
C6B0.0187 (9)0.0143 (9)0.0183 (9)0.0002 (7)0.0008 (7)0.0009 (7)
C7B0.0210 (9)0.0131 (9)0.0193 (9)0.0012 (7)0.0034 (7)0.0003 (7)
Geometric parameters (Å, º) top
Ni1—N41.8429 (15)K4B—O3B3.263 (17)
Ni1—N11.8479 (15)K4B—C2B3.316 (14)
Ni1—O11.8830 (13)K4B—O6Bvi3.374 (15)
Ni1—O21.9012 (13)O1—C71.277 (2)
K1—O4Bi2.7086 (15)O2—C11.284 (2)
K1—O1W2.7392 (18)O3—C11.234 (2)
K1—O3ii2.7739 (14)O4—C21.251 (2)
K1—O32.8254 (15)O5—C41.424 (2)
K1—O6Biii2.8588 (16)O5—C51.430 (2)
K1—O42.9456 (15)O6—C61.252 (2)
K1—O7Biii3.1774 (17)O7—C71.232 (2)
K1—O2W3.274 (2)O1W—H1W10.9152
K1—C13.3464 (19)O1W—H2W10.8297
K1—C23.4015 (19)O2W—H1W20.8929
K1—K4Ai3.9153 (7)O2W—H2W20.9306
K1—K4Bi4.030 (16)O3W—H1W30.8662
K2—O3B2.7495 (16)O3W—H2W30.9048
K2—O2W2.7634 (17)O4WA—H1W40.8501
K2—O32.8232 (15)O4WA—H2W40.9075
K2—O6iv2.8273 (15)O5W—H5WC0.8499
K2—O6Biii2.8505 (17)O5W—H5WB0.8499
K2—O22.9013 (14)O4WB—H3W40.8501
K2—N3iv2.9932 (16)O4WB—H4W40.8827
K2—N3Biii3.0121 (17)N1—C21.322 (2)
K2—C13.1184 (19)N1—N21.428 (2)
K2—O2B3.1903 (14)N2—C41.460 (2)
K2—C1B3.2025 (19)N2—C31.472 (2)
K2—C6Biii3.459 (2)N3—N41.427 (2)
K3A—O3Wv2.625 (4)N3—C51.460 (3)
K3A—O72.755 (4)N3—C31.469 (2)
K3A—O4iv2.761 (4)N4—C61.321 (2)
K3A—O1Wiv2.779 (5)C1—C21.541 (2)
K3A—N2iv2.954 (5)C3—H3A0.9900
K3A—O7B3.003 (5)C3—H3B0.9900
K3A—O4WA3.047 (4)C4—H4A0.9900
K3A—O5W3.082 (5)C4—H4B0.9900
K3A—O4WB3.171 (9)C5—H5A0.9900
K3A—C2iv3.456 (5)C5—H5B0.9900
K3A—K4Bv4.254 (16)C6—C71.538 (3)
K3B—O72.769 (5)Ni1B—N1B1.8436 (16)
K3B—O1Wiv2.783 (5)Ni1B—N4B1.8463 (16)
K3B—O7B2.789 (13)Ni1B—O2B1.8922 (14)
K3B—O4WA2.804 (15)Ni1B—O1B1.8975 (14)
K3B—O4iv2.851 (8)O1B—C7B1.279 (2)
K3B—O3Wv2.868 (15)O2B—C1B1.279 (2)
K3B—O4WB2.979 (15)O3B—C1B1.235 (2)
K3B—O5W2.990 (7)O4B—C2B1.247 (2)
K3B—N2iv2.995 (6)O5B—C4B1.420 (3)
K3B—C2iv3.492 (6)O5B—C5B1.428 (2)
K3B—K4Bv4.51 (2)O6B—C6B1.249 (2)
K4A—K4B0.815 (18)O7B—C7B1.239 (2)
K4A—O3W2.696 (2)N1B—C2B1.320 (2)
K4A—O3B2.7100 (16)N1B—N2B1.423 (2)
K4A—O7Bvi2.7633 (17)N2B—C4B1.457 (3)
K4A—O4B2.8223 (17)N2B—C3B1.471 (2)
K4A—O2W2.872 (2)N3B—N4B1.429 (2)
K4A—O6iv2.8815 (16)N3B—C5B1.459 (3)
K4A—C1B3.265 (2)N3B—C3B1.468 (3)
K4A—C2B3.311 (2)N4B—C6B1.318 (2)
K4A—C7Bvi3.470 (2)C1B—C2B1.539 (3)
K4B—O3W2.040 (17)C3B—H3B10.9900
K4B—O4B2.744 (15)C3B—H3B20.9900
K4B—O6iv2.792 (14)C4B—H4B10.9900
K4B—O7iv3.061 (17)C4B—H4B20.9900
K4B—O4WBiv3.201 (19)C5B—H5B10.9900
K4B—O7Bvi3.216 (16)C5B—H5B20.9900
K4B—O5Wiv3.220 (18)C6B—C7B1.536 (3)
N4—Ni1—N196.01 (7)O3W—K4A—C7Bvi97.56 (5)
N4—Ni1—O185.25 (6)O3B—K4A—C7Bvi117.90 (5)
N1—Ni1—O1178.74 (6)O7Bvi—K4A—C7Bvi18.91 (4)
N4—Ni1—O2178.28 (7)O4B—K4A—C7Bvi104.56 (5)
N1—Ni1—O285.10 (6)O2W—K4A—C7Bvi94.93 (5)
O1—Ni1—O293.65 (6)O6iv—K4A—C7Bvi161.44 (5)
O4Bi—K1—O1W80.90 (5)C1B—K4A—C7Bvi131.24 (5)
O4Bi—K1—O3ii95.01 (5)C2B—K4A—C7Bvi123.72 (5)
O1W—K1—O3ii95.56 (5)O3W—K4A—K2112.75 (5)
O4Bi—K1—O3152.85 (5)O3B—K4A—K245.40 (3)
O1W—K1—O3126.25 (5)O7Bvi—K4A—K2120.72 (4)
O3ii—K1—O383.05 (4)O4B—K4A—K298.76 (3)
O4Bi—K1—O6Biii90.81 (5)O2W—K4A—K245.59 (3)
O1W—K1—O6Biii122.79 (5)O6iv—K4A—K246.85 (3)
O3ii—K1—O6Biii141.65 (5)C1B—K4A—K252.60 (3)
O3—K1—O6Biii75.07 (5)C2B—K4A—K277.78 (3)
O4Bi—K1—O4148.05 (5)C7Bvi—K4A—K2134.15 (4)
O1W—K1—O469.17 (4)O3W—K4A—K1vii117.46 (5)
O3ii—K1—O498.66 (4)O3B—K4A—K1vii78.47 (4)
O3—K1—O458.15 (4)O7Bvi—K4A—K1vii53.51 (4)
O6Biii—K1—O496.01 (4)O4B—K4A—K1vii43.77 (3)
O4Bi—K1—O7Biii90.06 (5)O2W—K4A—K1vii132.91 (4)
O1W—K1—O7Biii68.77 (5)O6iv—K4A—K1vii136.40 (3)
