A nickel(II) fumarate complex with o-phenanthroline

In the dinuclear and centrosymmetric title complex, μ-fumarato-bis[aquabis(1,10-phenanthroline)nickel(II)] fumar­ate hexadecahydrate, [Ni₂(C₄H₂O₄)(C₁₂H₈N₂)₄(H₂O)₂](C₄H₂O₄)·16H₂O or [Ni₂(phen)₄L(H₂O)₂]L·16H₂O, where phen = 1,10-phenanthroline and L²⁻ = fumarate, the nickel(II) cation is six-coordinated by two O atoms, one from a water mol­ecule and the other from one end of a bridging L²⁻ anion, and four N atoms from two bidentate phen ligands. Each of the two independent L²⁻ anions is located about an inversion centre. Interestingly, one L²⁻ anion is bridging and the other acts as a counter-ion. The [Ni₂(phen)₄L(H₂O)₂]²⁺ cations, water mol­ecules and L²⁻ anions are connected through complex hydrogen-bonding interactions to form a three-dimensional structure.

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean [sigma](C-C) = 0.008 Å
• R factor = 0.057
• wR factor = 0.143
• Data-to-parameter ratio = 13.6

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.99
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          8
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          9
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          3
              H2 O

   0 ALERT level A = In general: serious problem
   0 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
   0 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
   2 ALERT type 4 Improvement, methodology, query or suggestion

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Computing details

Data collection: XSCANS (Siemens, 1994); cell refinement: XSCANS; data reduction: XSCANS; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL-Plus (Sheldrick, 1990); software used to prepare material for publication: SHELXL97.

(I)

Crystal data

[Ni2(C12H8N2)4(C4H2O4)(H2O)2]C4H2O4·16H2O	Z = 1
Mr = 1390.60	F(000) = 728
Triclinic, P1	Dx = 1.402 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 10.736 (4) Å	Cell parameters from 22 reflections
b = 10.903 (3) Å	θ = 4.7–9.3°
c = 14.802 (5) Å	µ = 0.66 mm^−1
α = 86.68 (3)°	T = 293 K
β = 86.27 (3)°	Block, green
γ = 72.46 (3)°	0.44 × 0.35 × 0.32 mm
V = 1647.3 (10) Å^3

Data collection

Siemens P4 diffractometer	3577 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.022
Graphite monochromator	θmax = 26.0°, θmin = 2.0°
ω scan	h = −1→13
Absorption correction: ψ scan (North et al., 1968)	k = −13→13
Tmin = 0.734, Tmax = 0.810	l = −18→18
7676 measured reflections	3 standard reflections every 97 reflections
6365 independent reflections	intensity decay: none

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)] = 0.057	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.143	H atoms treated by a mixture of independent and constrained refinement
S = 0.88	w = 1/[σ^2(Fo^2) + (0.0653P)^2] where P = (Fo^2 + 2Fc^2)/3
6365 reflections	(Δ/σ)max < 0.001
469 parameters	Δρmax = 0.63 e Å^−3
33 restraints	Δρmin = −0.49 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.

