Crystal structure and Hirshfeld surface analysis of poly[[bis­[μ₄-N,N′-(1,3,5-oxadiazinane-3,5-di­yl)bis(carbamoyl­methano­ato)]nickel(II)tetra­potassium] 4.8-hydrate]

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.

Key indicators

Structure: I

• 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

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]

Crystal data

[K4Ni2(C7H6N4O7)2]·4.8H2O	Dx = 2.053 Mg m^−3
Mr = 876.66	Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, Pbca	Cell parameters from 18674 reflections
a = 15.0694 (3) Å	θ = 1.0–30.0°
b = 16.9659 (3) Å	µ = 2.01 mm^−1
c = 22.1920 (4) Å	T = 100 K
V = 5673.74 (18) Å^3	Block, orange
Z = 8	0.31 × 0.26 × 0.23 mm
F(000) = 3552

Data collection

Bruker Kappa APEXII CCD diffractometer	8287 independent reflections
Radiation source: fine-focus sealed tube	7371 reflections with I > 2σ(I)
Horizontally mounted graphite crystal monochromator	Rint = 0.037
Detector resolution: 16 pixels mm^-1	θmax = 30.2°, θmin = 2.0°
φ scans and ω scans with κ offset	h = −20→21
Absorption correction: multi-scan (SADABS; Krause et al., 2015)	k = −23→19
Tmin = 0.572, Tmax = 0.653	l = −31→31
51429 measured reflections

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	Hydrogen site location: mixed
R[F^2 > 2σ(F^2)] = 0.033	H-atom parameters constrained
wR(F^2) = 0.076	w = 1/[σ^2(Fo^2) + (0.0165P)^2 + 9.9285P] where P = (Fo^2 + 2Fc^2)/3
S = 1.10	(Δ/σ)max = 0.002
8287 reflections	Δρmax = 0.81 e Å^−3
448 parameters	Δρmin = −0.69 e Å^−3

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
Ni1	0.39976 (2)	0.03560 (2)	0.25909 (2)	0.01144 (6)
K1	0.42066 (3)	0.10115 (3)	0.50619 (2)	0.01944 (9)
K2	0.62602 (3)	0.12976 (3)	0.37947 (2)	0.01642 (8)
K3A	0.6573 (3)	0.0634 (2)	0.0628 (2)	0.0156 (10)	0.46 (3)
K3B	0.6592 (3)	0.0786 (9)	0.0646 (2)	0.0447 (9)	0.54 (3)
K4A	0.81367 (4)	0.18864 (3)	0.48907 (2)	0.02787 (14)	0.9643 (15)
K4B	0.8620 (12)	0.1672 (10)	0.4887 (6)	0.02787 (14)	0.0357 (15)
O1	0.48022 (9)	0.05193 (8)	0.19539 (6)	0.0158 (3)
O2	0.48968 (8)	0.03838 (8)	0.31915 (6)	0.0147 (3)
O3	0.50728 (9)	0.01073 (9)	0.41691 (6)	0.0175 (3)
O4	0.32237 (9)	−0.00551 (9)	0.42549 (6)	0.0187 (3)
O5	0.23246 (9)	−0.10170 (8)	0.25535 (6)	0.0175 (3)
O6	0.29549 (9)	0.06429 (10)	0.09851 (6)	0.0209 (3)
O7	0.48153 (10)	0.07263 (11)	0.09625 (7)	0.0290 (4)
O1W	0.24931 (12)	0.08231 (11)	0.54478 (7)	0.0294 (4)
H1W1	0.236269	0.039493	0.568245	0.044*
H2W1	0.226969	0.122493	0.559745	0.044*
O2W	0.63486 (14)	0.13337 (10)	0.50382 (8)	0.0361 (4)
H1W2	0.624292	0.171955	0.530219	0.054*
H2W2	0.647697	0.086965	0.524420	0.054*
O3W	0.91669 (13)	0.06558 (12)	0.52097 (8)	0.0383 (4)
H1W3	0.926510	0.062280	0.482596	0.057*
H2W3	0.967921	0.084541	0.536516	0.057*
O4WA	0.60586 (13)	0.23598 (13)	0.07782 (10)	0.0309 (6)	0.805 (4)
H1W4	0.655353	0.218452	0.090399	0.046*	0.805 (4)
H2W4	0.567382	0.239687	0.109145	0.046*	0.805 (4)
O5W	0.5651 (2)	0.16499 (15)	−0.03385 (13)	0.0532 (9)	0.805 (4)
H5WC	0.546573	0.207539	−0.049704	0.080*	0.805 (4)
H5WB	0.588393	0.177329	−0.000284	0.080*	0.805 (4)
O4WB	0.5638 (6)	0.2234 (6)	0.0249 (4)	0.032 (2)	0.195 (4)
H3W4	0.531930	0.234322	0.055384	0.048*	0.195 (4)
H4W4	0.532796	0.240423	−0.006182	0.048*	0.195 (4)
N1	0.32286 (10)	0.01942 (9)	0.32277 (7)	0.0125 (3)
N2	0.22857 (10)	0.01217 (10)	0.31956 (7)	0.0129 (3)
N3	0.22075 (10)	0.02637 (10)	0.20888 (7)	0.0137 (3)
N4	0.31391 (10)	0.03568 (10)	0.19995 (7)	0.0128 (3)
C1	0.46081 (12)	0.01956 (11)	0.37164 (8)	0.0134 (3)
C2	0.35945 (12)	0.00948 (11)	0.37637 (8)	0.0131 (3)
C3	0.19564 (12)	0.05825 (11)	0.26801 (8)	0.0138 (3)
H3A	0.130103	0.060914	0.270332	0.017*
H3B	0.218626	0.112739	0.271334	0.017*
C4	0.20301 (13)	−0.07011 (12)	0.31134 (9)	0.0167 (4)
H4A	0.228229	−0.101882	0.344615	0.020*
H4B	0.137568	−0.074362	0.313553	0.020*
C5	0.19597 (13)	−0.05675 (12)	0.20682 (9)	0.0177 (4)
H5A	0.130467	−0.061003	0.208006	0.021*
H5B	0.216417	−0.079534	0.168170	0.021*
C6	0.34091 (12)	0.05407 (11)	0.14507 (8)	0.0146 (3)
C7	0.44272 (12)	0.06056 (12)	0.14422 (9)	0.0166 (4)
Ni1B	0.85260 (2)	0.23735 (2)	0.24199 (2)	0.01304 (6)
O1B	0.77709 (9)	0.22102 (9)	0.17472 (6)	0.0180 (3)
O2B	0.75916 (9)	0.23086 (8)	0.29873 (6)	0.0162 (3)
O3B	0.73206 (9)	0.26008 (9)	0.39495 (7)	0.0212 (3)
O4B	0.91522 (10)	0.28278 (10)	0.41008 (7)	0.0220 (3)
O5B	1.01572 (10)	0.37800 (8)	0.24472 (7)	0.0203 (3)
O6B	0.96972 (11)	0.21209 (10)	0.08487 (7)	0.0253 (3)
O7B	0.78613 (11)	0.19730 (10)	0.07598 (7)	0.0251 (3)
N1B	0.92407 (10)	0.25393 (10)	0.30822 (7)	0.0148 (3)
N2B	1.01790 (10)	0.26347 (10)	0.30814 (7)	0.0151 (3)
N3B	1.03515 (10)	0.25123 (10)	0.19792 (7)	0.0160 (3)
N4B	0.94292 (10)	0.23990 (10)	0.18580 (7)	0.0153 (3)
C1B	0.78284 (12)	0.25187 (11)	0.35171 (9)	0.0152 (3)
C2B	0.88312 (12)	0.26501 (11)	0.36010 (9)	0.0153 (3)
C3B	1.05635 (12)	0.21901 (12)	0.25760 (9)	0.0159 (3)
H3B1	1.121650	0.217835	0.262372	0.019*
H3B2	1.034773	0.163958	0.259596	0.019*
C4B	1.04157 (13)	0.34622 (12)	0.30124 (9)	0.0196 (4)
H4B1	1.012978	0.376994	0.333794	0.024*
H4B2	1.106608	0.351872	0.305799	0.024*
C5B	1.05732 (13)	0.33496 (12)	0.19717 (10)	0.0200 (4)
H5B1	1.122471	0.340939	0.200622	0.024*
H5B2	1.038927	0.357734	0.158040	0.024*
C6B	0.92131 (13)	0.22112 (12)	0.13005 (9)	0.0171 (4)
C7B	0.82017 (13)	0.21177 (12)	0.12558 (9)	0.0178 (4)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ni1	0.00784 (10)	0.01467 (12)	0.01179 (11)	−0.00082 (8)	−0.00019 (7)	0.00124 (8)
K1	0.0243 (2)	0.0196 (2)	0.01449 (18)	0.00216 (16)	−0.00152 (15)	−0.00092 (15)
K2	0.01387 (17)	0.0187 (2)	0.01671 (18)	−0.00075 (14)	0.00052 (14)	0.00027 (14)
K3A	0.0119 (9)	0.018 (2)	0.0172 (9)	0.0053 (6)	−0.0008 (6)	−0.0050 (9)
K3B	0.0199 (9)	0.083 (3)	0.0313 (13)	−0.0053 (16)	−0.0054 (8)	0.0187 (14)
K4A	0.0356 (3)	0.0307 (3)	0.0173 (2)	0.0017 (2)	−0.00088 (19)	−0.00179 (19)
K4B	0.0356 (3)	0.0307 (3)	0.0173 (2)	0.0017 (2)	−0.00088 (19)	−0.00179 (19)
O1	0.0110 (6)	0.0210 (7)	0.0154 (6)	−0.0016 (5)	0.0011 (5)	0.0024 (5)
O2	0.0110 (6)	0.0193 (7)	0.0138 (6)	−0.0006 (5)	−0.0022 (5)	0.0009 (5)
O3	0.0155 (6)	0.0211 (7)	0.0160 (6)	0.0007 (5)	−0.0042 (5)	0.0005 (5)
O4	0.0162 (6)	0.0268 (8)	0.0132 (6)	0.0031 (6)	0.0017 (5)	0.0019 (5)
O5	0.0177 (7)	0.0146 (7)	0.0203 (7)	−0.0005 (5)	−0.0007 (5)	0.0000 (5)
O6	0.0153 (6)	0.0338 (9)	0.0136 (6)	−0.0009 (6)	−0.0015 (5)	0.0034 (6)
O7	0.0168 (7)	0.0527 (11)	0.0176 (7)	−0.0055 (7)	0.0049 (6)	0.0025 (7)
O1W	0.0343 (9)	0.0321 (9)	0.0219 (7)	−0.0018 (7)	0.0047 (7)	−0.0029 (7)
O2W	0.0642 (13)	0.0242 (9)	0.0199 (8)	0.0043 (8)	−0.0021 (8)	0.0021 (6)
O3W	0.0388 (10)	0.0525 (12)	0.0236 (8)	0.0080 (9)	0.0036 (7)	0.0022 (8)
O4WA	0.0185 (9)	0.0401 (13)	0.0341 (12)	0.0043 (8)	0.0101 (8)	0.0022 (9)
O5W	0.073 (2)	0.0320 (14)	0.0542 (17)	−0.0034 (13)	−0.0292 (15)	0.0080 (12)
O4WB	0.022 (4)	0.039 (5)	0.035 (5)	0.010 (4)	0.003 (3)	0.012 (4)
N1	0.0084 (6)	0.0152 (8)	0.0139 (7)	0.0007 (5)	0.0009 (5)	0.0004 (6)
N2	0.0081 (6)	0.0157 (8)	0.0150 (7)	−0.0004 (5)	0.0000 (5)	0.0016 (6)
N3	0.0072 (6)	0.0181 (8)	0.0158 (7)	−0.0021 (5)	0.0002 (5)	0.0014 (6)
N4	0.0083 (6)	0.0167 (8)	0.0133 (7)	−0.0014 (5)	0.0004 (5)	0.0021 (6)
C1	0.0137 (8)	0.0108 (8)	0.0159 (8)	0.0015 (6)	−0.0011 (6)	−0.0014 (6)
C2	0.0123 (8)	0.0126 (8)	0.0143 (8)	0.0026 (6)	0.0006 (6)	0.0001 (6)
C3	0.0103 (7)	0.0153 (9)	0.0159 (8)	0.0008 (6)	0.0004 (6)	0.0022 (6)
C4	0.0146 (8)	0.0171 (9)	0.0184 (9)	−0.0031 (7)	0.0008 (7)	0.0036 (7)
C5	0.0157 (8)	0.0192 (10)	0.0183 (9)	−0.0039 (7)	−0.0008 (7)	−0.0002 (7)
C6	0.0120 (8)	0.0169 (9)	0.0151 (8)	−0.0006 (6)	−0.0002 (6)	0.0008 (7)
C7	0.0139 (8)	0.0190 (10)	0.0169 (8)	−0.0011 (7)	0.0014 (7)	0.0004 (7)
Ni1B	0.00973 (10)	0.01497 (12)	0.01442 (11)	−0.00085 (8)	−0.00058 (8)	−0.00124 (8)
O1B	0.0152 (6)	0.0210 (7)	0.0179 (6)	−0.0014 (5)	−0.0030 (5)	−0.0007 (5)
O2B	0.0114 (6)	0.0196 (7)	0.0175 (6)	−0.0014 (5)	−0.0002 (5)	−0.0011 (5)
O3B	0.0159 (6)	0.0268 (8)	0.0210 (7)	−0.0019 (6)	0.0040 (5)	−0.0030 (6)
O4B	0.0181 (7)	0.0302 (8)	0.0177 (7)	−0.0016 (6)	−0.0019 (5)	−0.0070 (6)
O5B	0.0196 (7)	0.0133 (7)	0.0280 (8)	−0.0002 (5)	0.0034 (6)	−0.0014 (6)
O6B	0.0247 (8)	0.0331 (9)	0.0180 (7)	−0.0001 (6)	0.0047 (6)	−0.0061 (6)
O7B	0.0276 (8)	0.0291 (9)	0.0186 (7)	−0.0036 (6)	−0.0072 (6)	0.0003 (6)
N1B	0.0099 (7)	0.0166 (8)	0.0178 (7)	−0.0002 (6)	−0.0007 (5)	−0.0028 (6)
N2B	0.0091 (6)	0.0160 (8)	0.0202 (8)	−0.0001 (6)	−0.0006 (6)	−0.0044 (6)
N3B	0.0118 (7)	0.0170 (8)	0.0191 (8)	−0.0014 (6)	0.0017 (6)	−0.0022 (6)
N4B	0.0122 (7)	0.0154 (8)	0.0183 (7)	−0.0016 (6)	0.0004 (6)	−0.0021 (6)
C1B	0.0144 (8)	0.0139 (9)	0.0172 (8)	−0.0006 (7)	0.0011 (6)	−0.0004 (7)
C2B	0.0136 (8)	0.0146 (9)	0.0178 (8)	−0.0006 (6)	0.0001 (6)	−0.0016 (7)
C3B	0.0109 (8)	0.0144 (9)	0.0224 (9)	0.0018 (6)	0.0005 (6)	−0.0024 (7)
C4B	0.0153 (8)	0.0188 (10)	0.0248 (10)	−0.0027 (7)	0.0010 (7)	−0.0064 (8)
C5B	0.0158 (9)	0.0186 (10)	0.0255 (10)	−0.0024 (7)	0.0047 (7)	−0.0002 (8)
C6B	0.0187 (9)	0.0143 (9)	0.0183 (9)	−0.0002 (7)	0.0008 (7)	−0.0009 (7)
C7B	0.0210 (9)	0.0131 (9)	0.0193 (9)	−0.0012 (7)	−0.0034 (7)	−0.0003 (7)