O3ii—K1—O7Biii162.58 (4)C1B—K4A—K1vii77.55 (4)
O3—K1—O7Biii99.85 (4)C2B—K4A—K1vii62.40 (3)
O6Biii—K1—O7Biii54.64 (4)C7Bvi—K4A—K1vii61.41 (4)
O4—K1—O7Biii69.24 (4)K2—K4A—K1vii123.652 (17)
O4Bi—K1—O2W85.38 (5)O3W—K4B—O4B135.2 (8)
O1W—K1—O2W162.52 (5)O3W—K4B—O6iv82.0 (5)
O3ii—K1—O2W74.82 (4)O4B—K4B—O6iv96.4 (4)
O3—K1—O2W67.91 (4)O3W—K4B—O7iv62.4 (4)
O6Biii—K1—O2W67.90 (4)O4B—K4B—O7iv79.1 (4)
O4—K1—O2W126.05 (4)O6iv—K4B—O7iv57.1 (3)
O7Biii—K1—O2W122.28 (4)O3W—K4B—O4WBiv84.3 (6)
O4Bi—K1—C1156.68 (5)O4B—K4B—O4WBiv56.6 (4)
O1W—K1—C1113.65 (5)O6iv—K4B—O4WBiv117.5 (5)
O3ii—K1—C1101.25 (5)O7iv—K4B—O4WBiv62.6 (4)
O3—K1—C120.96 (4)O3W—K4B—O7Bvi122.4 (5)
O6Biii—K1—C166.10 (5)O4B—K4B—O7Bvi88.6 (4)
O4—K1—C145.11 (4)O6iv—K4B—O7Bvi137.4 (7)
O7Biii—K1—C179.38 (4)O7iv—K4B—O7Bvi162.7 (6)
O2W—K1—C182.91 (4)O3W—K4B—O5Wiv59.8 (4)
O4Bi—K1—C2154.85 (5)O4B—K4B—O5Wiv85.9 (4)
O1W—K1—C287.46 (5)O6iv—K4B—O5Wiv123.3 (6)
O3ii—K1—C2108.32 (4)O7iv—K4B—O5Wiv68.1 (4)
O3—K1—C244.20 (4)O7Bvi—K4B—O5Wiv99.1 (4)
O6Biii—K1—C276.85 (5)O3W—K4B—O3B150.9 (7)
O4—K1—C221.21 (4)O4B—K4B—O3B54.9 (3)
O7Biii—K1—C264.89 (4)O6iv—K4B—O3B69.2 (3)
O2W—K1—C2109.27 (4)O7iv—K4B—O3B102.3 (4)
C1—K1—C226.38 (4)O4WBiv—K4B—O3B111.5 (5)
O4Bi—K1—K4Ai46.13 (3)O7Bvi—K4B—O3B79.9 (4)
O1W—K1—K4Ai73.12 (4)O5Wiv—K4B—O3B140.8 (5)
O3ii—K1—K4Ai140.17 (3)O3W—K4B—C2B133.3 (7)
O3—K1—K4Ai134.72 (3)O4B—K4B—C2B21.17 (12)
O6Biii—K1—K4Ai61.69 (4)O6iv—K4B—C2B75.6 (3)
O4—K1—K4Ai111.64 (3)O7iv—K4B—C2B71.1 (3)
O7Biii—K1—K4Ai44.36 (3)O4WBiv—K4B—C2B71.3 (4)
O2W—K1—K4Ai104.74 (3)O7Bvi—K4B—C2B101.2 (5)
C1—K1—K4Ai118.37 (3)O5Wiv—K4B—C2B100.5 (4)
C2—K1—K4Ai109.12 (3)O3B—K4B—C2B42.9 (2)
O4Bi—K1—K4Bi42.7 (2)O3W—K4B—O6Bvi95.5 (5)
O1W—K1—K4Bi84.2 (3)O4B—K4B—O6Bvi80.1 (4)
O3ii—K1—K4Bi137.4 (2)O6iv—K4B—O6Bvi172.1 (7)
O3—K1—K4Bi130.6 (2)O7iv—K4B—O6Bvi115.1 (5)
O6Biii—K1—K4Bi55.6 (2)O7Bvi—K4B—O6Bvi49.9 (2)
O4—K1—K4Bi120.4 (2)O5Wiv—K4B—O6Bvi49.7 (2)
O7Biii—K1—K4Bi51.4 (2)O3B—K4B—O6Bvi113.5 (5)
O2W—K1—K4Bi93.1 (3)C2B—K4B—O6Bvi101.2 (4)
C1—K1—K4Bi117.9 (2)O3W—K4B—K1vii136.5 (6)
C2—K1—K4Bi114.2 (2)O4B—K4B—K1vii42.0 (2)
K4Ai—K1—K4Bi11.7 (3)O6iv—K4B—K1vii135.1 (5)
O3B—K2—O2W80.18 (5)O7iv—K4B—K1vii113.5 (4)
O3B—K2—O3155.07 (4)O7Bvi—K4B—K1vii50.5 (2)
O2W—K2—O375.67 (5)O5Wiv—K4B—K1vii78.1 (3)
O3B—K2—O6iv76.67 (5)O3B—K4B—K1vii71.2 (3)
O2W—K2—O6iv78.03 (5)C2B—K4B—K1vii61.0 (3)
O3—K2—O6iv103.92 (4)O6Bvi—K4B—K1vii44.33 (19)
O3B—K2—O6Biii92.95 (5)C7—O1—Ni1113.55 (12)
O2W—K2—O6Biii75.63 (5)C1—O2—Ni1112.85 (11)
O3—K2—O6Biii75.23 (5)C1—O2—K287.38 (10)
O6iv—K2—O6Biii152.98 (4)Ni1—O2—K2147.29 (7)
O3B—K2—O2154.02 (4)C1—O3—K1ii143.74 (13)
O2W—K2—O2120.44 (5)C1—O3—K291.90 (11)
O3—K2—O245.94 (4)K1ii—O3—K2114.99 (5)
O6iv—K2—O2120.63 (4)C1—O3—K1104.05 (12)
O6Biii—K2—O278.74 (4)K1ii—O3—K196.95 (4)
O3B—K2—N3iv106.02 (4)K2—O3—K196.36 (5)
O2W—K2—N3iv130.10 (5)C2—O4—K3Aiii113.48 (14)
O3—K2—N3iv94.35 (4)C2—O4—K3Biii110.5 (2)
O6iv—K2—N3iv56.79 (4)C2—O4—K1100.39 (12)
O6Biii—K2—N3iv149.67 (5)K3Aiii—O4—K197.80 (11)
O2—K2—N3iv73.88 (4)K3Biii—O4—K194.6 (2)
O3B—K2—N3Biii77.60 (5)C4—O5—C5109.67 (15)
O2W—K2—N3Biii125.18 (5)C6—O6—K4Biii117.5 (4)
O3—K2—N3Biii111.66 (4)C6—O6—K2iii113.93 (12)
O6iv—K2—N3Biii141.08 (5)K4Biii—O6—K2iii101.5 (4)
O6Biii—K2—N3Biii56.45 (4)C6—O6—K4Aiii127.32 (13)
O2—K2—N3Biii77.33 (4)K2iii—O6—K4Aiii85.11 (4)
N3iv—K2—N3Biii104.14 (5)C7—O7—K3A132.83 (17)
O3B—K2—C1162.38 (5)C7—O7—K3B133.15 (17)
O2W—K2—C196.17 (6)C7—O7—K4Biii109.9 (3)