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	0.0557 (5)	0.0474 (5)	0.1107 (3)	0.0446 (12)
C2	0.0331 (5)	−0.0263 (5)	0.0352 (3)	0.0463 (12)
H2	0.0683	−0.1154	0.0384	0.056*
C3	0.9680 (6)	0.4876 (5)	0.3742 (4)	0.0533 (13)
C4	0.9521 (5)	0.5176 (5)	0.4725 (4)	0.0569 (14)
H4	0.8696	0.5636	0.4956	0.068*
C101	0.0994 (5)	−0.1304 (5)	0.3551 (3)	0.0506 (13)
H101	0.0731	−0.1414	0.2982	0.061*
C102	0.0633 (6)	−0.1998 (5)	0.4303 (4)	0.0658 (17)
H102	0.0138	−0.2552	0.4234	0.079*
C103	0.1028 (6)	−0.1838 (6)	0.5134 (4)	0.077 (2)
H103	0.0814	−0.2299	0.5638	0.092*
C104	0.1745 (6)	−0.0993 (5)	0.5233 (3)	0.0591 (15)
C105	0.2185 (7)	−0.0734 (7)	0.6079 (4)	0.082 (2)
H105	0.2001	−0.1175	0.6603	0.098*
C106	0.2846 (7)	0.0114 (7)	0.6143 (4)	0.088 (2)
H106	0.3103	0.0257	0.6705	0.105*
C107	0.3164 (6)	0.0811 (6)	0.5350 (3)	0.0642 (16)
C108	0.3850 (7)	0.1707 (7)	0.5354 (4)	0.083 (2)
H108	0.4132	0.1893	0.5896	0.100*
C109	0.4107 (6)	0.2310 (6)	0.4572 (5)	0.0795 (19)
H109	0.4552	0.2921	0.4577	0.095*
C110	0.3703 (5)	0.2012 (5)	0.3755 (4)	0.0576 (14)
H110	0.3907	0.2416	0.3220	0.069*
C111	0.2764 (5)	0.0567 (5)	0.4505 (3)	0.0454 (12)
C112	0.2054 (5)	−0.0337 (4)	0.4442 (3)	0.0420 (11)
C201	0.4507 (5)	−0.1939 (5)	0.2532 (3)	0.0507 (13)
H201	0.3979	−0.2280	0.2931	0.061*
C202	0.5744 (6)	−0.2738 (5)	0.2259 (4)	0.0633 (15)
H202	0.6025	−0.3593	0.2469	0.076*
C203	0.6526 (6)	−0.2250 (6)	0.1685 (4)	0.0691 (17)
H203	0.7356	−0.2768	0.1507	0.083*
C204	0.6084 (5)	−0.0950 (5)	0.1353 (3)	0.0560 (14)
C205	0.6819 (6)	−0.0385 (7)	0.0732 (4)	0.0759 (18)
H205	0.7658	−0.0863	0.0540	0.091*
C206	0.6319 (6)	0.0856 (7)	0.0406 (4)	0.0782 (19)
H206	0.6815	0.1200	−0.0016	0.094*
C207	0.5049 (5)	0.1632 (5)	0.0704 (3)	0.0541 (13)
C208	0.4465 (7)	0.2905 (6)	0.0385 (4)	0.0695 (17)
H208	0.4928	0.3307	−0.0021	0.083*
C209	0.3223 (6)	0.3546 (6)	0.0672 (3)	0.0656 (16)
H209	0.2822	0.4379	0.0451	0.079*
C210	0.2558 (5)	0.2941 (5)	0.1303 (3)	0.0544 (13)
H210	0.1714	0.3398	0.1501	0.065*
C211	0.4286 (5)	0.1093 (5)	0.1334 (3)	0.0428 (11)
C212	0.4832 (5)	−0.0226 (5)	0.1662 (3)	0.0417 (11)
N1	0.1686 (4)	−0.0508 (3)	0.3618 (2)	0.0402 (9)
N2	0.3043 (4)	0.1178 (4)	0.3719 (2)	0.0431 (10)
N3	0.4055 (4)	−0.0715 (4)	0.2246 (2)	0.0401 (9)
N4	0.3067 (4)	0.1736 (4)	0.1641 (2)	0.0416 (9)
O1	0.1446 (3)	−0.0129 (3)	0.16211 (19)	0.0450 (8)
O2	−0.0097 (4)	0.1634 (4)	0.1174 (3)	0.0855 (14)
O3	1.0781 (4)	0.4334 (4)	0.3386 (3)	0.0684 (11)
O4	0.8644 (4)	0.5190 (4)	0.3323 (3)	0.0810 (13)
OW1	0.0543 (3)	0.2098 (3)	0.2789 (2)	0.0441 (8)
OW2	0.3940 (4)	−0.3808 (4)	0.4223 (3)	0.0706 (11)
OW3	0.3520 (4)	0.5473 (5)	0.6029 (3)	0.0770 (12)
OW4	0.2876 (5)	0.5299 (4)	0.2810 (3)	0.0742 (12)
OW5	0.9106 (5)	0.4839 (5)	0.1472 (4)	0.0956 (15)
OW6	0.7294 (5)	0.3541 (6)	0.0993 (4)	0.1202 (19)
OW7	0.4464 (5)	0.6379 (5)	0.7500 (3)	0.1004 (16)
OW8	0.2373 (8)	0.7051 (5)	0.1336 (4)	0.140 (3)
OW9	1.0125 (9)	0.6600 (6)	0.0530 (4)	0.156 (3)
Ni	0.22718 (6)	0.06337 (6)	0.25907 (4)	0.03582 (19)
H11	0.065 (5)	0.270 (3)	0.302 (3)	0.043*
H12	0.033 (4)	0.211 (4)	0.2288 (17)	0.043*
H21	0.363 (4)	−0.403 (4)	0.468 (2)	0.043*
H22	0.464 (3)	−0.432 (4)	0.410 (3)	0.043*
H31	0.288 (3)	0.530 (5)	0.622 (3)	0.043*
H32	0.362 (4)	0.592 (4)	0.643 (2)	0.043*
H41	0.290 (5)	0.561 (4)	0.330 (2)	0.043*
H42	0.220 (3)	0.512 (5)	0.301 (3)	0.043*
H51	0.845 (3)	0.471 (4)	0.131 (3)	0.043*
H52	0.889 (4)	0.535 (3)	0.1849 (17)	0.043*
H61	0.735 (4)	0.352 (3)	0.0320 (12)	0.043*
H62	0.791 (3)	0.288 (2)	0.1068 (15)	0.043*
