An Na–O–Zn–O–Zn bridging complex of Cl-HXTA, where Cl-HXTA is 2,6-bis{[bis­(carboxyl­ato­methyl)­amino]­methyl}-4-chloro­phenolate

In the structure of hepta­aqua-1κ³O,2κ²O,3κ²O-(μ₃-2,6-bis{[bis­(carboxyl­ato­methyl)­amino]­methyl}-4-chloro­phenol­ato-1κO;2κ⁴O,O′,N,O¹;3κ⁴O¹,N′,O′′,O′′′)­dizinc(II)­sodium(I) pentahydrate, [NaZn₂(C₁₆H₁₄ClN₂O₉)(H₂O)₇]·5H₂O or [Zn₂(Cl-HXTA)(H₂O)₄{Na(H₂O)₃}]·5H₂O, the trinuclear complex unit consists of two distorted ZnNO₅ octahedra bridged by a phenolate O atom and an NaO₄ tetrahedron linked to one of the Zn octahedra by a carboxyl­ate O atom.

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean [sigma](C-C) = 0.014 Å
• R factor = 0.097
• wR factor = 0.199
• Data-to-parameter ratio = 13.2

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT213_ALERT_2_B Atom C4      has ADP max/min Ratio .............       4.10 oblate
PLAT420_ALERT_2_B D-H Without Acceptor       O10    -   H25    ...          ?

Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.96
PLAT213_ALERT_2_C Atom C16     has ADP max/min Ratio .............       3.10 oblate
PLAT220_ALERT_2_C Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       2.71 Ratio
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         14

   0 ALERT level A = In general: serious problem
   2 ALERT level B = Potentially serious problem
   4 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   4 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion

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Computing details

Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2000); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2000); program(s) used to refine structure: SHELXL97 (Sheldrick, 2000); molecular graphics: SHELXTL/PC (Sheldrick, 1999); software used to prepare material for publication: SHELXTL/PC.

heptaaqua-1κ³O,2κ²O,3κ²O-(µ₃-2,6- bis{[bis(carboxylatomethyl)amino]methyl}-4-chlorophenolato- 1κO;2κ⁴O,O',N,O¹;3κ⁴O¹,N',O'',O''')dizinc(II)sodium(I) pentahydrate

Crystal data

[NaZn2(C16H14ClN2O9)(H2O)7]·5H2O	Z = 2
Mr = 783.66	F(000) = 808
Triclinic, P1	Dx = 1.714 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 10.281 (9) Å	Cell parameters from 1639 reflections
b = 11.733 (10) Å	θ = 2.6–22.5°
c = 13.974 (12) Å	µ = 1.77 mm^−1
α = 95.781 (11)°	T = 293 K
β = 109.593 (11)°	Block, colorless
γ = 103.043 (11)°	0.18 × 0.16 × 0.14 mm
V = 1518 (2) Å^3

Data collection

SMART 1K CCD area-detector diffractometer	5128 independent reflections
Radiation source: fine-focus sealed tube	3503 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.064
φ and ω scans	θmax = 25.0°, θmin = 1.8°
Absorption correction: multi-scan (SADABS; Sheldrick, 2000)	h = −7→12
Tmin = 0.741, Tmax = 0.790	k = −13→13
7201 measured reflections	l = −16→16

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.097	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.199	H-atom parameters constrained
S = 1.08	w = 1/[σ^2(Fo^2) + (0.0815P)^2 + 1.639P] where P = (Fo^2 + 2Fc^2)/3
5128 reflections	(Δ/σ)max < 0.001
388 parameters	Δρmax = 1.09 e Å^−3
6 restraints	Δρmin = −0.91 e Å^−3

Special details

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

Least-squares planes (x,y,z in crystal coordinates) and deviations from them (* indicates atom used to define plane)

5.1412(0.0209) x - 11.1958(0.0123) y - 0.9856(0.0365) z = 1.3139(0.0339)

* 0.0000 (0.0001) O3 * 0.0000 (0.0001) O7W * 0.0000 (0.0000) O6W -0.2036 (0.0061) Na1 - 2.5569 (0.0086) O5W 3.6484 (0.0067) Cl1_$11