O3—K2—C123.29 (4)K3A—O7—K4Biii115.4 (3)
O6iv—K2—C1119.69 (5)K3B—O7—K4Biii113.2 (3)
O6Biii—K2—C169.48 (5)K1—O1W—K3Aiii102.44 (11)
O2—K2—C124.28 (4)K1—O1W—K3Biii100.96 (14)
N3iv—K2—C189.59 (5)K1—O1W—H1W1118.2
N3Biii—K2—C190.89 (5)K3Aiii—O1W—H1W1106.9
O3B—K2—O2B43.31 (4)K3Biii—O1W—H1W1111.9
O2W—K2—O2B121.24 (5)K1—O1W—H2W1114.3
O3—K2—O2B161.52 (4)K3Aiii—O1W—H2W1103.7
O6iv—K2—O2B74.95 (4)K3Biii—O1W—H2W199.8
O6Biii—K2—O2B114.34 (4)H1W1—O1W—H2W1109.7
O2—K2—O2B118.26 (4)K2—O2W—K4A86.48 (5)
N3iv—K2—O2B69.34 (4)K2—O2W—K187.99 (5)
N3Biii—K2—O2B66.28 (4)K4A—O2W—K1168.91 (7)
C1—K2—O2B142.47 (4)K2—O2W—H1W2131.5
O3B—K2—C1B22.33 (4)K4A—O2W—H1W290.2
O2W—K2—C1B98.18 (6)K1—O2W—H1W286.3
O3—K2—C1B170.77 (5)K2—O2W—H2W2118.8
O6iv—K2—C1B67.72 (5)K4A—O2W—H2W297.9
O6Biii—K2—C1B110.25 (5)K1—O2W—H2W293.2
O2—K2—C1B141.22 (5)H1W2—O2W—H2W2109.6
N3iv—K2—C1B84.33 (5)K4B—O3W—K3Aviii131.1 (5)
N3Biii—K2—C1B77.48 (5)K3Aviii—O3W—K4A119.59 (11)
C1—K2—C1B165.07 (5)K4B—O3W—K3Bviii132.7 (5)
O2B—K2—C1B23.09 (4)K4A—O3W—K3Bviii121.30 (15)
O3B—K2—C6Biii99.54 (5)K4B—O3W—H1W377.2
O2W—K2—C6Biii95.40 (5)K3Aviii—O3W—H1W3111.5
O3—K2—C6Biii76.89 (4)K4A—O3W—H1W383.7
O6iv—K2—C6Biii172.82 (5)K3Bviii—O3W—H1W3110.2
O6Biii—K2—C6Biii20.01 (4)K4B—O3W—H2W3100.3
O2—K2—C6Biii65.14 (4)K3Aviii—O3W—H2W3121.6
N3iv—K2—C6Biii130.38 (5)K4A—O3W—H2W3108.4
N3Biii—K2—C6Biii41.68 (4)K3Bviii—O3W—H2W3121.0
C1—K2—C6Biii63.46 (5)H1W3—O3W—H2W3104.6
O2B—K2—C6Biii106.60 (4)K3B—O4WA—H1W456.6
C1B—K2—C6Biii110.89 (5)K3A—O4WA—H1W458.4
O3Wv—K3A—O774.60 (13)K3B—O4WA—H2W4109.2
O3Wv—K3A—O4iv93.60 (12)K3A—O4WA—H2W4108.2
O7—K3A—O4iv149.9 (2)H1W4—O4WA—H2W4109.5
O3Wv—K3A—O1Wiv90.25 (12)K3B—O5W—K4Biii103.2 (3)
O7—K3A—O1Wiv134.80 (18)K3B—O5W—H5WC151.0
O4iv—K3A—O1Wiv71.35 (10)K3A—O5W—H5WC155.6
O3Wv—K3A—N2iv102.80 (15)K4Biii—O5W—H5WC78.9
O7—K3A—N2iv97.36 (14)K3A—O5W—H5WB48.8
O4iv—K3A—N2iv57.62 (10)K4Biii—O5W—H5WB96.7
O1Wiv—K3A—N2iv127.71 (15)H5WC—O5W—H5WB106.8
O3Wv—K3A—O7B159.98 (16)K3B—O4WB—K4Biii103.9 (5)
O7—K3A—O7B123.54 (12)K3A—O4WB—K4Biii101.1 (4)
O4iv—K3A—O7B74.25 (12)K3B—O4WB—H3W4102.6
O1Wiv—K3A—O7B70.95 (12)K3A—O4WB—H3W4103.2
N2iv—K3A—O7B84.34 (12)K4Biii—O4WB—H3W466.6
O3Wv—K3A—O4WA137.03 (17)K3B—O4WB—H4W4139.2
O7—K3A—O4WA70.82 (9)K3A—O4WB—H4W4136.3
O4iv—K3A—O4WA128.73 (16)K4Biii—O4WB—H4W461.3
O1Wiv—K3A—O4WA96.31 (15)H3W4—O4WB—H4W4104.5
N2iv—K3A—O4WA106.17 (12)C2—N1—N2116.68 (15)
O7B—K3A—O4WA55.03 (8)C2—N1—Ni1116.46 (12)
O3Wv—K3A—O5W91.65 (14)N2—N1—Ni1126.77 (12)
O7—K3A—O5W73.88 (12)N1—N2—C4110.56 (14)
O4iv—K3A—O5W135.11 (18)N1—N2—C3109.18 (14)
O1Wiv—K3A—O5W64.08 (12)C4—N2—C3108.78 (15)
N2iv—K3A—O5W160.64 (13)N1—N2—K3Aiii107.01 (13)
O7B—K3A—O5W86.35 (13)C4—N2—K3Aiii107.21 (13)
O4WA—K3A—O5W54.85 (10)C3—N2—K3Aiii114.08 (12)
O3Wv—K3A—O4WB115.5 (2)N1—N2—K3Biii105.80 (15)
O7—K3A—O4WB66.17 (18)C4—N2—K3Biii112.0 (3)
O4iv—K3A—O4WB142.0 (2)C3—N2—K3Biii110.5 (3)
O1Wiv—K3A—O4WB84.0 (2)N4—N3—C5110.76 (15)
N2iv—K3A—O4WB130.4 (2)N4—N3—C3109.68 (14)
O7B—K3A—O4WB70.46 (19)C5—N3—C3108.53 (15)
O3Wv—K3A—C2iv106.96 (13)N4—N3—K2iii108.26 (10)
O7—K3A—C2iv139.22 (17)C5—N3—K2iii115.07 (11)
O4iv—K3A—C2iv19.39 (5)C3—N3—K2iii104.28 (10)
O1Wiv—K3A—C2iv85.77 (11)C6—N4—N3117.21 (15)
N2iv—K3A—C2iv41.94 (7)C6—N4—Ni1116.14 (12)
O7B—K3A—C2iv65.93 (10)N3—N4—Ni1126.28 (12)
O4WA—K3A—C2iv115.84 (13)O3—C1—O2125.22 (17)
O5W—K3A—C2iv144.82 (17)O3—C1—C2119.59 (17)
O3Wv—K3A—K4Bv21.2 (3)O2—C1—C2115.18 (15)
O7—K3A—K4Bv95.2 (3)O3—C1—K264.80 (10)
