Trisodium diaqua­bis(malonato-κ²O,O′)nickelate(II) chloride hexa­hydrate

In the title compound, Na₃[Ni(C₃H₂O₄)₂]Cl·6H₂O, two crystallographically independent Ni atoms lie on centres of symmetry, each coordinated by four O atoms from two malonate ligands and by two water mol­ecules in a distorted octa­hedral geometry. The Ni—O bond lengths are in the range 1.994 (18)–2.137 (2) Å. The three Na⁺ ions are coordinated by seven O atoms, six O atoms, and five O and one Cl atom. The crystal packing is stabilized by the three-dimensional hydrogen-bonding network formed by O—H...O and O—H...Cl hydrogen bonds.

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean [sigma](C-C) = 0.003 Å
• R factor = 0.027
• wR factor = 0.075
• Data-to-parameter ratio = 16.4

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT420_ALERT_2_B D-H Without Acceptor       O6     -   H8     ...          ?

Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.98
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.97
PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) .       1.33 Ratio

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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Computing details

Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON (Spek, 2003); software used to prepare material for publication: SHELXL97.

Trisodium diaquabis(malonato-κ²O,O')nickel(II) chloride hexahydrate

Crystal data

Na3[Ni(C3H2O4)2]Cl·6H2O	Z = 2
Mr = 511.35	F(000) = 524
Triclinic, P1	Dx = 1.833 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 7.053 (3) Å	Cell parameters from 8146 reflections
b = 9.615 (5) Å	θ = 6.2–55.0°
c = 14.624 (10) Å	µ = 1.34 mm^−1
α = 93.51 (3)°	T = 295 K
β = 92.75 (3)°	Block, green
γ = 110.19 (2)°	0.37 × 0.32 × 0.29 mm
V = 926.5 (9) Å^3

Data collection

Rigaku R-AXIS RAPID diffractometer	4156 independent reflections
Radiation source: fine-focus sealed tube	3809 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.022
ω scans	θmax = 27.5°, θmin = 3.1°
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	h = −9→9
Tmin = 0.641, Tmax = 0.699	k = −12→12
8824 measured reflections	l = −18→18

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.028	H-atom parameters constrained
wR(F^2) = 0.075	w = 1/[σ^2(Fo^2) + (0.0119P)^2 + 0.8306P] where P = (Fo^2 + 2Fc^2)/3
S = 1.33	(Δ/σ)max = 0.001
4156 reflections	Δρmax = 0.43 e Å^−3
254 parameters	Δρmin = −0.30 e Å^−3
24 restraints	Extinction correction: SHELXL97, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.066 (2)

Special details

Experimental. (See detailed section in the paper)