Geometric parameters (Å, º)

Ni1—N4	1.8429 (15)	K4B—O3B	3.263 (17)
Ni1—N1	1.8479 (15)	K4B—C2B	3.316 (14)
Ni1—O1	1.8830 (13)	K4B—O6B^vi	3.374 (15)
Ni1—O2	1.9012 (13)	O1—C7	1.277 (2)
K1—O4B^i	2.7086 (15)	O2—C1	1.284 (2)
K1—O1W	2.7392 (18)	O3—C1	1.234 (2)
K1—O3^ii	2.7739 (14)	O4—C2	1.251 (2)
K1—O3	2.8254 (15)	O5—C4	1.424 (2)
K1—O6B^iii	2.8588 (16)	O5—C5	1.430 (2)
K1—O4	2.9456 (15)	O6—C6	1.252 (2)
K1—O7B^iii	3.1774 (17)	O7—C7	1.232 (2)
K1—O2W	3.274 (2)	O1W—H1W1	0.9152
K1—C1	3.3464 (19)	O1W—H2W1	0.8297
K1—C2	3.4015 (19)	O2W—H1W2	0.8929
K1—K4A^i	3.9153 (7)	O2W—H2W2	0.9306
K1—K4B^i	4.030 (16)	O3W—H1W3	0.8662
K2—O3B	2.7495 (16)	O3W—H2W3	0.9048
K2—O2W	2.7634 (17)	O4WA—H1W4	0.8501
K2—O3	2.8232 (15)	O4WA—H2W4	0.9075
K2—O6^iv	2.8273 (15)	O5W—H5WC	0.8499
K2—O6B^iii	2.8505 (17)	O5W—H5WB	0.8499
K2—O2	2.9013 (14)	O4WB—H3W4	0.8501
K2—N3^iv	2.9932 (16)	O4WB—H4W4	0.8827
K2—N3B^iii	3.0121 (17)	N1—C2	1.322 (2)
K2—C1	3.1184 (19)	N1—N2	1.428 (2)
K2—O2B	3.1903 (14)	N2—C4	1.460 (2)
K2—C1B	3.2025 (19)	N2—C3	1.472 (2)
K2—C6B^iii	3.459 (2)	N3—N4	1.427 (2)
K3A—O3W^v	2.625 (4)	N3—C5	1.460 (3)
K3A—O7	2.755 (4)	N3—C3	1.469 (2)
K3A—O4^iv	2.761 (4)	N4—C6	1.321 (2)
K3A—O1W^iv	2.779 (5)	C1—C2	1.541 (2)
K3A—N2^iv	2.954 (5)	C3—H3A	0.9900
K3A—O7B	3.003 (5)	C3—H3B	0.9900
K3A—O4WA	3.047 (4)	C4—H4A	0.9900
K3A—O5W	3.082 (5)	C4—H4B	0.9900
K3A—O4WB	3.171 (9)	C5—H5A	0.9900
K3A—C2^iv	3.456 (5)	C5—H5B	0.9900
K3A—K4B^v	4.254 (16)	C6—C7	1.538 (3)
K3B—O7	2.769 (5)	Ni1B—N1B	1.8436 (16)
K3B—O1W^iv	2.783 (5)	Ni1B—N4B	1.8463 (16)
K3B—O7B	2.789 (13)	Ni1B—O2B	1.8922 (14)
K3B—O4WA	2.804 (15)	Ni1B—O1B	1.8975 (14)
K3B—O4^iv	2.851 (8)	O1B—C7B	1.279 (2)
K3B—O3W^v	2.868 (15)	O2B—C1B	1.279 (2)
K3B—O4WB	2.979 (15)	O3B—C1B	1.235 (2)
K3B—O5W	2.990 (7)	O4B—C2B	1.247 (2)
K3B—N2^iv	2.995 (6)	O5B—C4B	1.420 (3)
K3B—C2^iv	3.492 (6)	O5B—C5B	1.428 (2)
K3B—K4B^v	4.51 (2)	O6B—C6B	1.249 (2)
K4A—K4B	0.815 (18)	O7B—C7B	1.239 (2)
K4A—O3W	2.696 (2)	N1B—C2B	1.320 (2)
K4A—O3B	2.7100 (16)	N1B—N2B	1.423 (2)
K4A—O7B^vi	2.7633 (17)	N2B—C4B	1.457 (3)
K4A—O4B	2.8223 (17)	N2B—C3B	1.471 (2)
K4A—O2W	2.872 (2)	N3B—N4B	1.429 (2)
K4A—O6^iv	2.8815 (16)	N3B—C5B	1.459 (3)
K4A—C1B	3.265 (2)	N3B—C3B	1.468 (3)
K4A—C2B	3.311 (2)	N4B—C6B	1.318 (2)
K4A—C7B^vi	3.470 (2)	C1B—C2B	1.539 (3)
K4B—O3W	2.040 (17)	C3B—H3B1	0.9900
K4B—O4B	2.744 (15)	C3B—H3B2	0.9900
K4B—O6^iv	2.792 (14)	C4B—H4B1	0.9900
K4B—O7^iv	3.061 (17)	C4B—H4B2	0.9900
K4B—O4WB^iv	3.201 (19)	C5B—H5B1	0.9900
K4B—O7B^vi	3.216 (16)	C5B—H5B2	0.9900
K4B—O5W^iv	3.220 (18)	C6B—C7B	1.536 (3)
N4—Ni1—N1	96.01 (7)	O3W—K4A—C7B^vi	97.56 (5)
N4—Ni1—O1	85.25 (6)	O3B—K4A—C7B^vi	117.90 (5)
N1—Ni1—O1	178.74 (6)	O7B^vi—K4A—C7B^vi	18.91 (4)
N4—Ni1—O2	178.28 (7)	O4B—K4A—C7B^vi	104.56 (5)
N1—Ni1—O2	85.10 (6)	O2W—K4A—C7B^vi	94.93 (5)
O1—Ni1—O2	93.65 (6)	O6^iv—K4A—C7B^vi	161.44 (5)
O4B^i—K1—O1W	80.90 (5)	C1B—K4A—C7B^vi	131.24 (5)
O4B^i—K1—O3^ii	95.01 (5)	C2B—K4A—C7B^vi	123.72 (5)
O1W—K1—O3^ii	95.56 (5)	O3W—K4A—K2	112.75 (5)
O4B^i—K1—O3	152.85 (5)	O3B—K4A—K2	45.40 (3)
O1W—K1—O3	126.25 (5)	O7B^vi—K4A—K2	120.72 (4)
O3^ii—K1—O3	83.05 (4)	O4B—K4A—K2	98.76 (3)
O4B^i—K1—O6B^iii	90.81 (5)	O2W—K4A—K2	45.59 (3)
O1W—K1—O6B^iii	122.79 (5)	O6^iv—K4A—K2	46.85 (3)
O3^ii—K1—O6B^iii	141.65 (5)	C1B—K4A—K2	52.60 (3)
O3—K1—O6B^iii	75.07 (5)	C2B—K4A—K2	77.78 (3)
O4B^i—K1—O4	148.05 (5)	C7B^vi—K4A—K2	134.15 (4)
O1W—K1—O4	69.17 (4)	O3W—K4A—K1^vii	117.46 (5)
O3^ii—K1—O4	98.66 (4)	O3B—K4A—K1^vii	78.47 (4)
O3—K1—O4	58.15 (4)	O7B^vi—K4A—K1^vii	53.51 (4)
O6B^iii—K1—O4	96.01 (4)	O4B—K4A—K1^vii	43.77 (3)
O4B^i—K1—O7B^iii	90.06 (5)	O2W—K4A—K1^vii	132.91 (4)
O1W—K1—O7B^iii	68.77 (5)	O6^iv—K4A—K1^vii	136.40 (3)
O3^ii—K1—O7B^iii	162.58 (4)	C1B—K4A—K1^vii	77.55 (4)
O3—K1—O7B^iii	99.85 (4)	C2B—K4A—K1^vii	62.40 (3)
O6B^iii—K1—O7B^iii	54.64 (4)	C7B^vi—K4A—K1^vii	61.41 (4)
O4—K1—O7B^iii	69.24 (4)	K2—K4A—K1^vii	123.652 (17)
O4B^i—K1—O2W	85.38 (5)	O3W—K4B—O4B	135.2 (8)
O1W—K1—O2W	162.52 (5)	O3W—K4B—O6^iv	82.0 (5)
O3^ii—K1—O2W	74.82 (4)	O4B—K4B—O6^iv	96.4 (4)
O3—K1—O2W	67.91 (4)	O3W—K4B—O7^iv	62.4 (4)
O6B^iii—K1—O2W	67.90 (4)	O4B—K4B—O7^iv	79.1 (4)
O4—K1—O2W	126.05 (4)	O6^iv—K4B—O7^iv	57.1 (3)
O7B^iii—K1—O2W	122.28 (4)	O3W—K4B—O4WB^iv	84.3 (6)
O4B^i—K1—C1	156.68 (5)	O4B—K4B—O4WB^iv	56.6 (4)
O1W—K1—C1	113.65 (5)	O6^iv—K4B—O4WB^iv	117.5 (5)
O3^ii—K1—C1	101.25 (5)	O7^iv—K4B—O4WB^iv	62.6 (4)
O3—K1—C1	20.96 (4)	O3W—K4B—O7B^vi	122.4 (5)
O6B^iii—K1—C1	66.10 (5)	O4B—K4B—O7B^vi	88.6 (4)
O4—K1—C1	45.11 (4)	O6^iv—K4B—O7B^vi	137.4 (7)
O7B^iii—K1—C1	79.38 (4)	O7^iv—K4B—O7B^vi	162.7 (6)
O2W—K1—C1	82.91 (4)	O3W—K4B—O5W^iv	59.8 (4)
O4B^i—K1—C2	154.85 (5)	O4B—K4B—O5W^iv	85.9 (4)
O1W—K1—C2	87.46 (5)	O6^iv—K4B—O5W^iv	123.3 (6)
O3^ii—K1—C2	108.32 (4)	O7^iv—K4B—O5W^iv	68.1 (4)