O4iv—K3A—K4Bv73.1 (3)O2—C1—K268.34 (10)
O1Wiv—K3A—K4Bv78.9 (2)C2—C1—K2148.69 (12)
N2iv—K3A—K4Bv95.5 (2)O3—C1—K154.99 (10)
O7B—K3A—K4Bv141.0 (3)O2—C1—K1140.18 (13)
O4WA—K3A—K4Bv155.3 (3)C2—C1—K178.81 (10)
O5W—K3A—K4Bv102.4 (2)K2—C1—K181.17 (4)
C2iv—K3A—K4Bv88.2 (3)O4—C2—N1128.58 (17)
O3Wv—K3A—K1iv112.95 (11)O4—C2—C1121.66 (16)
O7—K3A—K1iv167.00 (15)N1—C2—C1109.76 (15)
O4iv—K3A—K1iv42.72 (7)O4—C2—K158.41 (10)
O1Wiv—K3A—K1iv38.45 (7)N1—C2—K1144.78 (13)
N2iv—K3A—K1iv91.31 (11)C1—C2—K174.82 (10)
O7B—K3A—K1iv47.58 (7)O4—C2—K3Aiii47.13 (11)
O4WA—K3A—K1iv97.50 (12)N1—C2—K3Aiii87.14 (12)
O5W—K3A—K1iv94.88 (13)C1—C2—K3Aiii150.62 (14)
C2iv—K3A—K1iv50.58 (6)K1—C2—K3Aiii77.71 (9)
K4Bv—K3A—K1iv93.6 (2)O4—C2—K3Biii49.9 (2)
O3Wv—K3A—H1W4152.5N1—C2—K3Biii86.22 (14)
O7—K3A—H1W482.7C1—C2—K3Biii147.7 (2)
O4iv—K3A—H1W4113.6K1—C2—K3Biii76.31 (12)
O1Wiv—K3A—H1W495.0N3—C3—N2114.33 (15)
N2iv—K3A—H1W495.2N3—C3—H3A108.7
O7B—K3A—H1W441.2N2—C3—H3A108.7
O4WA—K3A—H1W415.6N3—C3—H3B108.7
O5W—K3A—H1W466.9N2—C3—H3B108.7
C2iv—K3A—H1W4100.3H3A—C3—H3B107.6
K4Bv—K3A—H1W4169.3O5—C4—N2112.75 (15)
K1iv—K3A—H1W486.9O5—C4—H4A109.0
O3Wv—K3A—H5WB105.0N2—C4—H4A109.0
O7—K3A—H5WB73.7O5—C4—H4B109.0
O4iv—K3A—H5WB136.4N2—C4—H4B109.0
O1Wiv—K3A—H5WB69.6H4A—C4—H4B107.8
N2iv—K3A—H5WB147.0O5—C5—N3113.17 (15)
O7B—K3A—H5WB75.4O5—C5—H5A108.9
O4WA—K3A—H5WB40.9N3—C5—H5A108.9
O5W—K3A—H5WB14.2O5—C5—H5B108.9
C2iv—K3A—H5WB139.3N3—C5—H5B108.9
K4Bv—K3A—H5WB116.6H5A—C5—H5B107.8
K1iv—K3A—H5WB93.8O6—C6—N4128.70 (17)
H1W4—K3A—H5WB52.7O6—C6—C7121.70 (17)
O7—K3B—O1Wiv133.9 (2)N4—C6—C7109.59 (16)
O7—K3B—O7B131.8 (5)O6—C6—K2iii47.14 (10)
O1Wiv—K3B—O7B74.2 (2)N4—C6—K2iii86.88 (11)
O7—K3B—O4WA74.4 (2)C7—C6—K2iii152.63 (13)
O1Wiv—K3B—O4WA102.1 (4)O7—C7—O1125.28 (18)
O7B—K3B—O4WA60.0 (3)O7—C7—C6119.73 (17)
O7—K3B—O4iv142.7 (5)O1—C7—C6114.98 (16)
O1Wiv—K3B—O4iv69.98 (15)N1B—Ni1B—N4B95.98 (7)
O7B—K3B—O4iv76.28 (15)N1B—Ni1B—O2B85.01 (6)
O4WA—K3B—O4iv135.7 (5)N4B—Ni1B—O2B177.89 (7)
O7—K3B—O3Wv70.7 (3)N1B—Ni1B—O1B178.86 (7)
O1Wiv—K3B—O3Wv85.4 (3)N4B—Ni1B—O1B85.08 (7)
O7B—K3B—O3Wv156.9 (3)O2B—Ni1B—O1B93.94 (6)
O4WA—K3B—O3Wv137.15 (18)C7B—O1B—Ni1B112.61 (12)
O4iv—K3B—O3Wv86.7 (4)C1B—O2B—Ni1B112.81 (12)
O7—K3B—O4WB68.8 (2)C1B—O2B—K278.99 (10)
O1Wiv—K3B—O4WB87.6 (3)Ni1B—O2B—K2150.81 (7)
O7B—K3B—O4WB76.2 (4)C1B—O3B—K4A105.49 (12)
O4iv—K3B—O4WB148.3 (4)C1B—O3B—K299.92 (12)
O3Wv—K3B—O4WB114.3 (3)K4A—O3B—K290.02 (5)
O7—K3B—O5W75.20 (14)C1B—O3B—K4B93.9 (3)
O1Wiv—K3B—O5W65.33 (14)K2—O3B—K4B92.3 (3)
O7B—K3B—O5W92.1 (4)C2B—O4B—K1vii142.90 (14)
O4WA—K3B—O5W58.2 (2)C2B—O4B—K4B106.2 (3)
O4iv—K3B—O5W135.30 (19)K1vii—O4B—K4B95.3 (3)
O3Wv—K3B—O5W89.0 (2)C2B—O4B—K4A101.84 (12)
O7—K3B—N2iv96.10 (18)K1vii—O4B—K4A90.10 (5)
O1Wiv—K3B—N2iv125.9 (2)C4B—O5B—C5B109.77 (15)
O7B—K3B—N2iv87.4 (2)C6B—O6B—K2iv108.65 (13)
O4WA—K3B—N2iv111.6 (4)C6B—O6B—K1iv119.80 (13)
O4iv—K3B—N2iv56.26 (13)K2iv—O6B—K1iv95.01 (5)
O3Wv—K3B—N2iv96.2 (4)C6B—O6B—K4Bix98.8 (3)
O5W—K3B—N2iv167.8 (4)K2iv—O6B—K4Bix150.5 (3)
O7—K3B—C2iv136.7 (3)K1iv—O6B—K4Bix80.1 (3)
O1Wiv—K3B—C2iv85.01 (14)C7B—O7B—K4Aix114.78 (13)
O7B—K3B—C2iv67.41 (13)C7B—O7B—K3B120.48 (16)
O4WA—K3B—C2iv121.9 (4)K4Aix—O7B—K3B123.07 (13)
O4iv—K3B—C2iv19.60 (5)C7B—O7B—K3A120.27 (16)
O3Wv—K3B—C2iv100.7 (4)K4Aix—O7B—K3A123.98 (10)
O5W—K3B—C2iv148.1 (2)C7B—O7B—K1iv110.33 (13)
N2iv—K3B—C2iv41.43 (8)K4Aix—O7B—K1iv82.14 (4)
O7—K3B—K1iv172.3 (2)K3B—O7B—K1iv90.9 (2)
O1Wiv—K3B—K1iv39.15 (8)K3A—O7B—K1iv88.18 (8)