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

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

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

	x	y	z	Uiso*/Ueq
C1	−0.1299 (3)	−0.0182 (2)	0.09312 (14)	0.0178 (4)
C2	−0.0809 (3)	0.1416 (2)	0.13133 (16)	0.0239 (5)
H2	0.0636	0.1829	0.1480	0.029*
H1	−0.1486	0.1396	0.1877	0.029*
C3	−0.1343 (3)	0.2488 (2)	0.07206 (14)	0.0171 (4)
C4	0.1446 (3)	0.8353 (2)	0.37295 (14)	0.0191 (4)
C5	0.1417 (4)	0.9871 (3)	0.34957 (16)	0.0254 (5)
H4	0.2386	1.0228	0.3039	0.030*
H3	0.0087	0.9726	0.3208	0.030*
C6	0.1875 (3)	1.1095 (2)	0.42688 (15)	0.0190 (4)
Cl1	−0.40135 (10)	0.31714 (7)	0.26328 (4)	0.03348 (15)
Na1	0.25998 (13)	0.52820 (10)	0.01397 (6)	0.0247 (2)
Na2	0.01124 (15)	0.53553 (11)	0.22191 (6)	0.0292 (2)
Na3	0.43181 (15)	0.63680 (10)	0.43278 (7)	0.0293 (2)
Ni1	−0.5000	0.0000	0.0000	0.01633 (11)
Ni2	0.5000	1.0000	0.5000	0.01679 (11)
O1	−0.0028 (2)	−0.07761 (18)	0.11152 (13)	0.0310 (4)
O2	−0.2974 (2)	−0.08777 (17)	0.04910 (11)	0.0219 (3)
O3	−0.2895 (2)	0.20289 (16)	0.01606 (11)	0.0220 (3)
O4	−0.0247 (2)	0.38199 (16)	0.08347 (11)	0.0234 (3)
O5	−0.6013 (2)	0.01393 (19)	0.13266 (11)	0.0255 (3)
H5	−0.7289	−0.0070	0.1273	0.038*
H6	−0.5507	0.0961	0.1651	0.038*
O6	0.1934 (3)	0.37001 (19)	−0.12860 (12)	0.0316 (4)
H8	0.3051	0.3738	−0.1489	0.047*
H7	0.1292	0.2802	−0.1191	0.047*
O7	0.4204 (2)	0.36209 (18)	0.05954 (12)	0.0278 (4)
H10	0.4631	0.3474	0.1118	0.042*
H9	0.3671	0.2787	0.0285	0.042*
O8	0.3292 (3)	0.6798 (2)	0.16333 (12)	0.0374 (4)
H11	0.4252	0.7036	0.2049	0.056*
H12	0.3435	0.7557	0.1341	0.056*
O9	0.2227 (3)	0.4355 (2)	0.31759 (13)	0.0357 (4)
H14	0.3167	0.4147	0.2927	0.054*
H13	0.1667	0.3662	0.3514	0.054*
O10	0.7062 (3)	0.5291 (2)	0.45710 (14)	0.0454 (5)
H16	0.8094	0.6070	0.4683	0.068*
H15	0.7165	0.4874	0.4059	0.068*
O11	0.6262 (3)	0.7585 (2)	0.30692 (12)	0.0331 (4)
H18	0.6460	0.8478	0.3263	0.050*
H17	0.7392	0.7458	0.3127	0.050*
O12	0.2919 (2)	0.82908 (17)	0.42269 (11)	0.0230 (3)
O13	0.0040 (2)	0.72321 (18)	0.33774 (12)	0.0277 (4)
O14	0.0748 (2)	1.18546 (19)	0.43087 (13)	0.0312 (4)
O15	0.3426 (2)	1.13638 (17)	0.48094 (11)	0.0234 (3)
O16	0.6704 (2)	1.06760 (19)	0.38339 (11)	0.0252 (3)