Rms deviation of fitted atoms = 0.0000

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

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

	x	y	z	Uiso*/Ueq
Zn1	0.93145 (11)	0.27431 (9)	0.74402 (8)	0.0322 (3)
N1	0.7503 (8)	0.2935 (7)	0.6224 (6)	0.0348 (19)
O1	0.8626 (6)	0.0913 (5)	0.7060 (4)	0.0265 (13)
O2	0.9904 (8)	0.3482 (6)	0.4836 (6)	0.0492 (19)
O3	1.0226 (6)	0.2963 (5)	0.6355 (5)	0.0350 (15)
O4	0.6476 (9)	0.4009 (7)	0.8299 (6)	0.064 (2)
O5	0.7997 (7)	0.2946 (6)	0.8255 (5)	0.0395 (16)
O1W	1.1057 (7)	0.2704 (5)	0.8656 (6)	0.0520 (19)
H21	1.1151	0.1981	0.8734	0.062*
H22	1.1948	0.3134	0.8797	0.062*
O2W	1.0177 (8)	0.4740 (6)	0.7941 (6)	0.054 (2)
H23	1.0504	0.5202	0.8555	0.064*
H24	0.9895	0.5211	0.7504	0.064*
Zn2	0.85071 (11)	−0.03614 (8)	0.79513 (8)	0.0279 (3)
N2	0.9478 (7)	−0.1405 (6)	0.7191 (5)	0.0245 (16)
O6	0.5873 (7)	−0.3291 (6)	0.5790 (5)	0.0484 (19)
O7	0.6672 (7)	−0.1588 (5)	0.6924 (5)	0.0379 (16)
O8	1.2720 (6)	−0.0315 (6)	0.9462 (5)	0.0404 (16)
O9	1.0784 (6)	0.0328 (5)	0.8896 (5)	0.0348 (15)
O3W	0.7666 (9)	0.0673 (6)	0.8700 (6)	0.056 (2)
H31	0.7660	0.0695	0.9334	0.068*
H32	0.7294	0.1259	0.8494	0.068*
O4W	0.8530 (8)	−0.1481 (5)	0.9074 (5)	0.0479 (19)
H41	0.8659	−0.1193	0.9716	0.057*
H42	0.8183	−0.2255	0.9004	0.057*
Na1	1.2525 (5)	0.4167 (4)	0.6741 (4)	0.0653 (13)
O5W	1.1735 (8)	0.5893 (6)	0.6883 (6)	0.054 (2)
H51	1.1271	0.5923	0.6235	0.065*
H52	1.2532	0.6476	0.7079	0.065*
O6W	1.3838 (7)	0.4671 (6)	0.5791 (6)	0.055 (2)
H61	1.4450	0.5398	0.5962	0.066*
H62	1.3852	0.4383	0.5186	0.066*
O7W	1.3412 (8)	0.4233 (7)	0.8549 (7)	0.072 (2)
H71	1.4209	0.4022	0.8646	0.087*
H72	1.3716	0.5008	0.8804	0.087*
Cl1	0.6300 (3)	−0.1211 (3)	0.2648 (2)	0.0638 (9)
C1	0.7011 (10)	−0.0569 (9)	0.3971 (8)	0.040 (2)
C2	0.6489 (10)	0.0331 (8)	0.4302 (7)	0.035 (2)
H2	0.5799	0.0601	0.3832	0.042*
C3	0.7029 (9)	0.0812 (7)	0.5350 (7)	0.029 (2)
C4	0.8119 (9)	0.0448 (7)	0.6049 (7)	0.026 (2)
C5	0.8644 (9)	−0.0444 (8)	0.5671 (7)	0.030 (2)
C6	0.8072 (9)	−0.0940 (8)	0.4632 (7)	0.035 (2)
H6	0.8412	−0.1529	0.4381	0.042*
C7	0.6447 (9)	0.1749 (8)	0.5760 (7)	0.035 (2)
H7A	0.5638	0.1841	0.5197	0.042*