O3—K1—C2	44.20 (4)	O7B^vi—K4B—O5W^iv	99.1 (4)
O6B^iii—K1—C2	76.85 (5)	O3W—K4B—O3B	150.9 (7)
O4—K1—C2	21.21 (4)	O4B—K4B—O3B	54.9 (3)
O7B^iii—K1—C2	64.89 (4)	O6^iv—K4B—O3B	69.2 (3)
O2W—K1—C2	109.27 (4)	O7^iv—K4B—O3B	102.3 (4)
C1—K1—C2	26.38 (4)	O4WB^iv—K4B—O3B	111.5 (5)
O4B^i—K1—K4A^i	46.13 (3)	O7B^vi—K4B—O3B	79.9 (4)
O1W—K1—K4A^i	73.12 (4)	O5W^iv—K4B—O3B	140.8 (5)
O3^ii—K1—K4A^i	140.17 (3)	O3W—K4B—C2B	133.3 (7)
O3—K1—K4A^i	134.72 (3)	O4B—K4B—C2B	21.17 (12)
O6B^iii—K1—K4A^i	61.69 (4)	O6^iv—K4B—C2B	75.6 (3)
O4—K1—K4A^i	111.64 (3)	O7^iv—K4B—C2B	71.1 (3)
O7B^iii—K1—K4A^i	44.36 (3)	O4WB^iv—K4B—C2B	71.3 (4)
O2W—K1—K4A^i	104.74 (3)	O7B^vi—K4B—C2B	101.2 (5)
C1—K1—K4A^i	118.37 (3)	O5W^iv—K4B—C2B	100.5 (4)
C2—K1—K4A^i	109.12 (3)	O3B—K4B—C2B	42.9 (2)
O4B^i—K1—K4B^i	42.7 (2)	O3W—K4B—O6B^vi	95.5 (5)
O1W—K1—K4B^i	84.2 (3)	O4B—K4B—O6B^vi	80.1 (4)
O3^ii—K1—K4B^i	137.4 (2)	O6^iv—K4B—O6B^vi	172.1 (7)
O3—K1—K4B^i	130.6 (2)	O7^iv—K4B—O6B^vi	115.1 (5)
O6B^iii—K1—K4B^i	55.6 (2)	O7B^vi—K4B—O6B^vi	49.9 (2)
O4—K1—K4B^i	120.4 (2)	O5W^iv—K4B—O6B^vi	49.7 (2)
O7B^iii—K1—K4B^i	51.4 (2)	O3B—K4B—O6B^vi	113.5 (5)
O2W—K1—K4B^i	93.1 (3)	C2B—K4B—O6B^vi	101.2 (4)
C1—K1—K4B^i	117.9 (2)	O3W—K4B—K1^vii	136.5 (6)
C2—K1—K4B^i	114.2 (2)	O4B—K4B—K1^vii	42.0 (2)
K4A^i—K1—K4B^i	11.7 (3)	O6^iv—K4B—K1^vii	135.1 (5)
O3B—K2—O2W	80.18 (5)	O7^iv—K4B—K1^vii	113.5 (4)
O3B—K2—O3	155.07 (4)	O7B^vi—K4B—K1^vii	50.5 (2)
O2W—K2—O3	75.67 (5)	O5W^iv—K4B—K1^vii	78.1 (3)
O3B—K2—O6^iv	76.67 (5)	O3B—K4B—K1^vii	71.2 (3)
O2W—K2—O6^iv	78.03 (5)	C2B—K4B—K1^vii	61.0 (3)
O3—K2—O6^iv	103.92 (4)	O6B^vi—K4B—K1^vii	44.33 (19)
O3B—K2—O6B^iii	92.95 (5)	C7—O1—Ni1	113.55 (12)
O2W—K2—O6B^iii	75.63 (5)	C1—O2—Ni1	112.85 (11)
O3—K2—O6B^iii	75.23 (5)	C1—O2—K2	87.38 (10)
O6^iv—K2—O6B^iii	152.98 (4)	Ni1—O2—K2	147.29 (7)
O3B—K2—O2	154.02 (4)	C1—O3—K1^ii	143.74 (13)
O2W—K2—O2	120.44 (5)	C1—O3—K2	91.90 (11)
O3—K2—O2	45.94 (4)	K1^ii—O3—K2	114.99 (5)
O6^iv—K2—O2	120.63 (4)	C1—O3—K1	104.05 (12)
O6B^iii—K2—O2	78.74 (4)	K1^ii—O3—K1	96.95 (4)
O3B—K2—N3^iv	106.02 (4)	K2—O3—K1	96.36 (5)
O2W—K2—N3^iv	130.10 (5)	C2—O4—K3A^iii	113.48 (14)
O3—K2—N3^iv	94.35 (4)	C2—O4—K3B^iii	110.5 (2)
O6^iv—K2—N3^iv	56.79 (4)	C2—O4—K1	100.39 (12)
O6B^iii—K2—N3^iv	149.67 (5)	K3A^iii—O4—K1	97.80 (11)
O2—K2—N3^iv	73.88 (4)	K3B^iii—O4—K1	94.6 (2)
O3B—K2—N3B^iii	77.60 (5)	C4—O5—C5	109.67 (15)
O2W—K2—N3B^iii	125.18 (5)	C6—O6—K4B^iii	117.5 (4)
O3—K2—N3B^iii	111.66 (4)	C6—O6—K2^iii	113.93 (12)
O6^iv—K2—N3B^iii	141.08 (5)	K4B^iii—O6—K2^iii	101.5 (4)
O6B^iii—K2—N3B^iii	56.45 (4)	C6—O6—K4A^iii	127.32 (13)
O2—K2—N3B^iii	77.33 (4)	K2^iii—O6—K4A^iii	85.11 (4)
N3^iv—K2—N3B^iii	104.14 (5)	C7—O7—K3A	132.83 (17)
O3B—K2—C1	162.38 (5)	C7—O7—K3B	133.15 (17)
O2W—K2—C1	96.17 (6)	C7—O7—K4B^iii	109.9 (3)
O3—K2—C1	23.29 (4)	K3A—O7—K4B^iii	115.4 (3)
O6^iv—K2—C1	119.69 (5)	K3B—O7—K4B^iii	113.2 (3)
O6B^iii—K2—C1	69.48 (5)	K1—O1W—K3A^iii	102.44 (11)
O2—K2—C1	24.28 (4)	K1—O1W—K3B^iii	100.96 (14)
N3^iv—K2—C1	89.59 (5)	K1—O1W—H1W1	118.2
N3B^iii—K2—C1	90.89 (5)	K3A^iii—O1W—H1W1	106.9
O3B—K2—O2B	43.31 (4)	K3B^iii—O1W—H1W1	111.9
O2W—K2—O2B	121.24 (5)	K1—O1W—H2W1	114.3
O3—K2—O2B	161.52 (4)	K3A^iii—O1W—H2W1	103.7
O6^iv—K2—O2B	74.95 (4)	K3B^iii—O1W—H2W1	99.8
O6B^iii—K2—O2B	114.34 (4)	H1W1—O1W—H2W1	109.7
O2—K2—O2B	118.26 (4)	K2—O2W—K4A	86.48 (5)
N3^iv—K2—O2B	69.34 (4)	K2—O2W—K1	87.99 (5)
N3B^iii—K2—O2B	66.28 (4)	K4A—O2W—K1	168.91 (7)
C1—K2—O2B	142.47 (4)	K2—O2W—H1W2	131.5
O3B—K2—C1B	22.33 (4)	K4A—O2W—H1W2	90.2
O2W—K2—C1B	98.18 (6)	K1—O2W—H1W2	86.3
O3—K2—C1B	170.77 (5)	K2—O2W—H2W2	118.8
O6^iv—K2—C1B	67.72 (5)	K4A—O2W—H2W2	97.9
O6B^iii—K2—C1B	110.25 (5)	K1—O2W—H2W2	93.2
O2—K2—C1B	141.22 (5)	H1W2—O2W—H2W2	109.6
N3^iv—K2—C1B	84.33 (5)	K4B—O3W—K3A^viii	131.1 (5)
N3B^iii—K2—C1B	77.48 (5)	K3A^viii—O3W—K4A	119.59 (11)
C1—K2—C1B	165.07 (5)	K4B—O3W—K3B^viii	132.7 (5)
O2B—K2—C1B	23.09 (4)	K4A—O3W—K3B^viii	121.30 (15)
O3B—K2—C6B^iii	99.54 (5)	K4B—O3W—H1W3	77.2
O2W—K2—C6B^iii	95.40 (5)	K3A^viii—O3W—H1W3	111.5
O3—K2—C6B^iii	76.89 (4)	K4A—O3W—H1W3	83.7
O6^iv—K2—C6B^iii	172.82 (5)	K3B^viii—O3W—H1W3	110.2
O6B^iii—K2—C6B^iii	20.01 (4)	K4B—O3W—H2W3	100.3
O2—K2—C6B^iii	65.14 (4)	K3A^viii—O3W—H2W3	121.6
N3^iv—K2—C6B^iii	130.38 (5)	K4A—O3W—H2W3	108.4
N3B^iii—K2—C6B^iii	41.68 (4)	K3B^viii—O3W—H2W3	121.0
C1—K2—C6B^iii	63.46 (5)	H1W3—O3W—H2W3	104.6
O2B—K2—C6B^iii	106.60 (4)	K3B—O4WA—H1W4	56.6
C1B—K2—C6B^iii	110.89 (5)	K3A—O4WA—H1W4	58.4
O3W^v—K3A—O7	74.60 (13)	K3B—O4WA—H2W4	109.2
O3W^v—K3A—O4^iv	93.60 (12)	K3A—O4WA—H2W4	108.2
O7—K3A—O4^iv	149.9 (2)	H1W4—O4WA—H2W4	109.5
O3W^v—K3A—O1W^iv	90.25 (12)	K3B—O5W—K4B^iii	103.2 (3)
O7—K3A—O1W^iv	134.80 (18)	K3B—O5W—H5WC	151.0
O4^iv—K3A—O1W^iv	71.35 (10)	K3A—O5W—H5WC	155.6
O3W^v—K3A—N2^iv	102.80 (15)	K4B^iii—O5W—H5WC	78.9