H19	0.6400	1.1330	0.3555	0.038*
H20	0.7960	1.1051	0.4003	0.038*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C1	0.0154 (9)	0.0162 (10)	0.0214 (10)	0.0046 (8)	0.0013 (7)	0.0044 (8)
C2	0.0246 (11)	0.0165 (11)	0.0280 (11)	0.0060 (9)	−0.0097 (9)	−0.0015 (8)
C3	0.0150 (9)	0.0146 (10)	0.0222 (10)	0.0057 (8)	0.0033 (7)	0.0002 (8)
C4	0.0169 (9)	0.0215 (11)	0.0187 (10)	0.0072 (8)	0.0006 (7)	−0.0027 (8)
C5	0.0271 (11)	0.0221 (12)	0.0248 (11)	0.0075 (10)	−0.0084 (9)	−0.0002 (9)
C6	0.0154 (9)	0.0166 (10)	0.0241 (10)	0.0039 (8)	0.0000 (8)	0.0052 (8)
Cl1	0.0413 (3)	0.0313 (3)	0.0273 (3)	0.0122 (3)	0.0018 (2)	0.0020 (2)
Na1	0.0216 (4)	0.0247 (5)	0.0282 (5)	0.0082 (4)	0.0014 (3)	0.0047 (4)
Na2	0.0369 (5)	0.0248 (5)	0.0247 (5)	0.0107 (4)	−0.0027 (4)	−0.0023 (4)
Na3	0.0331 (5)	0.0210 (5)	0.0328 (5)	0.0088 (4)	−0.0016 (4)	0.0015 (4)
Ni1	0.01339 (18)	0.01281 (19)	0.0217 (2)	0.00382 (14)	−0.00293 (13)	0.00105 (14)
Ni2	0.01376 (18)	0.0153 (2)	0.0209 (2)	0.00555 (15)	−0.00365 (13)	−0.00086 (14)
O1	0.0184 (8)	0.0201 (9)	0.0551 (11)	0.0086 (7)	−0.0065 (7)	0.0044 (7)
O2	0.0183 (7)	0.0148 (7)	0.0314 (8)	0.0056 (6)	−0.0055 (6)	−0.0002 (6)
O3	0.0192 (7)	0.0145 (7)	0.0300 (8)	0.0037 (6)	−0.0057 (6)	0.0032 (6)
O4	0.0215 (7)	0.0123 (7)	0.0319 (9)	0.0007 (6)	0.0012 (6)	−0.0014 (6)
O5	0.0190 (7)	0.0297 (9)	0.0259 (8)	0.0069 (7)	0.0006 (6)	−0.0014 (7)
O6	0.0380 (10)	0.0236 (9)	0.0335 (9)	0.0120 (8)	−0.0014 (7)	0.0012 (7)
O7	0.0297 (9)	0.0221 (8)	0.0331 (9)	0.0113 (7)	−0.0015 (7)	0.0028 (7)
O8	0.0461 (11)	0.0260 (10)	0.0315 (10)	0.0025 (8)	−0.0076 (8)	0.0060 (7)
O9	0.0396 (10)	0.0317 (10)	0.0364 (10)	0.0129 (8)	0.0017 (8)	0.0047 (8)
O10	0.0496 (12)	0.0456 (12)	0.0413 (11)	0.0139 (10)	0.0135 (9)	0.0134 (9)
O11	0.0265 (9)	0.0360 (10)	0.0345 (9)	0.0100 (8)	−0.0045 (7)	−0.0045 (8)
O12	0.0193 (7)	0.0182 (8)	0.0300 (8)	0.0067 (6)	−0.0067 (6)	−0.0025 (6)
O13	0.0229 (8)	0.0240 (9)	0.0322 (9)	0.0063 (7)	−0.0077 (7)	−0.0088 (7)
O14	0.0219 (8)	0.0253 (9)	0.0485 (11)	0.0128 (7)	−0.0060 (7)	−0.0007 (8)
O15	0.0218 (8)	0.0201 (8)	0.0288 (8)	0.0102 (7)	−0.0080 (6)	−0.0035 (6)
O16	0.0189 (7)	0.0282 (9)	0.0283 (8)	0.0076 (7)	−0.0001 (6)	0.0064 (7)