H71	0.499 (3)	0.578 (3)	0.761 (2)	0.043*
H72	0.419 (4)	0.653 (4)	0.8138 (14)	0.043*
H81	0.237 (4)	0.670 (3)	0.176 (2)	0.043*
H82	0.216 (5)	0.7794 (19)	0.132 (3)	0.043*
H91	1.001 (4)	0.668 (3)	0.1042 (15)	0.043*
H92	1.007 (5)	0.589 (2)	0.0506 (19)	0.043*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C1	0.044 (3)	0.044 (3)	0.043 (3)	−0.008 (2)	−0.006 (2)	−0.004 (2)
C2	0.046 (3)	0.049 (3)	0.042 (3)	−0.010 (2)	−0.011 (2)	−0.003 (2)
C3	0.059 (4)	0.045 (3)	0.060 (3)	−0.024 (3)	0.006 (3)	−0.003 (3)
C4	0.058 (4)	0.046 (3)	0.069 (4)	−0.021 (3)	0.007 (3)	−0.005 (3)
C101	0.052 (3)	0.044 (3)	0.056 (3)	−0.016 (3)	0.002 (3)	0.001 (2)
C102	0.058 (4)	0.047 (3)	0.089 (4)	−0.017 (3)	0.023 (3)	0.012 (3)
C103	0.078 (5)	0.058 (4)	0.071 (4)	0.004 (3)	0.035 (4)	0.023 (3)
C104	0.059 (4)	0.052 (3)	0.048 (3)	0.005 (3)	0.013 (3)	0.010 (2)
C105	0.090 (5)	0.090 (5)	0.033 (3)	0.018 (4)	0.003 (3)	0.018 (3)
C106	0.099 (6)	0.111 (6)	0.035 (3)	−0.002 (5)	−0.018 (3)	0.000 (3)
C107	0.062 (4)	0.076 (4)	0.041 (3)	0.005 (3)	−0.015 (3)	−0.012 (3)
C108	0.085 (5)	0.097 (5)	0.064 (4)	−0.010 (4)	−0.039 (4)	−0.029 (4)
C109	0.077 (5)	0.083 (5)	0.088 (5)	−0.030 (4)	−0.027 (4)	−0.028 (4)
C110	0.063 (4)	0.062 (3)	0.057 (3)	−0.030 (3)	−0.009 (3)	−0.011 (3)
C111	0.041 (3)	0.048 (3)	0.039 (3)	0.001 (2)	−0.007 (2)	−0.003 (2)
C112	0.040 (3)	0.042 (3)	0.033 (2)	0.003 (2)	0.002 (2)	0.005 (2)
C201	0.059 (3)	0.051 (3)	0.040 (3)	−0.013 (3)	−0.006 (2)	0.000 (2)
C202	0.072 (4)	0.051 (3)	0.056 (3)	−0.002 (3)	−0.006 (3)	0.000 (3)
C203	0.056 (4)	0.070 (4)	0.068 (4)	0.003 (3)	0.004 (3)	−0.015 (3)
C204	0.043 (3)	0.068 (4)	0.053 (3)	−0.012 (3)	0.009 (3)	−0.010 (3)
C205	0.057 (4)	0.086 (5)	0.077 (4)	−0.015 (4)	0.020 (3)	−0.008 (4)
C206	0.067 (4)	0.103 (5)	0.069 (4)	−0.037 (4)	0.025 (3)	−0.004 (4)
C207	0.057 (4)	0.068 (4)	0.040 (3)	−0.026 (3)	0.005 (2)	0.005 (3)
C208	0.085 (5)	0.081 (4)	0.049 (3)	−0.039 (4)	0.007 (3)	0.009 (3)
C209	0.086 (5)	0.058 (4)	0.049 (3)	−0.022 (3)	0.001 (3)	0.019 (3)
C210	0.055 (3)	0.057 (3)	0.047 (3)	−0.011 (3)	−0.005 (3)	0.008 (2)
C211	0.044 (3)	0.053 (3)	0.033 (2)	−0.017 (2)	−0.001 (2)	−0.002 (2)
C212	0.043 (3)	0.053 (3)	0.030 (2)	−0.015 (2)	−0.005 (2)	0.001 (2)
N1	0.043 (2)	0.042 (2)	0.037 (2)	−0.014 (2)	0.0013 (18)	0.0017 (17)
N2	0.051 (3)	0.043 (2)	0.037 (2)	−0.014 (2)	−0.0071 (18)	−0.0023 (17)
N3	0.042 (2)	0.048 (2)	0.0321 (19)	−0.016 (2)	−0.0053 (17)	−0.0028 (17)
N4	0.041 (2)	0.043 (2)	0.039 (2)	−0.010 (2)	−0.0012 (18)	0.0014 (17)
O1	0.047 (2)	0.048 (2)	0.0385 (17)	−0.0095 (17)	−0.0135 (15)	−0.0029 (14)
O2	0.096 (3)	0.061 (3)	0.085 (3)	0.015 (2)	−0.051 (3)	−0.029 (2)
O3	0.058 (3)	0.075 (3)	0.076 (3)	−0.025 (2)	0.006 (2)	−0.026 (2)
O4	0.063 (3)	0.105 (3)	0.068 (3)	−0.017 (3)	−0.005 (2)	0.005 (2)
OW1	0.052 (2)	0.046 (2)	0.0341 (17)	−0.0131 (18)	−0.0010 (16)	−0.0094 (15)
OW2	0.060 (3)	0.084 (3)	0.059 (2)	−0.010 (2)	−0.002 (2)	0.006 (2)
OW3	0.059 (3)	0.108 (4)	0.064 (3)	−0.026 (3)	−0.010 (2)	0.008 (2)
OW4	0.075 (3)	0.085 (3)	0.070 (3)	−0.033 (3)	−0.013 (3)	0.004 (2)
OW5	0.106 (4)	0.085 (3)	0.091 (3)	−0.021 (3)	−0.001 (3)	−0.010 (3)
OW6	0.092 (4)	0.135 (5)	0.125 (4)	−0.022 (4)	−0.008 (4)	0.004 (4)
OW7	0.098 (4)	0.107 (4)	0.091 (3)	−0.022 (3)	−0.005 (3)	−0.009 (3)
OW8	0.242 (7)	0.060 (3)	0.114 (4)	−0.031 (4)	−0.090 (5)	0.026 (3)
OW9	0.231 (8)	0.148 (6)	0.115 (5)	−0.100 (6)	0.000 (5)	0.005 (4)
Ni	0.0397 (4)	0.0413 (3)	0.0274 (3)	−0.0137 (3)	−0.0030 (2)	0.0006 (2)