H7B	0.6092	0.1466	0.6279	0.042*
C8	0.8033 (10)	0.3458 (9)	0.5461 (7)	0.036 (2)
H8A	0.8118	0.4306	0.5564	0.043*
H8B	0.7341	0.3097	0.4769	0.043*
C9	0.9497 (10)	0.3270 (8)	0.5553 (8)	0.039 (2)
C10	0.6865 (10)	0.3686 (8)	0.6745 (8)	0.038 (2)
H10A	0.5843	0.3497	0.6349	0.045*
H10B	0.7288	0.4517	0.6756	0.045*
C11	0.7092 (11)	0.3513 (8)	0.7841 (8)	0.037 (2)
C12	0.9868 (9)	−0.0776 (8)	0.6426 (7)	0.031 (2)
H12A	1.0230	−0.1279	0.6043	0.037*
H12B	1.0639	−0.0057	0.6789	0.037*
C13	0.8380 (9)	−0.2565 (8)	0.6668 (7)	0.036 (2)
H13A	0.8549	−0.3148	0.7107	0.043*
H13B	0.8479	−0.2845	0.6026	0.043*
C14	0.6831 (10)	−0.2467 (8)	0.6431 (8)	0.037 (2)
C15	1.0778 (10)	−0.1519 (8)	0.7975 (7)	0.035 (2)
H15A	1.1451	−0.1636	0.7652	0.042*
H15B	1.0535	−0.2214	0.8269	0.042*
C16	1.1493 (9)	−0.0417 (8)	0.8840 (7)	0.030 (2)
O8W	0.4353 (9)	0.7481 (8)	0.7544 (7)	0.078 (3)
H81	0.4673	0.7263	0.7044	0.093*
H82	0.4957	0.8230	0.7792	0.093*
O9W	0.4732 (8)	0.8465 (7)	0.9508 (6)	0.063 (2)
H91	0.5624	0.8882	0.9904	0.076*
H92	0.4219	0.8964	0.9539	0.076*
O10	1.0147 (11)	0.6298 (9)	0.9567 (6)	0.090 (3)
H25	0.9228	0.5896	0.9337	0.108*
H26	1.0471	0.6222	1.0222	0.108*
O11	0.5988 (14)	0.3757 (9)	0.0027 (8)	0.119 (4)
H27	0.6376	0.3935	−0.0434	0.142*
H28	0.6557	0.3386	0.0419	0.142*
O12	0.6624 (10)	0.6382 (7)	0.8520 (9)	0.095 (3)
H33	0.5786	0.6456	0.8540	0.114*
H34	0.6533	0.5613	0.8496	0.114*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Zn1	0.0332 (7)	0.0283 (6)	0.0396 (7)	0.0069 (5)	0.0191 (5)	0.0097 (4)
N1	0.035 (5)	0.039 (4)	0.046 (5)	0.015 (4)	0.028 (4)	0.017 (4)
O1	0.033 (4)	0.022 (3)	0.029 (3)	0.005 (3)	0.018 (3)	0.006 (2)
O2	0.052 (5)	0.067 (5)	0.053 (5)	0.024 (4)	0.040 (4)	0.025 (4)
O3	0.023 (3)	0.039 (4)	0.042 (4)	0.007 (3)	0.012 (3)	0.006 (3)
O4	0.094 (6)	0.068 (5)	0.083 (6)	0.054 (5)	0.072 (5)	0.031 (4)
O5	0.054 (4)	0.042 (4)	0.040 (4)	0.020 (3)	0.033 (4)	0.011 (3)
O1W	0.049 (4)	0.025 (3)	0.073 (5)	−0.001 (3)	0.015 (4)	0.020 (3)
O2W	0.068 (5)	0.033 (4)	0.062 (5)	0.000 (3)	0.038 (4)	0.004 (3)
Zn2	0.0263 (6)	0.0273 (6)	0.0355 (7)	0.0063 (4)	0.0188 (5)	0.0071 (4)