Geometric parameters (Å, º)

C1—O1	1.245 (3)	Na3—O11	2.457 (2)
C1—O2	1.259 (3)	Na3—O9	2.480 (2)
C1—C2	1.517 (3)	Na3—O10	2.512 (2)
C2—C3	1.518 (3)	Na3—Na3^iii	3.730 (2)
C2—H2	0.9700	Ni1—O3	1.9942 (17)
C2—H1	0.9700	Ni1—O3^v	1.9942 (17)
C3—O4	1.242 (3)	Ni1—O2^v	2.0195 (16)
C3—O3	1.265 (3)	Ni1—O2	2.0195 (16)
C3—Na1^i	2.916 (3)	Ni1—O5^v	2.112 (2)
C4—O13	1.247 (3)	Ni1—O5	2.112 (2)
C4—O12	1.260 (3)	Ni2—O15	2.0122 (16)
C4—C5	1.526 (3)	Ni2—O15^iv	2.0122 (16)
C5—C6	1.519 (3)	Ni2—O12	2.0202 (18)
C5—H4	0.9700	Ni2—O12^iv	2.0202 (18)
C5—H3	0.9700	Ni2—O16	2.137 (2)
C6—O14	1.252 (3)	Ni2—O16^iv	2.137 (2)
C6—O15	1.259 (3)	Ni2—Na3^iv	3.430 (2)
Na1—O4	2.338 (2)	O3—Na1^i	2.588 (2)
Na1—O7	2.362 (2)	O4—Na1^i	2.538 (2)
Na1—O6	2.430 (2)	O5—H5	0.8502
Na1—O7^ii	2.466 (2)	O5—H6	0.8487
Na1—O8	2.480 (2)	O6—Na2^i	2.374 (2)
Na1—O4^i	2.538 (2)	O6—H8	0.8453
Na1—O3^i	2.588 (2)	O6—H7	0.8493
Na1—C3^i	2.916 (3)	O7—Na1^ii	2.466 (2)
Na1—Na1^i	3.517 (2)	O7—H10	0.8456
Na1—Na1^ii	3.647 (2)	O7—H9	0.8462
Na1—Na2^i	3.773 (3)	O8—H11	0.8472
Na1—H12	2.5992	O8—H12	0.8470
Na2—O6^i	2.374 (2)	O9—H14	0.8473
Na2—O4	2.381 (2)	O9—H13	0.8495
Na2—O13	2.414 (2)	O10—Na3^iii	2.341 (2)
Na2—O8	2.423 (2)	O10—H16	0.8457
Na2—O9	2.462 (2)	O10—H15	0.8453
Na2—Cl1	3.0579 (17)	O11—H18	0.8494
Na2—Na1^i	3.773 (3)	O11—H17	0.8480
Na3—O10^iii	2.341 (2)	O15—Na3^iv	2.440 (2)
Na3—O12	2.386 (2)	O16—H19	0.85
Na3—O15^iv	2.440 (2)	O16—H20	0.85
O1—C1—O2	122.6 (2)	O10^iii—Na3—O12	114.05 (8)
O1—C1—C2	117.01 (19)	O10^iii—Na3—O15^iv	105.68 (9)
O2—C1—C2	120.28 (18)	O12—Na3—O15^iv	70.42 (7)
C1—C2—C3	119.03 (18)	O10^iii—Na3—O11	163.19 (8)
C1—C2—H2	107.6	O12—Na3—O11	82.67 (7)
C3—C2—H2	107.6	O15^iv—Na3—O11	80.88 (8)
C1—C2—H1	107.6	O10^iii—Na3—O9	85.95 (9)
C3—C2—H1	107.6	O12—Na3—O9	104.78 (7)
H2—C2—H1	107.0	O15^iv—Na3—O9	168.36 (7)
O4—C3—O3	122.3 (2)	O11—Na3—O9	88.04 (8)
O4—C3—C2	117.43 (19)	O10^iii—Na3—O10	79.59 (8)
O3—C3—C2	120.26 (18)	O12—Na3—O10	156.23 (8)
O4—C3—Na1^i	60.18 (12)	O15^iv—Na3—O10	87.48 (8)
O3—C3—Na1^i	62.53 (11)	O11—Na3—O10	85.34 (7)
C2—C3—Na1^i	170.47 (14)	O9—Na3—O10	95.22 (8)
O13—C4—O12	123.5 (2)	O10^iii—Na3—Na3^iii	41.48 (6)
O13—C4—C5	117.47 (19)	O12—Na3—Na3^iii	150.69 (7)
O12—C4—C5	118.92 (19)	O15^iv—Na3—Na3^iii	98.05 (7)
C6—C5—C4	118.35 (19)	O11—Na3—Na3^iii	123.10 (7)
C6—C5—H4	107.7	O9—Na3—Na3^iii	90.97 (7)
C4—C5—H4	107.7	O10—Na3—Na3^iii	38.11 (5)
C6—C5—H3	107.7	O3—Ni1—O3^v	180.00 (8)
C4—C5—H3	107.7	O3—Ni1—O2^v	89.63 (7)