O7—K3A—N2^iv	97.36 (14)	K3A—O5W—H5WB	48.8
O4^iv—K3A—N2^iv	57.62 (10)	K4B^iii—O5W—H5WB	96.7
O1W^iv—K3A—N2^iv	127.71 (15)	H5WC—O5W—H5WB	106.8
O3W^v—K3A—O7B	159.98 (16)	K3B—O4WB—K4B^iii	103.9 (5)
O7—K3A—O7B	123.54 (12)	K3A—O4WB—K4B^iii	101.1 (4)
O4^iv—K3A—O7B	74.25 (12)	K3B—O4WB—H3W4	102.6
O1W^iv—K3A—O7B	70.95 (12)	K3A—O4WB—H3W4	103.2
N2^iv—K3A—O7B	84.34 (12)	K4B^iii—O4WB—H3W4	66.6
O3W^v—K3A—O4WA	137.03 (17)	K3B—O4WB—H4W4	139.2
O7—K3A—O4WA	70.82 (9)	K3A—O4WB—H4W4	136.3
O4^iv—K3A—O4WA	128.73 (16)	K4B^iii—O4WB—H4W4	61.3
O1W^iv—K3A—O4WA	96.31 (15)	H3W4—O4WB—H4W4	104.5
N2^iv—K3A—O4WA	106.17 (12)	C2—N1—N2	116.68 (15)
O7B—K3A—O4WA	55.03 (8)	C2—N1—Ni1	116.46 (12)
O3W^v—K3A—O5W	91.65 (14)	N2—N1—Ni1	126.77 (12)
O7—K3A—O5W	73.88 (12)	N1—N2—C4	110.56 (14)
O4^iv—K3A—O5W	135.11 (18)	N1—N2—C3	109.18 (14)
O1W^iv—K3A—O5W	64.08 (12)	C4—N2—C3	108.78 (15)
N2^iv—K3A—O5W	160.64 (13)	N1—N2—K3A^iii	107.01 (13)
O7B—K3A—O5W	86.35 (13)	C4—N2—K3A^iii	107.21 (13)
O4WA—K3A—O5W	54.85 (10)	C3—N2—K3A^iii	114.08 (12)
O3W^v—K3A—O4WB	115.5 (2)	N1—N2—K3B^iii	105.80 (15)
O7—K3A—O4WB	66.17 (18)	C4—N2—K3B^iii	112.0 (3)
O4^iv—K3A—O4WB	142.0 (2)	C3—N2—K3B^iii	110.5 (3)
O1W^iv—K3A—O4WB	84.0 (2)	N4—N3—C5	110.76 (15)
N2^iv—K3A—O4WB	130.4 (2)	N4—N3—C3	109.68 (14)
O7B—K3A—O4WB	70.46 (19)	C5—N3—C3	108.53 (15)
O3W^v—K3A—C2^iv	106.96 (13)	N4—N3—K2^iii	108.26 (10)
O7—K3A—C2^iv	139.22 (17)	C5—N3—K2^iii	115.07 (11)
O4^iv—K3A—C2^iv	19.39 (5)	C3—N3—K2^iii	104.28 (10)
O1W^iv—K3A—C2^iv	85.77 (11)	C6—N4—N3	117.21 (15)
N2^iv—K3A—C2^iv	41.94 (7)	C6—N4—Ni1	116.14 (12)
O7B—K3A—C2^iv	65.93 (10)	N3—N4—Ni1	126.28 (12)
O4WA—K3A—C2^iv	115.84 (13)	O3—C1—O2	125.22 (17)
O5W—K3A—C2^iv	144.82 (17)	O3—C1—C2	119.59 (17)
O3W^v—K3A—K4B^v	21.2 (3)	O2—C1—C2	115.18 (15)
O7—K3A—K4B^v	95.2 (3)	O3—C1—K2	64.80 (10)
O4^iv—K3A—K4B^v	73.1 (3)	O2—C1—K2	68.34 (10)
O1W^iv—K3A—K4B^v	78.9 (2)	C2—C1—K2	148.69 (12)
N2^iv—K3A—K4B^v	95.5 (2)	O3—C1—K1	54.99 (10)
O7B—K3A—K4B^v	141.0 (3)	O2—C1—K1	140.18 (13)
O4WA—K3A—K4B^v	155.3 (3)	C2—C1—K1	78.81 (10)
O5W—K3A—K4B^v	102.4 (2)	K2—C1—K1	81.17 (4)
C2^iv—K3A—K4B^v	88.2 (3)	O4—C2—N1	128.58 (17)
O3W^v—K3A—K1^iv	112.95 (11)	O4—C2—C1	121.66 (16)
O7—K3A—K1^iv	167.00 (15)	N1—C2—C1	109.76 (15)
O4^iv—K3A—K1^iv	42.72 (7)	O4—C2—K1	58.41 (10)
O1W^iv—K3A—K1^iv	38.45 (7)	N1—C2—K1	144.78 (13)
N2^iv—K3A—K1^iv	91.31 (11)	C1—C2—K1	74.82 (10)
O7B—K3A—K1^iv	47.58 (7)	O4—C2—K3A^iii	47.13 (11)
O4WA—K3A—K1^iv	97.50 (12)	N1—C2—K3A^iii	87.14 (12)
O5W—K3A—K1^iv	94.88 (13)	C1—C2—K3A^iii	150.62 (14)
C2^iv—K3A—K1^iv	50.58 (6)	K1—C2—K3A^iii	77.71 (9)
K4B^v—K3A—K1^iv	93.6 (2)	O4—C2—K3B^iii	49.9 (2)
O3W^v—K3A—H1W4	152.5	N1—C2—K3B^iii	86.22 (14)
O7—K3A—H1W4	82.7	C1—C2—K3B^iii	147.7 (2)
O4^iv—K3A—H1W4	113.6	K1—C2—K3B^iii	76.31 (12)
O1W^iv—K3A—H1W4	95.0	N3—C3—N2	114.33 (15)
N2^iv—K3A—H1W4	95.2	N3—C3—H3A	108.7
O7B—K3A—H1W4	41.2	N2—C3—H3A	108.7
O4WA—K3A—H1W4	15.6	N3—C3—H3B	108.7
O5W—K3A—H1W4	66.9	N2—C3—H3B	108.7
C2^iv—K3A—H1W4	100.3	H3A—C3—H3B	107.6
K4B^v—K3A—H1W4	169.3	O5—C4—N2	112.75 (15)
K1^iv—K3A—H1W4	86.9	O5—C4—H4A	109.0
O3W^v—K3A—H5WB	105.0	N2—C4—H4A	109.0
O7—K3A—H5WB	73.7	O5—C4—H4B	109.0
O4^iv—K3A—H5WB	136.4	N2—C4—H4B	109.0
O1W^iv—K3A—H5WB	69.6	H4A—C4—H4B	107.8
N2^iv—K3A—H5WB	147.0	O5—C5—N3	113.17 (15)
O7B—K3A—H5WB	75.4	O5—C5—H5A	108.9
O4WA—K3A—H5WB	40.9	N3—C5—H5A	108.9
O5W—K3A—H5WB	14.2	O5—C5—H5B	108.9
C2^iv—K3A—H5WB	139.3	N3—C5—H5B	108.9
K4B^v—K3A—H5WB	116.6	H5A—C5—H5B	107.8
K1^iv—K3A—H5WB	93.8	O6—C6—N4	128.70 (17)
H1W4—K3A—H5WB	52.7	O6—C6—C7	121.70 (17)
O7—K3B—O1W^iv	133.9 (2)	N4—C6—C7	109.59 (16)
O7—K3B—O7B	131.8 (5)	O6—C6—K2^iii	47.14 (10)
O1W^iv—K3B—O7B	74.2 (2)	N4—C6—K2^iii	86.88 (11)
O7—K3B—O4WA	74.4 (2)	C7—C6—K2^iii	152.63 (13)
O1W^iv—K3B—O4WA	102.1 (4)	O7—C7—O1	125.28 (18)
O7B—K3B—O4WA	60.0 (3)	O7—C7—C6	119.73 (17)
O7—K3B—O4^iv	142.7 (5)	O1—C7—C6	114.98 (16)
O1W^iv—K3B—O4^iv	69.98 (15)	N1B—Ni1B—N4B	95.98 (7)
O7B—K3B—O4^iv	76.28 (15)	N1B—Ni1B—O2B	85.01 (6)
O4WA—K3B—O4^iv	135.7 (5)	N4B—Ni1B—O2B	177.89 (7)
O7—K3B—O3W^v	70.7 (3)	N1B—Ni1B—O1B	178.86 (7)
O1W^iv—K3B—O3W^v	85.4 (3)	N4B—Ni1B—O1B	85.08 (7)
O7B—K3B—O3W^v	156.9 (3)	O2B—Ni1B—O1B	93.94 (6)
O4WA—K3B—O3W^v	137.15 (18)	C7B—O1B—Ni1B	112.61 (12)
O4^iv—K3B—O3W^v	86.7 (4)	C1B—O2B—Ni1B	112.81 (12)
O7—K3B—O4WB	68.8 (2)	C1B—O2B—K2	78.99 (10)
O1W^iv—K3B—O4WB	87.6 (3)	Ni1B—O2B—K2	150.81 (7)
O7B—K3B—O4WB	76.2 (4)	C1B—O3B—K4A	105.49 (12)
O4^iv—K3B—O4WB	148.3 (4)	C1B—O3B—K2	99.92 (12)
O3W^v—K3B—O4WB	114.3 (3)	K4A—O3B—K2	90.02 (5)
O7—K3B—O5W	75.20 (14)	C1B—O3B—K4B	93.9 (3)
O1W^iv—K3B—O5W	65.33 (14)	K2—O3B—K4B	92.3 (3)
O7B—K3B—O5W	92.1 (4)	C2B—O4B—K1^vii	142.90 (14)
O4WA—K3B—O5W	58.2 (2)	C2B—O4B—K4B	106.2 (3)
O4^iv—K3B—O5W	135.30 (19)	K1^vii—O4B—K4B	95.3 (3)
O3W^v—K3B—O5W	89.0 (2)	C2B—O4B—K4A	101.84 (12)