N2	0.023 (4)	0.032 (4)	0.022 (4)	0.006 (3)	0.014 (3)	0.006 (3)
O6	0.035 (4)	0.047 (4)	0.049 (5)	−0.007 (3)	0.015 (4)	−0.010 (3)
O7	0.034 (4)	0.031 (3)	0.046 (4)	−0.001 (3)	0.021 (3)	−0.001 (3)
O8	0.023 (4)	0.056 (4)	0.044 (4)	0.011 (3)	0.015 (3)	0.007 (3)
O9	0.029 (4)	0.038 (4)	0.035 (4)	0.007 (3)	0.011 (3)	0.002 (3)
O3W	0.103 (6)	0.053 (4)	0.064 (5)	0.051 (4)	0.068 (5)	0.033 (4)
O4W	0.082 (6)	0.033 (4)	0.039 (4)	0.010 (3)	0.036 (4)	0.014 (3)
Na1	0.051 (3)	0.055 (3)	0.094 (4)	0.002 (2)	0.044 (3)	0.005 (2)
O5W	0.052 (5)	0.049 (4)	0.063 (5)	−0.001 (4)	0.031 (4)	0.013 (4)
O6W	0.047 (5)	0.046 (4)	0.075 (5)	0.004 (3)	0.037 (4)	0.001 (4)
O7W	0.047 (5)	0.050 (5)	0.104 (7)	0.007 (4)	0.011 (5)	0.020 (4)
Cl1	0.0517 (19)	0.087 (2)	0.0345 (16)	0.0028 (16)	0.0105 (14)	−0.0087 (14)
C1	0.026 (6)	0.047 (6)	0.047 (6)	−0.002 (5)	0.023 (5)	0.007 (5)
C2	0.026 (5)	0.044 (6)	0.036 (6)	0.009 (4)	0.010 (5)	0.019 (4)
C3	0.020 (5)	0.030 (5)	0.045 (6)	0.000 (4)	0.023 (5)	0.013 (4)
C4	0.018 (4)	0.031 (4)	0.031 (5)	−0.004 (3)	0.016 (4)	0.015 (3)
C5	0.020 (5)	0.040 (5)	0.027 (5)	−0.003 (4)	0.012 (4)	0.008 (4)
C6	0.018 (5)	0.044 (6)	0.047 (6)	0.002 (4)	0.023 (5)	0.000 (4)
C7	0.026 (5)	0.038 (5)	0.039 (6)	0.007 (4)	0.011 (5)	0.011 (4)
C8	0.034 (6)	0.043 (6)	0.038 (6)	0.012 (4)	0.017 (5)	0.015 (4)
C9	0.035 (6)	0.037 (5)	0.044 (7)	0.010 (5)	0.016 (5)	−0.001 (4)
C10	0.034 (6)	0.036 (5)	0.065 (7)	0.016 (4)	0.039 (6)	0.020 (5)
C11	0.043 (6)	0.030 (5)	0.052 (7)	0.010 (5)	0.036 (6)	0.012 (4)
C12	0.026 (5)	0.041 (5)	0.030 (5)	0.009 (4)	0.017 (4)	0.008 (4)
C13	0.036 (6)	0.029 (5)	0.041 (6)	0.009 (4)	0.012 (5)	0.008 (4)
C14	0.029 (6)	0.033 (5)	0.058 (7)	0.009 (4)	0.026 (5)	0.017 (5)
C15	0.039 (6)	0.036 (5)	0.041 (6)	0.013 (4)	0.027 (5)	0.009 (4)
C16	0.018 (5)	0.042 (5)	0.040 (6)	0.007 (4)	0.022 (5)	0.020 (4)
O8W	0.064 (6)	0.087 (6)	0.091 (7)	−0.002 (5)	0.056 (5)	0.006 (5)
O9W	0.039 (4)	0.058 (5)	0.087 (6)	0.011 (4)	0.022 (4)	0.002 (4)
O10	0.116 (8)	0.110 (8)	0.059 (6)	0.054 (6)	0.037 (6)	0.010 (5)
O11	0.190 (12)	0.081 (7)	0.108 (9)	0.016 (7)	0.096 (9)	0.029 (6)
O12	0.073 (6)	0.039 (5)	0.153 (9)	0.002 (4)	0.028 (6)	0.015 (5)