H4—C5—H3	107.1	O3^v—Ni1—O2^v	90.37 (7)
O14—C6—O15	122.6 (2)	O3—Ni1—O2	90.37 (7)
O14—C6—C5	118.15 (19)	O3^v—Ni1—O2	89.63 (7)
O15—C6—C5	119.13 (19)	O2^v—Ni1—O2	180.00 (7)
O4—Na1—O7	87.32 (7)	O3—Ni1—O5^v	85.98 (7)
O4—Na1—O6	95.88 (8)	O3^v—Ni1—O5^v	94.02 (7)
O7—Na1—O6	81.69 (7)	O2^v—Ni1—O5^v	90.39 (7)
O4—Na1—O7^ii	168.56 (7)	O2—Ni1—O5^v	89.61 (7)
O7—Na1—O7^ii	81.93 (7)	O3—Ni1—O5	94.02 (7)
O6—Na1—O7^ii	78.76 (7)	O3^v—Ni1—O5	85.98 (7)
O4—Na1—O8	82.85 (7)	O2^v—Ni1—O5	89.61 (7)
O7—Na1—O8	95.89 (8)	O2—Ni1—O5	90.39 (7)
O6—Na1—O8	177.33 (7)	O5^v—Ni1—O5	180.00 (8)
O7^ii—Na1—O8	102.07 (8)	O15—Ni2—O15^iv	180.00 (9)
O4—Na1—O4^i	87.78 (7)	O15—Ni2—O12	92.73 (7)
O7—Na1—O4^i	156.58 (7)	O15^iv—Ni2—O12	87.27 (7)
O6—Na1—O4^i	76.06 (7)	O15—Ni2—O12^iv	87.27 (7)
O7^ii—Na1—O4^i	100.56 (7)	O15^iv—Ni2—O12^iv	92.73 (7)
O8—Na1—O4^i	106.19 (7)	O12—Ni2—O12^iv	180.0
O4—Na1—O3^i	118.19 (7)	O15—Ni2—O16	93.04 (7)
O7—Na1—O3^i	148.50 (7)	O15^iv—Ni2—O16	86.96 (7)
O6—Na1—O3^i	111.32 (7)	O12—Ni2—O16	91.00 (8)
O7^ii—Na1—O3^i	73.25 (6)	O12^iv—Ni2—O16	89.00 (8)
O8—Na1—O3^i	71.35 (7)	O15—Ni2—O16^iv	86.96 (7)
O4^i—Na1—O3^i	50.70 (5)	O15^iv—Ni2—O16^iv	93.04 (7)
O4—Na1—C3^i	105.12 (7)	O12—Ni2—O16^iv	89.00 (8)
O7—Na1—C3^i	166.79 (7)	O12^iv—Ni2—O16^iv	91.00 (8)
O6—Na1—C3^i	92.43 (8)	O16—Ni2—O16^iv	180.000 (1)
O7^ii—Na1—C3^i	85.34 (7)	O15—Ni2—Na3^iv	44.41 (5)
O8—Na1—C3^i	90.18 (8)	O15^iv—Ni2—Na3^iv	135.59 (5)
O4^i—Na1—C3^i	25.13 (5)	O12—Ni2—Na3^iv	137.13 (5)
O3^i—Na1—C3^i	25.69 (5)	O12^iv—Ni2—Na3^iv	42.87 (5)
O4—Na1—Na1^i	46.15 (5)	O16—Ni2—Na3^iv	90.59 (6)
O7—Na1—Na1^i	129.14 (7)	O16^iv—Ni2—Na3^iv	89.41 (6)
O6—Na1—Na1^i	83.93 (6)	C1—O2—Ni1	126.69 (14)
O7^ii—Na1—Na1^i	141.61 (7)	C3—O3—Ni1	127.65 (14)
O8—Na1—Na1^i	96.81 (6)	C3—O3—Na1^i	91.78 (12)
O4^i—Na1—Na1^i	41.62 (4)	Ni1—O3—Na1^i	137.89 (8)
O3^i—Na1—Na1^i	81.77 (5)	C3—O4—Na1	133.73 (14)
C3^i—Na1—Na1^i	61.31 (5)	C3—O4—Na2	124.32 (14)
O4—Na1—Na1^ii	129.23 (7)	Na1—O4—Na2	99.14 (7)
O7—Na1—Na1^ii	42.03 (5)	C3—O4—Na1^i	94.69 (13)
O6—Na1—Na1^ii	76.97 (6)	Na1—O4—Na1^i	92.22 (7)
O7^ii—Na1—Na1^ii	39.90 (5)	Na2—O4—Na1^i	100.12 (7)
O8—Na1—Na1^ii	101.99 (7)	Ni1—O5—H5	108.2
O4^i—Na1—Na1^ii	135.93 (6)	Ni1—O5—H6	117.8
O3^i—Na1—Na1^ii	110.95 (6)	H5—O5—H6	107.3
C3^i—Na1—Na1^ii	125.15 (6)	Na2^i—O6—Na1	103.48 (8)
Na1^i—Na1—Na1^ii	159.88 (6)	Na2^i—O6—H8	115.9
O4—Na1—Na2^i	94.25 (6)	Na1—O6—H8	108.8
O7—Na1—Na2^i	119.32 (6)	Na2^i—O6—H7	110.6