O7—K3B—N2^iv	96.10 (18)	K1^vii—O4B—K4A	90.10 (5)
O1W^iv—K3B—N2^iv	125.9 (2)	C4B—O5B—C5B	109.77 (15)
O7B—K3B—N2^iv	87.4 (2)	C6B—O6B—K2^iv	108.65 (13)
O4WA—K3B—N2^iv	111.6 (4)	C6B—O6B—K1^iv	119.80 (13)
O4^iv—K3B—N2^iv	56.26 (13)	K2^iv—O6B—K1^iv	95.01 (5)
O3W^v—K3B—N2^iv	96.2 (4)	C6B—O6B—K4B^ix	98.8 (3)
O5W—K3B—N2^iv	167.8 (4)	K2^iv—O6B—K4B^ix	150.5 (3)
O7—K3B—C2^iv	136.7 (3)	K1^iv—O6B—K4B^ix	80.1 (3)
O1W^iv—K3B—C2^iv	85.01 (14)	C7B—O7B—K4A^ix	114.78 (13)
O7B—K3B—C2^iv	67.41 (13)	C7B—O7B—K3B	120.48 (16)
O4WA—K3B—C2^iv	121.9 (4)	K4A^ix—O7B—K3B	123.07 (13)
O4^iv—K3B—C2^iv	19.60 (5)	C7B—O7B—K3A	120.27 (16)
O3W^v—K3B—C2^iv	100.7 (4)	K4A^ix—O7B—K3A	123.98 (10)
O5W—K3B—C2^iv	148.1 (2)	C7B—O7B—K1^iv	110.33 (13)
N2^iv—K3B—C2^iv	41.43 (8)	K4A^ix—O7B—K1^iv	82.14 (4)
O7—K3B—K1^iv	172.3 (2)	K3B—O7B—K1^iv	90.9 (2)
O1W^iv—K3B—K1^iv	39.15 (8)	K3A—O7B—K1^iv	88.18 (8)
O7B—K3B—K1^iv	48.23 (8)	C7B—O7B—K4B^ix	104.3 (3)
O4WA—K3B—K1^iv	102.6 (3)	K3B—O7B—K4B^ix	134.9 (3)
O4^iv—K3B—K1^iv	43.58 (8)	K3A—O7B—K4B^ix	135.4 (3)
O3W^v—K3B—K1^iv	108.7 (3)	K1^iv—O7B—K4B^ix	78.1 (3)
O5W—K3B—K1^iv	97.18 (18)	C2B—N1B—N2B	116.70 (16)
N2^iv—K3B—K1^iv	91.58 (11)	C2B—N1B—Ni1B	116.37 (13)
C2^iv—K3B—K1^iv	50.88 (7)	N2B—N1B—Ni1B	126.63 (12)
O7—K3B—K4B^v	89.6 (4)	N1B—N2B—C4B	110.68 (15)
O1W^iv—K3B—K4B^v	74.3 (4)	N1B—N2B—C3B	109.51 (14)
O7B—K3B—K4B^v	138.6 (3)	C4B—N2B—C3B	108.53 (15)
O4WA—K3B—K4B^v	154.1 (3)	N4B—N3B—C5B	110.58 (15)
O4^iv—K3B—K4B^v	68.1 (4)	N4B—N3B—C3B	109.35 (15)
O3W^v—K3B—K4B^v	19.4 (3)	C5B—N3B—C3B	108.84 (16)
O5W—K3B—K4B^v	98.4 (3)	N4B—N3B—K2^iv	104.06 (10)
N2^iv—K3B—K4B^v	89.9 (4)	C5B—N3B—K2^iv	123.74 (11)
C2^iv—K3B—K4B^v	83.7 (4)	C3B—N3B—K2^iv	99.25 (11)
K1^iv—K3B—K4B^v	90.6 (3)	C6B—N4B—N3B	116.71 (16)
O7—K3B—H1W4	87.3	C6B—N4B—Ni1B	116.48 (13)
O1W^iv—K3B—H1W4	101.2	N3B—N4B—Ni1B	126.38 (12)
O7B—K3B—H1W4	45.0	O3B—C1B—O2B	124.92 (18)
O4WA—K3B—H1W4	16.9	O3B—C1B—C2B	119.87 (17)
O4^iv—K3B—H1W4	119.2	O2B—C1B—C2B	115.19 (16)
O3W^v—K3B—H1W4	154.0	O3B—C1B—K2	57.75 (10)
O5W—K3B—H1W4	71.5	O2B—C1B—K2	77.92 (10)
N2^iv—K3B—H1W4	100.0	C2B—C1B—K2	142.67 (13)
C2^iv—K3B—H1W4	105.0	O3B—C1B—K4A	53.12 (10)
K1^iv—K3B—H1W4	91.2	O2B—C1B—K4A	143.73 (13)
K4B^v—K3B—H1W4	170.0	C2B—C1B—K4A	78.17 (10)
O7—K3B—H5WB	75.7	K2—C1B—K4A	73.31 (4)
O1W^iv—K3B—H5WB	71.6	O4B—C2B—N1B	128.98 (18)
O7B—K3B—H5WB	81.8	O4B—C2B—C1B	121.58 (17)
O4WA—K3B—H5WB	44.5	N1B—C2B—C1B	109.44 (16)
O4^iv—K3B—H5WB	139.6	O4B—C2B—K4A	56.53 (11)
O3W^v—K3B—H5WB	102.2	N1B—C2B—K4A	147.78 (14)
O5W—K3B—H5WB	14.0	C1B—C2B—K4A	74.78 (10)
N2^iv—K3B—H5WB	155.9	O4B—C2B—K4B	52.6 (3)
C2^iv—K3B—H5WB	145.6	N1B—C2B—K4B	136.4 (3)
K1^iv—K3B—H5WB	97.1	C1B—C2B—K4B	86.4 (3)
K4B^v—K3B—H5WB	112.4	N3B—C3B—N2B	114.29 (15)
H1W4—K3B—H5WB	57.6	N3B—C3B—H3B1	108.7
O3W—K4A—O3B	144.09 (5)	N2B—C3B—H3B1	108.7
O3W—K4A—O7B^vi	116.45 (5)	N3B—C3B—H3B2	108.7
O3B—K4A—O7B^vi	99.01 (5)	N2B—C3B—H3B2	108.7
O3W—K4A—O4B	106.80 (6)	H3B1—C3B—H3B2	107.6
O3B—K4A—O4B	60.94 (4)	O5B—C4B—N2B	113.06 (16)
O7B^vi—K4A—O4B	96.81 (5)	O5B—C4B—H4B1	109.0
O3W—K4A—O2W	104.92 (6)	N2B—C4B—H4B1	109.0
O3B—K4A—O2W	78.94 (5)	O5B—C4B—H4B2	109.0
O7B^vi—K4A—O2W	90.47 (5)	N2B—C4B—H4B2	109.0
O4B—K4A—O2W	139.85 (5)	H4B1—C4B—H4B2	107.8
O3W—K4A—O6^iv	70.42 (5)	O5B—C5B—N3B	112.88 (16)
O3B—K4A—O6^iv	76.37 (5)	O5B—C5B—H5B1	109.0
O7B^vi—K4A—O6^iv	165.73 (5)	N3B—C5B—H5B1	109.0
O4B—K4A—O6^iv	92.69 (4)	O5B—C5B—H5B2	109.0
O2W—K4A—O6^iv	75.44 (5)	N3B—C5B—H5B2	109.0
O3W—K4A—C1B	125.55 (5)	H5B1—C5B—H5B2	107.8
O3B—K4A—C1B	21.38 (4)	O6B—C6B—N4B	129.67 (19)
O7B^vi—K4A—C1B	113.59 (5)	O6B—C6B—C7B	121.00 (18)
O4B—K4A—C1B	46.47 (4)	N4B—C6B—C7B	109.32 (16)
O2W—K4A—C1B	94.60 (5)	O6B—C6B—K2^iv	51.34 (11)
O6^iv—K4A—C1B	66.25 (5)	N4B—C6B—K2^iv	86.86 (12)
O3W—K4A—C2B	110.36 (5)	C7B—C6B—K2^iv	146.62 (13)
O3B—K4A—C2B	45.75 (5)	O7B—C7B—O1B	124.88 (19)
O7B^vi—K4A—C2B	112.13 (5)	O7B—C7B—C6B	119.26 (18)
O4B—K4A—C2B	21.63 (4)	O1B—C7B—C6B	115.85 (17)
O2W—K4A—C2B	121.52 (5)	O7B—C7B—K4A^ix	46.30 (11)
O6^iv—K4A—C2B	74.55 (5)	O1B—C7B—K4A^ix	132.10 (13)
C1B—K4A—C2B	27.05 (5)	C6B—C7B—K4A^ix	91.96 (11)
O3B—K4A—K4B—O3W	−136.2 (12)	K2—C1—C2—N1	92.1 (2)
O7B^vi—K4A—K4B—O3W	97.0 (17)	K1—C1—C2—N1	143.32 (14)
O4B—K4A—K4B—O3W	−172.4 (19)	O3—C1—C2—K1	38.29 (16)
O2W—K4A—K4B—O3W	−23 (2)	O2—C1—C2—K1	−140.55 (16)
O6^iv—K4A—K4B—O3W	−75.9 (16)	K2—C1—C2—K1	−51.2 (2)
C1B—K4A—K4B—O3W	−135.8 (14)	O3—C1—C2—K3A^iii	59.6 (3)
C2B—K4A—K4B—O3W	−151.6 (18)	O2—C1—C2—K3A^iii	−119.2 (2)
C7B^vi—K4A—K4B—O3W	85.3 (17)	K2—C1—C2—K3A^iii	−29.9 (4)
K2—K4A—K4B—O3W	−80.6 (18)	K1—C1—C2—K3A^iii	21.3 (2)
K1^vii—K4A—K4B—O3W	146.5 (16)	O3—C1—C2—K3B^iii	65.7 (5)
O3W—K4A—K4B—O4B	172.4 (19)	O2—C1—C2—K3B^iii	−113.1 (4)
O3B—K4A—K4B—O4B	36.2 (10)	K2—C1—C2—K3B^iii	−23.8 (5)