Geometric parameters (Å, º)

Zn1—O1W	2.027 (7)	O5W—H52	0.8792
Zn1—O3	2.041 (6)	O6W—H61	0.8924
Zn1—O1	2.055 (6)	O6W—H62	0.8843
Zn1—O5	2.077 (6)	O7W—H71	0.8803
Zn1—N1	2.133 (8)	O7W—H72	0.8849
Zn1—O2W	2.254 (7)	Cl1—C1	1.757 (10)
Zn1—Zn2	3.745 (3)	C1—C6	1.360 (13)
Zn1—Na1	3.827 (5)	C1—C2	1.393 (13)
N1—C8	1.477 (11)	C2—C3	1.385 (12)
N1—C10	1.478 (11)	C2—H2	0.9300
N1—C7	1.483 (11)	C3—C4	1.400 (12)
O1—C4	1.337 (10)	C3—C7	1.515 (12)
O1—Zn2	2.049 (6)	C4—C5	1.414 (12)
O2—C9	1.235 (12)	C5—C6	1.377 (12)
O3—C9	1.260 (11)	C5—C12	1.504 (12)
O3—Na1	2.315 (7)	C6—H6	0.9300
O4—C11	1.230 (10)	C7—H7A	0.9700
O5—C11	1.280 (11)	C7—H7B	0.9700
O1W—H21	0.8889	C8—C9	1.535 (13)
O1W—H22	0.8851	C8—H8A	0.9700
O2W—H23	0.8797	C8—H8B	0.9700
O2W—H24	0.8855	C10—C11	1.512 (13)
Zn2—O3W	2.035 (6)	C10—H10A	0.9700
Zn2—O7	2.058 (6)	C10—H10B	0.9700
Zn2—O4W	2.142 (6)	C12—H12A	0.9700
Zn2—N2	2.151 (7)	C12—H12B	0.9700
Zn2—O9	2.176 (6)	C13—C14	1.548 (12)
Zn2—Na1	6.689 (6)	C13—H13A	0.9700
N2—C15	1.460 (11)	C13—H13B	0.9700
N2—C12	1.469 (10)	C15—C16	1.527 (12)
N2—C13	1.488 (10)	C15—H15A	0.9700
O6—C14	1.230 (11)	C15—H15B	0.9700
O7—C14	1.254 (11)	O8W—H81	0.9049
O8—C16	1.240 (10)	O8W—H82	0.9087
O9—C16	1.270 (10)	O9W—H91	0.8875
O3W—H31	0.8864	O9W—H92	0.8787
O3W—H32	0.8869	O10—H25	0.8848
O4W—H41	0.8815	O10—H26	0.8843
O4W—H42	0.8802	O11—H27	0.8831
Na1—O6W	2.220 (8)	O11—H28	0.8831
Na1—O5W	2.361 (9)	O12—H33	0.8938
Na1—O7W	2.368 (10)	O12—H34	0.8827
O5W—H51	0.8794
O1W—Zn1—O3	99.4 (3)	Na1—O7W—H71	102.0
O1W—Zn1—O1	91.7 (2)	Na1—O7W—H72	102.6
O3—Zn1—O1	95.8 (2)	H71—O7W—H72	103.9
O1W—Zn1—O5	97.7 (3)	C6—C1—C2	122.3 (9)
O3—Zn1—O5	158.6 (3)	C6—C1—Cl1	119.3 (8)
O1—Zn1—O5	96.6 (2)	C2—C1—Cl1	118.4 (8)
O1W—Zn1—N1	175.1 (3)	C3—C2—C1	118.0 (9)
O3—Zn1—N1	81.9 (3)	C3—C2—H2	121.0
O1—Zn1—N1	92.9 (3)	C1—C2—H2	121.0
O5—Zn1—N1	80.1 (3)	C2—C3—C4	121.0 (8)
O1W—Zn1—O2W	84.9 (3)	C2—C3—C7	120.3 (8)
O3—Zn1—O2W	85.0 (2)	C4—C3—C7	118.7 (8)
O1—Zn1—O2W	176.6 (3)	O1—C4—C3	120.4 (8)
O5—Zn1—O2W	83.7 (2)	O1—C4—C5	120.7 (8)
N1—Zn1—O2W	90.5 (3)	C3—C4—C5	118.8 (8)
C8—N1—C10	115.2 (7)	C6—C5—C4	119.7 (8)
C8—N1—C7	111.8 (7)	C6—C5—C12	122.3 (8)