O7B—K3B—K1iv48.23 (8)C7B—O7B—K4Bix104.3 (3)
O4WA—K3B—K1iv102.6 (3)K3B—O7B—K4Bix134.9 (3)
O4iv—K3B—K1iv43.58 (8)K3A—O7B—K4Bix135.4 (3)
O3Wv—K3B—K1iv108.7 (3)K1iv—O7B—K4Bix78.1 (3)
O5W—K3B—K1iv97.18 (18)C2B—N1B—N2B116.70 (16)
N2iv—K3B—K1iv91.58 (11)C2B—N1B—Ni1B116.37 (13)
C2iv—K3B—K1iv50.88 (7)N2B—N1B—Ni1B126.63 (12)
O7—K3B—K4Bv89.6 (4)N1B—N2B—C4B110.68 (15)
O1Wiv—K3B—K4Bv74.3 (4)N1B—N2B—C3B109.51 (14)
O7B—K3B—K4Bv138.6 (3)C4B—N2B—C3B108.53 (15)
O4WA—K3B—K4Bv154.1 (3)N4B—N3B—C5B110.58 (15)
O4iv—K3B—K4Bv68.1 (4)N4B—N3B—C3B109.35 (15)
O3Wv—K3B—K4Bv19.4 (3)C5B—N3B—C3B108.84 (16)
O5W—K3B—K4Bv98.4 (3)N4B—N3B—K2iv104.06 (10)
N2iv—K3B—K4Bv89.9 (4)C5B—N3B—K2iv123.74 (11)
C2iv—K3B—K4Bv83.7 (4)C3B—N3B—K2iv99.25 (11)
K1iv—K3B—K4Bv90.6 (3)C6B—N4B—N3B116.71 (16)
O7—K3B—H1W487.3C6B—N4B—Ni1B116.48 (13)
O1Wiv—K3B—H1W4101.2N3B—N4B—Ni1B126.38 (12)
O7B—K3B—H1W445.0O3B—C1B—O2B124.92 (18)
O4WA—K3B—H1W416.9O3B—C1B—C2B119.87 (17)
O4iv—K3B—H1W4119.2O2B—C1B—C2B115.19 (16)
O3Wv—K3B—H1W4154.0O3B—C1B—K257.75 (10)
O5W—K3B—H1W471.5O2B—C1B—K277.92 (10)
N2iv—K3B—H1W4100.0C2B—C1B—K2142.67 (13)
C2iv—K3B—H1W4105.0O3B—C1B—K4A53.12 (10)
K1iv—K3B—H1W491.2O2B—C1B—K4A143.73 (13)
K4Bv—K3B—H1W4170.0C2B—C1B—K4A78.17 (10)
O7—K3B—H5WB75.7K2—C1B—K4A73.31 (4)
O1Wiv—K3B—H5WB71.6O4B—C2B—N1B128.98 (18)
O7B—K3B—H5WB81.8O4B—C2B—C1B121.58 (17)
O4WA—K3B—H5WB44.5N1B—C2B—C1B109.44 (16)
O4iv—K3B—H5WB139.6O4B—C2B—K4A56.53 (11)
O3Wv—K3B—H5WB102.2N1B—C2B—K4A147.78 (14)
O5W—K3B—H5WB14.0C1B—C2B—K4A74.78 (10)
N2iv—K3B—H5WB155.9O4B—C2B—K4B52.6 (3)
C2iv—K3B—H5WB145.6N1B—C2B—K4B136.4 (3)
K1iv—K3B—H5WB97.1C1B—C2B—K4B86.4 (3)
K4Bv—K3B—H5WB112.4N3B—C3B—N2B114.29 (15)
H1W4—K3B—H5WB57.6N3B—C3B—H3B1108.7
O3W—K4A—O3B144.09 (5)N2B—C3B—H3B1108.7
O3W—K4A—O7Bvi116.45 (5)N3B—C3B—H3B2108.7
O3B—K4A—O7Bvi99.01 (5)N2B—C3B—H3B2108.7
O3W—K4A—O4B106.80 (6)H3B1—C3B—H3B2107.6
O3B—K4A—O4B60.94 (4)O5B—C4B—N2B113.06 (16)
O7Bvi—K4A—O4B96.81 (5)O5B—C4B—H4B1109.0
O3W—K4A—O2W104.92 (6)N2B—C4B—H4B1109.0
O3B—K4A—O2W78.94 (5)O5B—C4B—H4B2109.0
O7Bvi—K4A—O2W90.47 (5)N2B—C4B—H4B2109.0
O4B—K4A—O2W139.85 (5)H4B1—C4B—H4B2107.8
O3W—K4A—O6iv70.42 (5)O5B—C5B—N3B112.88 (16)
O3B—K4A—O6iv76.37 (5)O5B—C5B—H5B1109.0
O7Bvi—K4A—O6iv165.73 (5)N3B—C5B—H5B1109.0
O4B—K4A—O6iv92.69 (4)O5B—C5B—H5B2109.0
O2W—K4A—O6iv75.44 (5)N3B—C5B—H5B2109.0
O3W—K4A—C1B125.55 (5)H5B1—C5B—H5B2107.8
O3B—K4A—C1B21.38 (4)O6B—C6B—N4B129.67 (19)
O7Bvi—K4A—C1B113.59 (5)O6B—C6B—C7B121.00 (18)
O4B—K4A—C1B46.47 (4)N4B—C6B—C7B109.32 (16)
O2W—K4A—C1B94.60 (5)O6B—C6B—K2iv51.34 (11)
O6iv—K4A—C1B66.25 (5)N4B—C6B—K2iv86.86 (12)
O3W—K4A—C2B110.36 (5)C7B—C6B—K2iv146.62 (13)
O3B—K4A—C2B45.75 (5)O7B—C7B—O1B124.88 (19)
O7Bvi—K4A—C2B112.13 (5)O7B—C7B—C6B119.26 (18)
O4B—K4A—C2B21.63 (4)O1B—C7B—C6B115.85 (17)
O2W—K4A—C2B121.52 (5)O7B—C7B—K4Aix46.30 (11)
O6iv—K4A—C2B74.55 (5)O1B—C7B—K4Aix132.10 (13)
C1B—K4A—C2B27.05 (5)C6B—C7B—K4Aix91.96 (11)
O3B—K4A—K4B—O3W136.2 (12)K2—C1—C2—N192.1 (2)
O7Bvi—K4A—K4B—O3W97.0 (17)K1—C1—C2—N1143.32 (14)
O4B—K4A—K4B—O3W172.4 (19)O3—C1—C2—K138.29 (16)
O2W—K4A—K4B—O3W23 (2)O2—C1—C2—K1140.55 (16)
O6iv—K4A—K4B—O3W75.9 (16)K2—C1—C2—K151.2 (2)
C1B—K4A—K4B—O3W135.8 (14)O3—C1—C2—K3Aiii59.6 (3)
C2B—K4A—K4B—O3W151.6 (18)O2—C1—C2—K3Aiii119.2 (2)
C7Bvi—K4A—K4B—O3W85.3 (17)K2—C1—C2—K3Aiii29.9 (4)
K2—K4A—K4B—O3W80.6 (18)K1—C1—C2—K3Aiii21.3 (2)
K1vii—K4A—K4B—O3W146.5 (16)O3—C1—C2—K3Biii65.7 (5)
O3W—K4A—K4B—O4B172.4 (19)O2—C1—C2—K3Biii113.1 (4)