O6—Na1—Na2^i	37.74 (5)	Na1—O6—H7	110.4
O7^ii—Na1—Na2^i	87.66 (6)	H8—O6—H7	107.6
O8—Na1—Na2^i	144.58 (6)	Na1—O7—Na1^ii	98.07 (7)
O4^i—Na1—Na2^i	38.41 (4)	Na1—O7—H10	131.6
O3^i—Na1—Na2^i	79.33 (5)	Na1^ii—O7—H10	101.5
C3^i—Na1—Na2^i	56.36 (5)	Na1—O7—H9	110.1
Na1^i—Na1—Na2^i	58.92 (4)	Na1^ii—O7—H9	102.1
Na1^ii—Na1—Na2^i	106.83 (5)	H10—O7—H9	108.3
O4—Na1—H12	94.9	Na2—O8—Na1	94.20 (8)
O7—Na1—H12	111.2	Na2—O8—H11	111.0
O6—Na1—H12	163.6	Na1—O8—H11	133.4
O7^ii—Na1—H12	92.7	Na2—O8—H12	123.0
O8—Na1—H12	19.0	Na1—O8—H12	88.5
O4^i—Na1—H12	92.0	H11—O8—H12	107.4
O3^i—Na1—H12	52.4	Na2—O9—Na3	108.16 (8)
C3^i—Na1—H12	72.8	Na2—O9—H14	117.8
Na1^i—Na1—H12	94.7	Na3—O9—H14	99.0
Na1^ii—Na1—H12	105.4	Na2—O9—H13	119.6
Na2^i—Na1—H12	129.0	Na3—O9—H13	101.8
O6^i—Na2—O4	80.17 (7)	H14—O9—H13	107.3
O6^i—Na2—O13	85.13 (8)	Na3^iii—O10—Na3	100.41 (8)
O4—Na2—O13	165.19 (7)	Na3^iii—O10—H16	123.6
O6^i—Na2—O8	95.66 (8)	Na3—O10—H16	101.3
O4—Na2—O8	83.20 (7)	Na3^iii—O10—H15	114.0
O13—Na2—O8	96.56 (8)	Na3—O10—H15	106.8
O6^i—Na2—O9	179.46 (7)	H16—O10—H15	108.3
O4—Na2—O9	99.30 (8)	Na3—O11—H18	97.7
O13—Na2—O9	95.41 (8)	Na3—O11—H17	106.1
O8—Na2—O9	84.39 (8)	H18—O11—H17	107.3
O6^i—Na2—Cl1	82.28 (7)	C4—O12—Ni2	126.47 (14)
O4—Na2—Cl1	86.33 (6)	C4—O12—Na3	130.88 (14)
O13—Na2—Cl1	93.51 (6)	Ni2—O12—Na3	101.94 (7)
O8—Na2—Cl1	169.52 (6)	C4—O13—Na2	129.62 (14)
O9—Na2—Cl1	97.58 (7)	C6—O15—Ni2	126.16 (14)
O6^i—Na2—Na1^i	38.78 (5)	C6—O15—Na3^iv	132.69 (14)
O4—Na2—Na1^i	41.47 (5)	Ni2—O15—Na3^iv	100.35 (7)
O13—Na2—Na1^i	123.90 (6)	Ni2—O16—H19	113
O8—Na2—Na1^i	91.51 (7)	Ni2—O16—H20	109.7
O9—Na2—Na1^i	140.68 (6)	H19—O16—H20	107.3
Cl1—Na2—Na1^i	80.43 (5)

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

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O6—H7···O1^vi	0.85	1.85	2.699 (3)	173
O7—H10···Cl1^vii	0.85	2.44	3.289 (3)	177
O7—H9···O2^vi	0.85	2.00	2.830 (3)	169
O8—H11···O11	0.85	1.92	2.768 (3)	175
O8—H12···O3^i	0.85	2.29	2.957 (3)	136
O8—H12···O5^viii	0.85	2.38	3.142 (3)	150
O9—H14···Cl1^vii	0.85	2.52	3.336 (2)	163
O9—H13···O14^ix	0.85	2.08	2.922 (3)	170
O10—H16···O14^iv	0.85	2.29	2.980 (3)	140
O10—H16···O13^vii	0.85	2.50	2.998 (3)	119
O10—H15···Cl1^vii	0.85	2.49	3.283 (3)	157
O11—H18···O16	0.85	2.17	3.017 (3)	174
O11—H17···O13^vii	0.85	1.97	2.819 (3)	175
O16—H19···Cl1^viii	0.85	2.38	3.220 (2)	171
O16—H20···O14^vii	0.85	1.87	2.717 (3)	177

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