C10—N1—C7	108.4 (7)	C4—C5—C12	118.0 (8)
C8—N1—Zn1	107.4 (5)	C1—C6—C5	120.1 (9)
C10—N1—Zn1	104.7 (6)	C1—C6—H6	120.0
C7—N1—Zn1	109.0 (5)	C5—C6—H6	120.0
C4—O1—Zn2	112.7 (5)	N1—C7—C3	114.7 (7)
C4—O1—Zn1	115.6 (5)	N1—C7—H7A	108.6
Zn2—O1—Zn1	131.7 (3)	C3—C7—H7A	108.6
C9—O3—Zn1	115.6 (6)	N1—C7—H7B	108.6
C9—O3—Na1	103.0 (6)	C3—C7—H7B	108.6
Zn1—O3—Na1	122.8 (3)	H7A—C7—H7B	107.6
C11—O5—Zn1	113.1 (6)	N1—C8—C9	112.0 (8)
Zn1—O1W—H21	115.2	N1—C8—H8A	109.2
Zn1—O1W—H22	125.1	C9—C8—H8A	109.2
H21—O1W—H22	103.4	N1—C8—H8B	109.2
Zn1—O2W—H23	131.3	C9—C8—H8B	109.2
Zn1—O2W—H24	120.3	H8A—C8—H8B	107.9
H23—O2W—H24	104.1	O2—C9—O3	124.3 (9)
O3W—Zn2—O1	86.5 (2)	O2—C9—C8	116.4 (9)
O3W—Zn2—O7	101.1 (3)	O3—C9—C8	119.2 (9)
O1—Zn2—O7	98.3 (2)	N1—C10—C11	112.8 (7)
O3W—Zn2—O4W	87.9 (3)	N1—C10—H10A	109.0
O1—Zn2—O4W	171.6 (2)	C11—C10—H10A	109.0
O7—Zn2—O4W	88.9 (3)	N1—C10—H10B	109.0
O3W—Zn2—N2	177.7 (3)	C11—C10—H10B	109.0
O1—Zn2—N2	92.9 (2)	H10A—C10—H10B	107.8
O7—Zn2—N2	81.1 (3)	O4—C11—O5	124.4 (9)
O4W—Zn2—N2	92.5 (3)	O4—C11—C10	117.4 (9)
O3W—Zn2—O9	100.8 (3)	O5—C11—C10	118.0 (8)
O1—Zn2—O9	91.7 (2)	N2—C12—C5	113.9 (7)
O7—Zn2—O9	156.3 (2)	N2—C12—H12A	108.8
O4W—Zn2—O9	83.1 (3)	C5—C12—H12A	108.8
N2—Zn2—O9	77.0 (2)	N2—C12—H12B	108.8
C15—N2—C12	109.3 (7)	C5—C12—H12B	108.8
C15—N2—C13	113.6 (7)	H12A—C12—H12B	107.7
C12—N2—C13	110.4 (7)	N2—C13—C14	112.2 (7)
C15—N2—Zn2	107.8 (5)	N2—C13—H13A	109.2
C12—N2—Zn2	108.9 (5)	C14—C13—H13A	109.2
C13—N2—Zn2	106.6 (5)	N2—C13—H13B	109.2
C14—O7—Zn2	117.0 (6)	C14—C13—H13B	109.2
C16—O9—Zn2	113.1 (5)	H13A—C13—H13B	107.9
Zn2—O3W—H31	128.3	O6—C14—O7	126.7 (9)
Zn2—O3W—H32	128.2	O6—C14—C13	115.6 (8)
H31—O3W—H32	103.2	O7—C14—C13	117.7 (8)
Zn2—O4W—H41	121.8	N2—C15—C16	111.8 (7)
Zn2—O4W—H42	131.5	N2—C15—H15A	109.3
H41—O4W—H42	104.2	C16—C15—H15A	109.3
O6W—Na1—O3	133.4 (3)	N2—C15—H15B	109.3
O6W—Na1—O5W	99.5 (3)	C16—C15—H15B	109.3
O3—Na1—O5W	90.8 (3)	H15A—C15—H15B	107.9
O6W—Na1—O7W	126.1 (3)	O8—C16—O9	123.7 (9)
O3—Na1—O7W	98.0 (3)	O8—C16—C15	118.1 (8)
O5W—Na1—O7W	93.8 (3)	O9—C16—C15	118.2 (8)
Na1—O5W—H51	103.2	H81—O8W—H82	97.9