O3B—K4A—K4B—O4B36.2 (10)K2—C1—C2—K3Biii23.8 (5)
O7Bvi—K4A—K4B—O4B90.7 (6)K1—C1—C2—K3Biii27.4 (4)
O2W—K4A—K4B—O4B149.0 (7)N4—N3—C3—N269.27 (19)
O6iv—K4A—K4B—O4B96.5 (4)C5—N3—C3—N251.86 (19)
C1B—K4A—K4B—O4B36.6 (5)K2iii—N3—C3—N2174.98 (11)
C2B—K4A—K4B—O4B20.78 (14)N1—N2—C3—N368.50 (19)
C7Bvi—K4A—K4B—O4B102.3 (3)C4—N2—C3—N352.22 (19)
K2—K4A—K4B—O4B91.7 (7)K3Aiii—N2—C3—N3171.85 (14)
K1vii—K4A—K4B—O4B41.1 (3)K3Biii—N2—C3—N3175.6 (3)
O3W—K4A—K4B—O6iv75.9 (16)C5—O5—C4—N259.19 (19)
O3B—K4A—K4B—O6iv60.3 (10)N1—N2—C4—O564.63 (19)
O7Bvi—K4A—K4B—O6iv172.8 (3)C3—N2—C4—O555.24 (19)
O4B—K4A—K4B—O6iv96.5 (4)K3Aiii—N2—C4—O5179.06 (14)
O2W—K4A—K4B—O6iv52.5 (11)K3Biii—N2—C4—O5177.64 (17)
C1B—K4A—K4B—O6iv59.9 (5)C4—O5—C5—N359.2 (2)
C2B—K4A—K4B—O6iv75.7 (3)N4—N3—C5—O565.7 (2)
C7Bvi—K4A—K4B—O6iv161.16 (10)C3—N3—C5—O554.8 (2)
K2—K4A—K4B—O6iv4.8 (9)K2iii—N3—C5—O5171.15 (11)
K1vii—K4A—K4B—O6iv137.6 (2)K4Biii—O6—C6—N4151.4 (4)
O3W—K4A—K4B—O7iv103 (3)K2iii—O6—C6—N433.0 (3)
O3B—K4A—K4B—O7iv33 (3)K4Aiii—O6—C6—N4135.77 (18)
O7Bvi—K4A—K4B—O7iv159.8 (13)K4Biii—O6—C6—C729.9 (5)
O4B—K4A—K4B—O7iv69.2 (17)K2iii—O6—C6—C7148.30 (14)
O2W—K4A—K4B—O7iv80 (2)K4Aiii—O6—C6—C745.5 (3)
O6iv—K4A—K4B—O7iv27.3 (15)K4Biii—O6—C6—K2iii118.4 (4)
C1B—K4A—K4B—O7iv33 (2)K4Aiii—O6—C6—K2iii102.78 (16)
C2B—K4A—K4B—O7iv48.4 (17)N3—N4—C6—O60.5 (3)
C7Bvi—K4A—K4B—O7iv171.5 (16)Ni1—N4—C6—O6173.90 (17)
K2—K4A—K4B—O7iv23 (2)N3—N4—C6—C7179.34 (15)
K1vii—K4A—K4B—O7iv110.2 (18)Ni1—N4—C6—C77.3 (2)
O3W—K4A—K4B—O4WBiv155 (3)N3—N4—C6—K2iii23.05 (15)
O3B—K4A—K4B—O4WBiv68.6 (18)Ni1—N4—C6—K2iii150.34 (10)
O7Bvi—K4A—K4B—O4WBiv58.3 (17)K3A—O7—C7—O112.2 (4)
O4B—K4A—K4B—O4WBiv32.4 (12)K3B—O7—C7—O14.8 (6)
O2W—K4A—K4B—O4WBiv178.6 (5)K4Biii—O7—C7—O1151.0 (4)
O6iv—K4A—K4B—O4WBiv128.9 (15)K3A—O7—C7—C6167.15 (17)
C1B—K4A—K4B—O4WBiv69.0 (15)K3B—O7—C7—C6174.6 (5)
C2B—K4A—K4B—O4WBiv53.2 (13)K4Biii—O7—C7—C629.6 (4)
C7Bvi—K4A—K4B—O4WBiv69.9 (14)Ni1—O1—C7—O7179.31 (18)
K2—K4A—K4B—O4WBiv124.2 (12)Ni1—O1—C7—C61.3 (2)
K1vii—K4A—K4B—O4WBiv8.7 (14)O6—C6—C7—O73.3 (3)
O3W—K4A—K4B—O7Bvi97.0 (17)N4—C6—C7—O7175.6 (2)
O3B—K4A—K4B—O7Bvi126.8 (13)K2iii—C6—C7—O760.2 (4)
O4B—K4A—K4B—O7Bvi90.7 (6)O6—C6—C7—O1177.25 (18)
O2W—K4A—K4B—O7Bvi120.4 (13)N4—C6—C7—O13.8 (2)
O6iv—K4A—K4B—O7Bvi172.8 (3)K2iii—C6—C7—O1120.4 (2)
C1B—K4A—K4B—O7Bvi127.3 (8)N4B—Ni1B—O1B—C7B6.27 (14)
C2B—K4A—K4B—O7Bvi111.5 (5)O2B—Ni1B—O1B—C7B171.86 (14)
C7Bvi—K4A—K4B—O7Bvi11.7 (3)N1B—Ni1B—O2B—C1B9.98 (14)
K2—K4A—K4B—O7Bvi177.6 (12)O1B—Ni1B—O2B—C1B169.56 (14)
K1vii—K4A—K4B—O7Bvi49.6 (5)N1B—Ni1B—O2B—K299.18 (14)
O3W—K4A—K4B—O5Wiv110 (3)O1B—Ni1B—O2B—K281.28 (13)
O3B—K4A—K4B—O5Wiv113.5 (19)N4B—Ni1B—N1B—C2B172.86 (15)
O7Bvi—K4A—K4B—O5Wiv13 (3)O2B—Ni1B—N1B—C2B9.00 (15)
O4B—K4A—K4B—O5Wiv77 (2)N4B—Ni1B—N1B—N2B0.66 (16)
O2W—K4A—K4B—O5Wiv133.8 (18)O2B—Ni1B—N1B—N2B177.48 (16)
O6iv—K4A—K4B—O5Wiv174 (2)C2B—N1B—N2B—C4B83.8 (2)
C1B—K4A—K4B—O5Wiv114 (2)Ni1B—N1B—N2B—C4B89.67 (18)
C2B—K4A—K4B—O5Wiv98 (2)C2B—N1B—N2B—C3B156.56 (17)
C7Bvi—K4A—K4B—O5Wiv25 (2)Ni1B—N1B—N2B—C3B29.9 (2)
K2—K4A—K4B—O5Wiv169.0 (15)C5B—N3B—N4B—C6B98.5 (2)
K1vii—K4A—K4B—O5Wiv36 (2)C3B—N3B—N4B—C6B141.70 (17)
O3W—K4A—K4B—O3B136.2 (12)K2iv—N3B—N4B—C6B36.42 (18)
O7Bvi—K4A—K4B—O3B126.8 (13)C5B—N3B—N4B—Ni1B89.30 (18)
O4B—K4A—K4B—O3B36.2 (10)C3B—N3B—N4B—Ni1B30.5 (2)
O2W—K4A—K4B—O3B112.8 (14)K2iv—N3B—N4B—Ni1B135.82 (11)
O6iv—K4A—K4B—O3B60.3 (10)N1B—Ni1B—N4B—C6B172.60 (15)
C1B—K4A—K4B—O3B0.4 (5)O1B—Ni1B—N4B—C6B7.82 (15)