O7B^vi—K4A—K4B—O4B	−90.7 (6)	K1—C1—C2—K3B^iii	27.4 (4)
O2W—K4A—K4B—O4B	149.0 (7)	N4—N3—C3—N2	−69.27 (19)
O6^iv—K4A—K4B—O4B	96.5 (4)	C5—N3—C3—N2	51.86 (19)
C1B—K4A—K4B—O4B	36.6 (5)	K2^iii—N3—C3—N2	174.98 (11)
C2B—K4A—K4B—O4B	20.78 (14)	N1—N2—C3—N3	68.50 (19)
C7B^vi—K4A—K4B—O4B	−102.3 (3)	C4—N2—C3—N3	−52.22 (19)
K2—K4A—K4B—O4B	91.7 (7)	K3A^iii—N2—C3—N3	−171.85 (14)
K1^vii—K4A—K4B—O4B	−41.1 (3)	K3B^iii—N2—C3—N3	−175.6 (3)
O3W—K4A—K4B—O6^iv	75.9 (16)	C5—O5—C4—N2	−59.19 (19)
O3B—K4A—K4B—O6^iv	−60.3 (10)	N1—N2—C4—O5	−64.63 (19)
O7B^vi—K4A—K4B—O6^iv	172.8 (3)	C3—N2—C4—O5	55.24 (19)
O4B—K4A—K4B—O6^iv	−96.5 (4)	K3A^iii—N2—C4—O5	179.06 (14)
O2W—K4A—K4B—O6^iv	52.5 (11)	K3B^iii—N2—C4—O5	177.64 (17)
C1B—K4A—K4B—O6^iv	−59.9 (5)	C4—O5—C5—N3	59.2 (2)
C2B—K4A—K4B—O6^iv	−75.7 (3)	N4—N3—C5—O5	65.7 (2)
C7B^vi—K4A—K4B—O6^iv	161.16 (10)	C3—N3—C5—O5	−54.8 (2)
K2—K4A—K4B—O6^iv	−4.8 (9)	K2^iii—N3—C5—O5	−171.15 (11)
K1^vii—K4A—K4B—O6^iv	−137.6 (2)	K4B^iii—O6—C6—N4	151.4 (4)
O3W—K4A—K4B—O7^iv	103 (3)	K2^iii—O6—C6—N4	33.0 (3)
O3B—K4A—K4B—O7^iv	−33 (3)	K4A^iii—O6—C6—N4	135.77 (18)
O7B^vi—K4A—K4B—O7^iv	−159.8 (13)	K4B^iii—O6—C6—C7	−29.9 (5)
O4B—K4A—K4B—O7^iv	−69.2 (17)	K2^iii—O6—C6—C7	−148.30 (14)
O2W—K4A—K4B—O7^iv	80 (2)	K4A^iii—O6—C6—C7	−45.5 (3)
O6^iv—K4A—K4B—O7^iv	27.3 (15)	K4B^iii—O6—C6—K2^iii	118.4 (4)
C1B—K4A—K4B—O7^iv	−33 (2)	K4A^iii—O6—C6—K2^iii	102.78 (16)
C2B—K4A—K4B—O7^iv	−48.4 (17)	N3—N4—C6—O6	−0.5 (3)
C7B^vi—K4A—K4B—O7^iv	−171.5 (16)	Ni1—N4—C6—O6	−173.90 (17)
K2—K4A—K4B—O7^iv	23 (2)	N3—N4—C6—C7	−179.34 (15)
K1^vii—K4A—K4B—O7^iv	−110.2 (18)	Ni1—N4—C6—C7	7.3 (2)
O3W—K4A—K4B—O4WB^iv	−155 (3)	N3—N4—C6—K2^iii	23.05 (15)
O3B—K4A—K4B—O4WB^iv	68.6 (18)	Ni1—N4—C6—K2^iii	−150.34 (10)
O7B^vi—K4A—K4B—O4WB^iv	−58.3 (17)	K3A—O7—C7—O1	12.2 (4)
O4B—K4A—K4B—O4WB^iv	32.4 (12)	K3B—O7—C7—O1	4.8 (6)
O2W—K4A—K4B—O4WB^iv	−178.6 (5)	K4B^iii—O7—C7—O1	−151.0 (4)
O6^iv—K4A—K4B—O4WB^iv	128.9 (15)	K3A—O7—C7—C6	−167.15 (17)
C1B—K4A—K4B—O4WB^iv	69.0 (15)	K3B—O7—C7—C6	−174.6 (5)
C2B—K4A—K4B—O4WB^iv	53.2 (13)	K4B^iii—O7—C7—C6	29.6 (4)
C7B^vi—K4A—K4B—O4WB^iv	−69.9 (14)	Ni1—O1—C7—O7	179.31 (18)
K2—K4A—K4B—O4WB^iv	124.2 (12)	Ni1—O1—C7—C6	−1.3 (2)
K1^vii—K4A—K4B—O4WB^iv	−8.7 (14)	O6—C6—C7—O7	−3.3 (3)
O3W—K4A—K4B—O7B^vi	−97.0 (17)	N4—C6—C7—O7	175.6 (2)
O3B—K4A—K4B—O7B^vi	126.8 (13)	K2^iii—C6—C7—O7	−60.2 (4)
O4B—K4A—K4B—O7B^vi	90.7 (6)	O6—C6—C7—O1	177.25 (18)
O2W—K4A—K4B—O7B^vi	−120.4 (13)	N4—C6—C7—O1	−3.8 (2)
O6^iv—K4A—K4B—O7B^vi	−172.8 (3)	K2^iii—C6—C7—O1	120.4 (2)
C1B—K4A—K4B—O7B^vi	127.3 (8)	N4B—Ni1B—O1B—C7B	6.27 (14)
C2B—K4A—K4B—O7B^vi	111.5 (5)	O2B—Ni1B—O1B—C7B	−171.86 (14)
C7B^vi—K4A—K4B—O7B^vi	−11.7 (3)	N1B—Ni1B—O2B—C1B	9.98 (14)
K2—K4A—K4B—O7B^vi	−177.6 (12)	O1B—Ni1B—O2B—C1B	−169.56 (14)
K1^vii—K4A—K4B—O7B^vi	49.6 (5)	N1B—Ni1B—O2B—K2	−99.18 (14)
O3W—K4A—K4B—O5W^iv	−110 (3)	O1B—Ni1B—O2B—K2	81.28 (13)
O3B—K4A—K4B—O5W^iv	113.5 (19)	N4B—Ni1B—N1B—C2B	172.86 (15)
O7B^vi—K4A—K4B—O5W^iv	−13 (3)	O2B—Ni1B—N1B—C2B	−9.00 (15)
O4B—K4A—K4B—O5W^iv	77 (2)	N4B—Ni1B—N1B—N2B	−0.66 (16)
O2W—K4A—K4B—O5W^iv	−133.8 (18)	O2B—Ni1B—N1B—N2B	177.48 (16)
O6^iv—K4A—K4B—O5W^iv	174 (2)	C2B—N1B—N2B—C4B	−83.8 (2)
C1B—K4A—K4B—O5W^iv	114 (2)	Ni1B—N1B—N2B—C4B	89.67 (18)
C2B—K4A—K4B—O5W^iv	98 (2)	C2B—N1B—N2B—C3B	156.56 (17)
C7B^vi—K4A—K4B—O5W^iv	−25 (2)	Ni1B—N1B—N2B—C3B	−29.9 (2)
K2—K4A—K4B—O5W^iv	169.0 (15)	C5B—N3B—N4B—C6B	98.5 (2)
K1^vii—K4A—K4B—O5W^iv	36 (2)	C3B—N3B—N4B—C6B	−141.70 (17)
O3W—K4A—K4B—O3B	136.2 (12)	K2^iv—N3B—N4B—C6B	−36.42 (18)
O7B^vi—K4A—K4B—O3B	−126.8 (13)	C5B—N3B—N4B—Ni1B	−89.30 (18)
O4B—K4A—K4B—O3B	−36.2 (10)	C3B—N3B—N4B—Ni1B	30.5 (2)
O2W—K4A—K4B—O3B	112.8 (14)	K2^iv—N3B—N4B—Ni1B	135.82 (11)
O6^iv—K4A—K4B—O3B	60.3 (10)	N1B—Ni1B—N4B—C6B	172.60 (15)
C1B—K4A—K4B—O3B	0.4 (5)	O1B—Ni1B—N4B—C6B	−7.82 (15)
C2B—K4A—K4B—O3B	−15.4 (9)	N1B—Ni1B—N4B—N3B	0.35 (17)
C7B^vi—K4A—K4B—O3B	−138.5 (10)	O1B—Ni1B—N4B—N3B	179.92 (16)
K2—K4A—K4B—O3B	55.6 (6)	K4A—O3B—C1B—O2B	134.87 (18)
K1^vii—K4A—K4B—O3B	−77.3 (8)	K2—O3B—C1B—O2B	42.1 (2)
O3W—K4A—K4B—C2B	151.6 (18)	K4B—O3B—C1B—O2B	135.1 (3)
O3B—K4A—K4B—C2B	15.4 (9)	K4A—O3B—C1B—C2B	−43.4 (2)
O7B^vi—K4A—K4B—C2B	−111.5 (5)	K2—O3B—C1B—C2B	−136.21 (15)
O4B—K4A—K4B—C2B	−20.78 (14)	K4B—O3B—C1B—C2B	−43.2 (3)
O2W—K4A—K4B—C2B	128.2 (9)	K4A—O3B—C1B—K2	92.80 (8)
O6^iv—K4A—K4B—C2B	75.7 (3)	K4B—O3B—C1B—K2	93.0 (3)
C1B—K4A—K4B—C2B	15.8 (4)	K2—O3B—C1B—K4A	−92.80 (8)
C7B^vi—K4A—K4B—C2B	−123.12 (18)	K4B—O3B—C1B—K4A	0.2 (3)
K2—K4A—K4B—C2B	71.0 (7)	Ni1B—O2B—C1B—O3B	172.58 (16)
K1^vii—K4A—K4B—C2B	−61.87 (15)	K2—O2B—C1B—O3B	−35.41 (19)
O3W—K4A—K4B—O6B^vi	−108.1 (18)	Ni1B—O2B—C1B—C2B	−9.1 (2)
O3B—K4A—K4B—O6B^vi	115.7 (7)	K2—O2B—C1B—C2B	142.93 (16)
O7B^vi—K4A—K4B—O6B^vi	−11.2 (10)	Ni1B—O2B—C1B—K2	−152.01 (9)
O4B—K4A—K4B—O6B^vi	79.5 (5)	Ni1B—O2B—C1B—K4A	−114.02 (18)