Na1—O5W—H52	103.2	H91—O9W—H92	103.8
H51—O5W—H52	104.5	H25—O10—H26	103.6
Na1—O6W—H61	119.2	H27—O11—H28	103.8
Na1—O6W—H62	137.0	H33—O12—H34	103.0
H61—O6W—H62	103.0
O3—Zn1—N1—C8	−16.5 (5)	Zn1—O3—Na1—O6W	−177.7 (4)
O1—Zn1—N1—C8	−112.0 (5)	C9—O3—Na1—O5W	58.8 (6)
O5—Zn1—N1—C8	151.9 (6)	Zn1—O3—Na1—O5W	−73.8 (4)
O2W—Zn1—N1—C8	68.4 (6)	C9—O3—Na1—O7W	152.8 (6)
O3—Zn1—N1—C10	−139.4 (5)	Zn1—O3—Na1—O7W	20.2 (4)
O1—Zn1—N1—C10	125.2 (5)	C6—C1—C2—C3	−3.4 (14)
O5—Zn1—N1—C10	29.0 (5)	Cl1—C1—C2—C3	178.4 (6)
O2W—Zn1—N1—C10	−54.5 (5)	C1—C2—C3—C4	3.2 (13)
O3—Zn1—N1—C7	104.7 (6)	C1—C2—C3—C7	−176.9 (8)
O1—Zn1—N1—C7	9.3 (6)	Zn2—O1—C4—C3	124.7 (7)
O5—Zn1—N1—C7	−86.9 (6)	Zn1—O1—C4—C3	−53.5 (9)
O2W—Zn1—N1—C7	−170.4 (6)	Zn2—O1—C4—C5	−53.4 (8)
O1W—Zn1—O1—C4	−138.3 (6)	Zn1—O1—C4—C5	128.3 (7)
O3—Zn1—O1—C4	−38.7 (6)	C2—C3—C4—O1	−179.6 (7)
O5—Zn1—O1—C4	123.8 (6)	C7—C3—C4—O1	0.6 (11)
N1—Zn1—O1—C4	43.4 (6)	C2—C3—C4—C5	−1.4 (12)
O1W—Zn1—O1—Zn2	43.9 (4)	C7—C3—C4—C5	178.7 (7)
O3—Zn1—O1—Zn2	143.5 (4)	O1—C4—C5—C6	177.7 (7)
O5—Zn1—O1—Zn2	−54.0 (4)	C3—C4—C5—C6	−0.4 (12)
N1—Zn1—O1—Zn2	−134.4 (4)	O1—C4—C5—C12	−5.0 (11)
O1W—Zn1—O3—C9	−165.8 (6)	C3—C4—C5—C12	176.9 (7)
O1—Zn1—O3—C9	101.5 (7)	C2—C1—C6—C5	1.7 (14)
O5—Zn1—O3—C9	−23.4 (11)	Cl1—C1—C6—C5	179.8 (7)
N1—Zn1—O3—C9	9.4 (6)	C4—C5—C6—C1	0.3 (13)
O2W—Zn1—O3—C9	−81.9 (7)	C12—C5—C6—C1	−176.9 (8)
O1W—Zn1—O3—Na1	−38.5 (4)	C8—N1—C7—C3	61.6 (10)
O1—Zn1—O3—Na1	−131.2 (3)	C10—N1—C7—C3	−170.4 (7)
O5—Zn1—O3—Na1	103.9 (7)	Zn1—N1—C7—C3	−57.0 (9)
N1—Zn1—O3—Na1	136.7 (4)	C2—C3—C7—N1	−115.5 (9)
O2W—Zn1—O3—Na1	45.5 (4)	C4—C3—C7—N1	64.3 (10)
O1W—Zn1—O5—C11	150.6 (6)	C10—N1—C8—C9	137.0 (8)
O3—Zn1—O5—C11	8.1 (11)	C7—N1—C8—C9	−98.7 (9)
O1—Zn1—O5—C11	−116.7 (6)	Zn1—N1—C8—C9	20.8 (9)
N1—Zn1—O5—C11	−24.9 (7)	Zn1—O3—C9—O2	177.4 (7)
O2W—Zn1—O5—C11	66.7 (7)	Na1—O3—C9—O2	40.7 (11)
C4—O1—Zn2—O3W	−133.2 (6)	Zn1—O3—C9—C8	0.5 (11)
Zn1—O1—Zn2—O3W	44.6 (4)	Na1—O3—C9—C8	−136.2 (7)
C4—O1—Zn2—O7	−32.4 (6)	N1—C8—C9—O2	167.4 (8)
Zn1—O1—Zn2—O7	145.4 (4)	N1—C8—C9—O3	−15.5 (12)
C4—O1—Zn2—N2	49.0 (5)	C8—N1—C10—C11	−148.2 (8)
Zn1—O1—Zn2—N2	−133.2 (4)	C7—N1—C10—C11	85.8 (9)