C2B—K4A—K4B—O3B15.4 (9)N1B—Ni1B—N4B—N3B0.35 (17)
C7Bvi—K4A—K4B—O3B138.5 (10)O1B—Ni1B—N4B—N3B179.92 (16)
K2—K4A—K4B—O3B55.6 (6)K4A—O3B—C1B—O2B134.87 (18)
K1vii—K4A—K4B—O3B77.3 (8)K2—O3B—C1B—O2B42.1 (2)
O3W—K4A—K4B—C2B151.6 (18)K4B—O3B—C1B—O2B135.1 (3)
O3B—K4A—K4B—C2B15.4 (9)K4A—O3B—C1B—C2B43.4 (2)
O7Bvi—K4A—K4B—C2B111.5 (5)K2—O3B—C1B—C2B136.21 (15)
O4B—K4A—K4B—C2B20.78 (14)K4B—O3B—C1B—C2B43.2 (3)
O2W—K4A—K4B—C2B128.2 (9)K4A—O3B—C1B—K292.80 (8)
O6iv—K4A—K4B—C2B75.7 (3)K4B—O3B—C1B—K293.0 (3)
C1B—K4A—K4B—C2B15.8 (4)K2—O3B—C1B—K4A92.80 (8)
C7Bvi—K4A—K4B—C2B123.12 (18)K4B—O3B—C1B—K4A0.2 (3)
K2—K4A—K4B—C2B71.0 (7)Ni1B—O2B—C1B—O3B172.58 (16)
K1vii—K4A—K4B—C2B61.87 (15)K2—O2B—C1B—O3B35.41 (19)
O3W—K4A—K4B—O6Bvi108.1 (18)Ni1B—O2B—C1B—C2B9.1 (2)
O3B—K4A—K4B—O6Bvi115.7 (7)K2—O2B—C1B—C2B142.93 (16)
O7Bvi—K4A—K4B—O6Bvi11.2 (10)Ni1B—O2B—C1B—K2152.01 (9)
O4B—K4A—K4B—O6Bvi79.5 (5)Ni1B—O2B—C1B—K4A114.02 (18)
O2W—K4A—K4B—O6Bvi131.5 (8)K2—O2B—C1B—K4A37.99 (18)
O6iv—K4A—K4B—O6Bvi176.0 (7)K1vii—O4B—C2B—N1B113.4 (2)
C1B—K4A—K4B—O6Bvi116.1 (4)K4B—O4B—C2B—N1B123.6 (4)
C2B—K4A—K4B—O6Bvi100.3 (5)K4A—O4B—C2B—N1B140.3 (2)
C7Bvi—K4A—K4B—O6Bvi22.8 (6)K1vii—O4B—C2B—C1B67.2 (3)
K2—K4A—K4B—O6Bvi171.2 (3)K4B—O4B—C2B—C1B55.8 (4)
K1vii—K4A—K4B—O6Bvi38.4 (4)K4A—O4B—C2B—C1B39.1 (2)
O3W—K4A—K4B—K1vii146.5 (16)K1vii—O4B—C2B—K4A106.3 (2)
O3B—K4A—K4B—K1vii77.3 (8)K4B—O4B—C2B—K4A16.7 (4)
O7Bvi—K4A—K4B—K1vii49.6 (5)K1vii—O4B—C2B—K4B123.0 (5)
O4B—K4A—K4B—K1vii41.1 (3)K4A—O4B—C2B—K4B16.7 (4)
O2W—K4A—K4B—K1vii170.0 (10)N2B—N1B—C2B—O4B0.2 (3)
O6iv—K4A—K4B—K1vii137.6 (2)Ni1B—N1B—C2B—O4B174.38 (18)
C1B—K4A—K4B—K1vii77.7 (3)N2B—N1B—C2B—C1B179.70 (15)
C2B—K4A—K4B—K1vii61.87 (15)Ni1B—N1B—C2B—C1B6.1 (2)
C7Bvi—K4A—K4B—K1vii61.3 (2)N2B—N1B—C2B—K4A87.5 (3)
K2—K4A—K4B—K1vii132.8 (7)Ni1B—N1B—C2B—K4A98.3 (2)
N4—Ni1—O1—C74.19 (14)N2B—N1B—C2B—K4B73.8 (5)
O2—Ni1—O1—C7174.48 (14)Ni1B—N1B—C2B—K4B112.1 (4)
N4—Ni1—N1—C2175.16 (14)O3B—C1B—C2B—O4B1.1 (3)
O2—Ni1—N1—C26.16 (14)O2B—C1B—C2B—O4B177.33 (18)
N4—Ni1—N1—N21.06 (16)K2—C1B—C2B—O4B73.7 (3)
O2—Ni1—N1—N2177.62 (15)K4A—C1B—C2B—O4B33.06 (18)
C2—N1—N2—C486.08 (19)O3B—C1B—C2B—N1B179.34 (18)
Ni1—N1—N2—C490.13 (17)O2B—C1B—C2B—N1B2.2 (2)
C2—N1—N2—C3154.28 (16)K2—C1B—C2B—N1B105.8 (2)
Ni1—N1—N2—C329.5 (2)K4A—C1B—C2B—N1B146.49 (15)
C2—N1—N2—K3Aiii30.35 (19)O3B—C1B—C2B—K4A34.17 (17)
Ni1—N1—N2—K3Aiii153.43 (12)O2B—C1B—C2B—K4A144.27 (17)
C2—N1—N2—K3Biii35.4 (4)K2—C1B—C2B—K4A40.66 (17)
Ni1—N1—N2—K3Biii148.4 (3)O3B—C1B—C2B—K4B42.3 (3)
C5—N3—N4—C698.02 (19)O2B—C1B—C2B—K4B136.1 (3)
C3—N3—N4—C6142.21 (17)K2—C1B—C2B—K4B32.5 (3)
K2iii—N3—N4—C629.02 (19)K4A—C1B—C2B—K4B8.1 (3)
C5—N3—N4—Ni189.34 (18)N4B—N3B—C3B—N2B69.1 (2)
C3—N3—N4—Ni130.4 (2)C5B—N3B—C3B—N2B51.8 (2)
K2iii—N3—N4—Ni1143.62 (10)K2iv—N3B—C3B—N2B177.62 (12)
N1—Ni1—N4—C6173.36 (15)N1B—N2B—C3B—N3B68.8 (2)
O1—Ni1—N4—C66.73 (14)C4B—N2B—C3B—N3B52.1 (2)
N1—Ni1—N4—N30.65 (16)C5B—O5B—C4B—N2B59.4 (2)
O1—Ni1—N4—N3179.44 (15)N1B—N2B—C4B—O5B64.8 (2)
K1ii—O3—C1—O2105.7 (2)C3B—N2B—C4B—O5B55.4 (2)
K2—O3—C1—O233.8 (2)C4B—O5B—C5B—N3B58.9 (2)
K1—O3—C1—O2130.80 (17)N4B—N3B—C5B—O5B65.6 (2)
K1ii—O3—C1—C275.6 (3)C3B—N3B—C5B—O5B54.5 (2)
K2—O3—C1—C2144.95 (15)K2iv—N3B—C5B—O5B170.11 (11)
K1—O3—C1—C247.91 (18)K2iv—O6B—C6B—N4B41.0 (3)
K1ii—O3—C1—K2139.4 (2)K1iv—O6B—C6B—N4B148.43 (18)
K1—O3—C1—K297.04 (7)K4Bix—O6B—C6B—N4B128.0 (4)
K1ii—O3—C1—K1123.5 (2)K2iv—O6B—C6B—C7B140.07 (15)
K2—O3—C1—K197.04 (7)K1iv—O6B—C6B—C7B32.6 (2)