O2W—K4A—K4B—O6B^vi	−131.5 (8)	K2—O2B—C1B—K4A	37.99 (18)
O6^iv—K4A—K4B—O6B^vi	176.0 (7)	K1^vii—O4B—C2B—N1B	113.4 (2)
C1B—K4A—K4B—O6B^vi	116.1 (4)	K4B—O4B—C2B—N1B	−123.6 (4)
C2B—K4A—K4B—O6B^vi	100.3 (5)	K4A—O4B—C2B—N1B	−140.3 (2)
C7B^vi—K4A—K4B—O6B^vi	−22.8 (6)	K1^vii—O4B—C2B—C1B	−67.2 (3)
K2—K4A—K4B—O6B^vi	171.2 (3)	K4B—O4B—C2B—C1B	55.8 (4)
K1^vii—K4A—K4B—O6B^vi	38.4 (4)	K4A—O4B—C2B—C1B	39.1 (2)
O3W—K4A—K4B—K1^vii	−146.5 (16)	K1^vii—O4B—C2B—K4A	−106.3 (2)
O3B—K4A—K4B—K1^vii	77.3 (8)	K4B—O4B—C2B—K4A	16.7 (4)
O7B^vi—K4A—K4B—K1^vii	−49.6 (5)	K1^vii—O4B—C2B—K4B	−123.0 (5)
O4B—K4A—K4B—K1^vii	41.1 (3)	K4A—O4B—C2B—K4B	−16.7 (4)
O2W—K4A—K4B—K1^vii	−170.0 (10)	N2B—N1B—C2B—O4B	−0.2 (3)
O6^iv—K4A—K4B—K1^vii	137.6 (2)	Ni1B—N1B—C2B—O4B	−174.38 (18)
C1B—K4A—K4B—K1^vii	77.7 (3)	N2B—N1B—C2B—C1B	−179.70 (15)
C2B—K4A—K4B—K1^vii	61.87 (15)	Ni1B—N1B—C2B—C1B	6.1 (2)
C7B^vi—K4A—K4B—K1^vii	−61.3 (2)	N2B—N1B—C2B—K4A	−87.5 (3)
K2—K4A—K4B—K1^vii	132.8 (7)	Ni1B—N1B—C2B—K4A	98.3 (2)
N4—Ni1—O1—C7	4.19 (14)	N2B—N1B—C2B—K4B	−73.8 (5)
O2—Ni1—O1—C7	−174.48 (14)	Ni1B—N1B—C2B—K4B	112.1 (4)
N4—Ni1—N1—C2	175.16 (14)	O3B—C1B—C2B—O4B	1.1 (3)
O2—Ni1—N1—C2	−6.16 (14)	O2B—C1B—C2B—O4B	−177.33 (18)
N4—Ni1—N1—N2	−1.06 (16)	K2—C1B—C2B—O4B	−73.7 (3)
O2—Ni1—N1—N2	177.62 (15)	K4A—C1B—C2B—O4B	−33.06 (18)
C2—N1—N2—C4	−86.08 (19)	O3B—C1B—C2B—N1B	−179.34 (18)
Ni1—N1—N2—C4	90.13 (17)	O2B—C1B—C2B—N1B	2.2 (2)
C2—N1—N2—C3	154.28 (16)	K2—C1B—C2B—N1B	105.8 (2)
Ni1—N1—N2—C3	−29.5 (2)	K4A—C1B—C2B—N1B	146.49 (15)
C2—N1—N2—K3A^iii	30.35 (19)	O3B—C1B—C2B—K4A	34.17 (17)
Ni1—N1—N2—K3A^iii	−153.43 (12)	O2B—C1B—C2B—K4A	−144.27 (17)
C2—N1—N2—K3B^iii	35.4 (4)	K2—C1B—C2B—K4A	−40.66 (17)
Ni1—N1—N2—K3B^iii	−148.4 (3)	O3B—C1B—C2B—K4B	42.3 (3)
C5—N3—N4—C6	98.02 (19)	O2B—C1B—C2B—K4B	−136.1 (3)
C3—N3—N4—C6	−142.21 (17)	K2—C1B—C2B—K4B	−32.5 (3)
K2^iii—N3—N4—C6	−29.02 (19)	K4A—C1B—C2B—K4B	8.1 (3)
C5—N3—N4—Ni1	−89.34 (18)	N4B—N3B—C3B—N2B	−69.1 (2)
C3—N3—N4—Ni1	30.4 (2)	C5B—N3B—C3B—N2B	51.8 (2)
K2^iii—N3—N4—Ni1	143.62 (10)	K2^iv—N3B—C3B—N2B	−177.62 (12)
N1—Ni1—N4—C6	173.36 (15)	N1B—N2B—C3B—N3B	68.8 (2)
O1—Ni1—N4—C6	−6.73 (14)	C4B—N2B—C3B—N3B	−52.1 (2)
N1—Ni1—N4—N3	0.65 (16)	C5B—O5B—C4B—N2B	−59.4 (2)
O1—Ni1—N4—N3	−179.44 (15)	N1B—N2B—C4B—O5B	−64.8 (2)
K1^ii—O3—C1—O2	−105.7 (2)	C3B—N2B—C4B—O5B	55.4 (2)
K2—O3—C1—O2	33.8 (2)	C4B—O5B—C5B—N3B	58.9 (2)
K1—O3—C1—O2	130.80 (17)	N4B—N3B—C5B—O5B	65.6 (2)
K1^ii—O3—C1—C2	75.6 (3)	C3B—N3B—C5B—O5B	−54.5 (2)
K2—O3—C1—C2	−144.95 (15)	K2^iv—N3B—C5B—O5B	−170.11 (11)
K1—O3—C1—C2	−47.91 (18)	K2^iv—O6B—C6B—N4B	41.0 (3)
K1^ii—O3—C1—K2	−139.4 (2)	K1^iv—O6B—C6B—N4B	148.43 (18)
K1—O3—C1—K2	97.04 (7)	K4B^ix—O6B—C6B—N4B	−128.0 (4)
K1^ii—O3—C1—K1	123.5 (2)	K2^iv—O6B—C6B—C7B	−140.07 (15)
K2—O3—C1—K1	−97.04 (7)	K1^iv—O6B—C6B—C7B	−32.6 (2)
Ni1—O2—C1—O3	173.77 (16)	K4B^ix—O6B—C6B—C7B	50.9 (4)
K2—O2—C1—O3	−32.75 (19)	K1^iv—O6B—C6B—K2^iv	107.42 (14)
Ni1—O2—C1—C2	−7.5 (2)	K4B^ix—O6B—C6B—K2^iv	−169.0 (3)
K2—O2—C1—C2	146.01 (14)	N3B—N4B—C6B—O6B	−0.7 (3)
Ni1—O2—C1—K2	−153.48 (10)	Ni1B—N4B—C6B—O6B	−173.75 (18)
Ni1—O2—C1—K1	−110.71 (16)	N3B—N4B—C6B—C7B	−179.74 (15)
K2—O2—C1—K1	42.77 (17)	Ni1B—N4B—C6B—C7B	7.2 (2)
K3A^iii—O4—C2—N1	−34.1 (3)	N3B—N4B—C6B—K2^iv	30.15 (15)
K3B^iii—O4—C2—N1	−38.5 (4)	Ni1B—N4B—C6B—K2^iv	−142.88 (10)
K1—O4—C2—N1	−137.41 (19)	K4A^ix—O7B—C7B—O1B	117.66 (19)
K3A^iii—O4—C2—C1	145.53 (17)	K3B—O7B—C7B—O1B	−48.1 (4)
K3B^iii—O4—C2—C1	141.1 (3)	K3A—O7B—C7B—O1B	−51.5 (3)
K1—O4—C2—C1	42.23 (18)	K1^iv—O7B—C7B—O1B	−151.74 (17)
K3A^iii—O4—C2—K1	103.30 (14)	K4B^ix—O7B—C7B—O1B	125.8 (4)
K3B^iii—O4—C2—K1	98.9 (3)	K4A^ix—O7B—C7B—C6B	−61.2 (2)
K3B^iii—O4—C2—K3A^iii	−4.4 (3)	K3B—O7B—C7B—C6B	133.0 (3)
K1—O4—C2—K3A^iii	−103.30 (14)	K3A—O7B—C7B—C6B	129.56 (17)
K3A^iii—O4—C2—K3B^iii	4.4 (3)	K1^iv—O7B—C7B—C6B	29.4 (2)
K1—O4—C2—K3B^iii	−98.9 (3)	K4B^ix—O7B—C7B—C6B	−53.1 (4)
N2—N1—C2—O4	−0.1 (3)	K3B—O7B—C7B—K4A^ix	−165.7 (3)
Ni1—N1—C2—O4	−176.74 (17)	K3A—O7B—C7B—K4A^ix	−169.2 (2)
N2—N1—C2—C1	−179.80 (15)	K1^iv—O7B—C7B—K4A^ix	90.60 (11)
Ni1—N1—C2—C1	3.6 (2)	K4B^ix—O7B—C7B—K4A^ix	8.2 (3)
N2—N1—C2—K1	−88.3 (2)	Ni1B—O1B—C7B—O7B	177.15 (17)
Ni1—N1—C2—K1	95.1 (2)	Ni1B—O1B—C7B—C6B	−3.9 (2)
N2—N1—C2—K3A^iii	−24.43 (16)	Ni1B—O1B—C7B—K4A^ix	−123.19 (13)
Ni1—N1—C2—K3A^iii	158.96 (12)	O6B—C6B—C7B—O7B	−2.1 (3)
N2—N1—C2—K3B^iii	−28.6 (3)	N4B—C6B—C7B—O7B	177.02 (18)
Ni1—N1—C2—K3B^iii	154.8 (3)	K2^iv—C6B—C7B—O7B	−67.7 (3)
O3—C1—C2—O4	1.9 (3)	O6B—C6B—C7B—O1B	178.91 (19)
O2—C1—C2—O4	−176.93 (17)	N4B—C6B—C7B—O1B	−2.0 (2)
K2—C1—C2—O4	−87.6 (3)	K2^iv—C6B—C7B—O1B	113.3 (2)
K1—C1—C2—O4	−36.38 (17)	O6B—C6B—C7B—K4A^ix	−41.5 (2)
O3—C1—C2—N1	−178.40 (17)	N4B—C6B—C7B—K4A^ix	137.66 (14)
O2—C1—C2—N1	2.8 (2)	K2^iv—C6B—C7B—K4A^ix	−107.1 (2)