C4—O1—Zn2—O9	126.1 (5)	Zn1—N1—C10—C11	−30.5 (8)
Zn1—O1—Zn2—O9	−56.1 (4)	Zn1—O5—C11—O4	−160.1 (8)
O1—Zn2—N2—C15	121.2 (5)	Zn1—O5—C11—C10	14.0 (10)
O7—Zn2—N2—C15	−140.9 (6)	N1—C10—C11—O4	−172.8 (8)
O4W—Zn2—N2—C15	−52.3 (6)	N1—C10—C11—O5	12.7 (12)
O9—Zn2—N2—C15	30.0 (5)	C15—N2—C12—C5	−171.3 (7)
O1—Zn2—N2—C12	2.7 (5)	C13—N2—C12—C5	63.1 (9)
O7—Zn2—N2—C12	100.6 (5)	Zn2—N2—C12—C5	−53.7 (8)
O4W—Zn2—N2—C12	−170.8 (5)	C6—C5—C12—N2	−113.7 (9)
O9—Zn2—N2—C12	−88.5 (5)	C4—C5—C12—N2	69.1 (10)
O1—Zn2—N2—C13	−116.5 (5)	C15—N2—C13—C14	143.0 (8)
O7—Zn2—N2—C13	−18.5 (5)	C12—N2—C13—C14	−93.9 (9)
O4W—Zn2—N2—C13	70.0 (5)	Zn2—N2—C13—C14	24.3 (9)
O9—Zn2—N2—C13	152.3 (6)	Zn2—O7—C14—O6	179.7 (8)
O3W—Zn2—O7—C14	−170.5 (7)	Zn2—O7—C14—C13	2.0 (11)
O1—Zn2—O7—C14	101.5 (7)	N2—C13—C14—O6	163.0 (8)
O4W—Zn2—O7—C14	−82.8 (7)	N2—C13—C14—O7	−19.0 (12)
N2—Zn2—O7—C14	9.8 (7)	C12—N2—C15—C16	85.8 (8)
O9—Zn2—O7—C14	−12.8 (11)	C13—N2—C15—C16	−150.4 (7)
O3W—Zn2—O9—C16	155.8 (6)	Zn2—N2—C15—C16	−32.4 (8)
O1—Zn2—O9—C16	−117.4 (6)	Zn2—O9—C16—O8	−164.5 (7)
O7—Zn2—O9—C16	−1.9 (10)	Zn2—O9—C16—C15	13.7 (9)
O4W—Zn2—O9—C16	69.3 (6)	N2—C15—C16—O8	−168.5 (7)
N2—Zn2—O9—C16	−24.9 (6)	N2—C15—C16—O9	13.2 (11)
C9—O3—Na1—O6W	−45.0 (7)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H21···O9	0.89	1.94	2.804 (9)	163
O1W—H22···O7W	0.89	1.90	2.727 (10)	155
O2W—H23···O10	0.88	2.00	2.782 (11)	148
O3W—H31···O8^i	0.89	1.92	2.786 (9)	164
O3W—H32···O5	0.89	2.05	2.772 (9)	138
O4W—H41···O9^i	0.88	1.93	2.798 (9)	169
O4W—H42···O12^ii	0.88	1.87	2.665 (10)	150
O5W—H51···O2^iii	0.88	1.89	2.710 (10)	155
O5W—H52···O8W^iv	0.88	1.83	2.701 (11)	170
O6W—H61···O6^v	0.89	1.96	2.800 (10)	155
O6W—H62···O6^vi	0.88	1.91	2.744 (9)	156
O7W—H72···O11^iii	0.88	1.96	2.734 (13)	145
O9W—H91···O8^vii	0.89	1.98	2.814 (10)	157
O9W—H92···O8^viii	0.88	1.90	2.756 (10)	166
O11—H27···O4^ix	0.88	1.82	2.657 (12)	158
O12—H34···O4	0.88	1.86	2.735 (11)	171

Symmetry codes: (i) −x+2, −y, −z+2; (ii) x, y−1, z; (iii) −x+2, −y+1, −z+1; (iv) x+1, y, z; (v) x+1, y+1, z; (vi) −x+2, −y, −z+1; (vii) −x+2, −y+1, −z+2; (viii) x−1, y+1, z; (ix) x, y, z−1.