Ni1—O2—C1—O3173.77 (16)K4Bix—O6B—C6B—C7B50.9 (4)
K2—O2—C1—O332.75 (19)K1iv—O6B—C6B—K2iv107.42 (14)
Ni1—O2—C1—C27.5 (2)K4Bix—O6B—C6B—K2iv169.0 (3)
K2—O2—C1—C2146.01 (14)N3B—N4B—C6B—O6B0.7 (3)
Ni1—O2—C1—K2153.48 (10)Ni1B—N4B—C6B—O6B173.75 (18)
Ni1—O2—C1—K1110.71 (16)N3B—N4B—C6B—C7B179.74 (15)
K2—O2—C1—K142.77 (17)Ni1B—N4B—C6B—C7B7.2 (2)
K3Aiii—O4—C2—N134.1 (3)N3B—N4B—C6B—K2iv30.15 (15)
K3Biii—O4—C2—N138.5 (4)Ni1B—N4B—C6B—K2iv142.88 (10)
K1—O4—C2—N1137.41 (19)K4Aix—O7B—C7B—O1B117.66 (19)
K3Aiii—O4—C2—C1145.53 (17)K3B—O7B—C7B—O1B48.1 (4)
K3Biii—O4—C2—C1141.1 (3)K3A—O7B—C7B—O1B51.5 (3)
K1—O4—C2—C142.23 (18)K1iv—O7B—C7B—O1B151.74 (17)
K3Aiii—O4—C2—K1103.30 (14)K4Bix—O7B—C7B—O1B125.8 (4)
K3Biii—O4—C2—K198.9 (3)K4Aix—O7B—C7B—C6B61.2 (2)
K3Biii—O4—C2—K3Aiii4.4 (3)K3B—O7B—C7B—C6B133.0 (3)
K1—O4—C2—K3Aiii103.30 (14)K3A—O7B—C7B—C6B129.56 (17)
K3Aiii—O4—C2—K3Biii4.4 (3)K1iv—O7B—C7B—C6B29.4 (2)
K1—O4—C2—K3Biii98.9 (3)K4Bix—O7B—C7B—C6B53.1 (4)
N2—N1—C2—O40.1 (3)K3B—O7B—C7B—K4Aix165.7 (3)
Ni1—N1—C2—O4176.74 (17)K3A—O7B—C7B—K4Aix169.2 (2)
N2—N1—C2—C1179.80 (15)K1iv—O7B—C7B—K4Aix90.60 (11)
Ni1—N1—C2—C13.6 (2)K4Bix—O7B—C7B—K4Aix8.2 (3)
N2—N1—C2—K188.3 (2)Ni1B—O1B—C7B—O7B177.15 (17)
Ni1—N1—C2—K195.1 (2)Ni1B—O1B—C7B—C6B3.9 (2)
N2—N1—C2—K3Aiii24.43 (16)Ni1B—O1B—C7B—K4Aix123.19 (13)
Ni1—N1—C2—K3Aiii158.96 (12)O6B—C6B—C7B—O7B2.1 (3)
N2—N1—C2—K3Biii28.6 (3)N4B—C6B—C7B—O7B177.02 (18)
Ni1—N1—C2—K3Biii154.8 (3)K2iv—C6B—C7B—O7B67.7 (3)
O3—C1—C2—O41.9 (3)O6B—C6B—C7B—O1B178.91 (19)
O2—C1—C2—O4176.93 (17)N4B—C6B—C7B—O1B2.0 (2)
K2—C1—C2—O487.6 (3)K2iv—C6B—C7B—O1B113.3 (2)
K1—C1—C2—O436.38 (17)O6B—C6B—C7B—K4Aix41.5 (2)
O3—C1—C2—N1178.40 (17)N4B—C6B—C7B—K4Aix137.66 (14)
O2—C1—C2—N12.8 (2)K2iv—C6B—C7B—K4Aix107.1 (2)
Symmetry codes: (i) x1/2, y+1/2, z+1; (ii) x+1, y, z+1; (iii) x1/2, y, z+1/2; (iv) x+1/2, y, z+1/2; (v) x+3/2, y, z1/2; (vi) x, y+1/2, z+1/2; (vii) x+1/2, y+1/2, z+1; (viii) x+3/2, y, z+1/2; (ix) x, y+1/2, z1/2.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1W—H1W1···O6x0.921.942.840 (2)166
O1W—H2W1···O5Wiii0.832.613.120 (4)121
O1W—H2W1···O3Bi0.832.233.001 (2)154
O2W—H2W2···O4ii0.931.832.754 (2)171
O4WA—H2W4···O4Biii0.912.442.993 (2)119
O4WA—H2W4···N2Biii0.912.022.895 (3)161
O5W—H5WC···O6Bxi0.851.952.774 (3)162
O4WB—H3W4···O4Biii0.852.092.848 (9)149
O4WB—H4W4···O6Bxi0.882.153.024 (9)174
Symmetry codes: (i) x1/2, y+1/2, z+1; (ii) x+1, y, z+1; (iii) x1/2, y, z+1/2; (x) x+1/2, y, z+1/2; (xi) x1/2, y+1/2, z.
Values for continuous shapes measures (CShM) of the polyhedra centred by the potassium cations (only major components for the disordered parts are considered) top
ShapeCShM
K1K4A
Hexagon (D6h)30.96533.688
Pentagonal pyramid (C5v)9.92422.357
Octahedron (Oh)13.8594.985
Trigonal prism (D3h)4.69710.581
Johnson pentagonal pyramid J2 (C5v)13.91926.100
K2K3B
Octagon (D8h)32.59128.712
Heptagonal pyramid (C7v)18.31420.510
Hexagonal bipyramid (D6h)14.89113.393
Cube (Oh)14.91314.525
Square antiprism (D4d)6.80519.105
Triangular dodecahedron (D2d)4.99217.608
Johnson gyrobifastigium J26 (D2d)10.47916.378
Johnson elongated triangular bipyramid J14 (D3h)23.44118.219
Biaugmented trigonal prism J50 (C2v)6.80016.341
Biaugmented trigonal prism (C2v)5.69816.739
Snub diphenoid J84 (D2d)6.89415.895
Triakis tetrahedron (Td)15.01614.550
Elongated trigonal bipyramid (D3h)17.89313.966
 

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