Symmetry codes: (i) x−1/2, −y+1/2, −z+1; (ii) −x+1, −y, −z+1; (iii) x−1/2, y, −z+1/2; (iv) x+1/2, y, −z+1/2; (v) −x+3/2, −y, z−1/2; (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, z−1/2.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H1W1···O6^x	0.92	1.94	2.840 (2)	166
O1W—H2W1···O5W^iii	0.83	2.61	3.120 (4)	121
O1W—H2W1···O3B^i	0.83	2.23	3.001 (2)	154
O2W—H2W2···O4^ii	0.93	1.83	2.754 (2)	171
O4WA—H2W4···O4B^iii	0.91	2.44	2.993 (2)	119
O4WA—H2W4···N2B^iii	0.91	2.02	2.895 (3)	161
O5W—H5WC···O6B^xi	0.85	1.95	2.774 (3)	162
O4WB—H3W4···O4B^iii	0.85	2.09	2.848 (9)	149
O4WB—H4W4···O6B^xi	0.88	2.15	3.024 (9)	174

Symmetry codes: (i) x−1/2, −y+1/2, −z+1; (ii) −x+1, −y, −z+1; (iii) x−1/2, y, −z+1/2; (x) −x+1/2, −y, z+1/2; (xi) x−1/2, −y+1/2, −z.