Geometric parameters (Å, º)

C1—O2	1.254 (5)	C204—C212	1.400 (6)
C1—O1	1.257 (5)	C204—C205	1.407 (8)
C1—C2	1.487 (6)	C205—C206	1.368 (8)
C2—C2^i	1.305 (8)	C205—H205	0.9300
C2—H2	0.9300	C206—C207	1.428 (8)
C3—O3	1.248 (6)	C206—H206	0.9300
C3—O4	1.254 (6)	C207—C208	1.407 (7)
C3—C4	1.498 (7)	C207—C211	1.419 (6)
C4—C4^ii	1.305 (10)	C208—C209	1.358 (8)
C4—H4	0.9300	C208—H208	0.9300
C101—N1	1.312 (6)	C209—C210	1.394 (7)
C101—C102	1.409 (7)	C209—H209	0.9300
C101—H101	0.9300	C210—N4	1.343 (6)
C102—C103	1.364 (8)	C210—H210	0.9300
C102—H102	0.9300	C211—N4	1.348 (6)
C103—C104	1.385 (9)	C211—C212	1.447 (6)
C103—H103	0.9300	C212—N3	1.360 (6)
C104—C112	1.411 (6)	Ni—O1	2.070 (3)
C104—C105	1.439 (8)	Ni—OW1	2.068 (4)
C105—C106	1.335 (9)	Ni—N1	2.094 (4)
C105—H105	0.9300	Ni—N2	2.102 (4)
C106—C107	1.440 (9)	Ni—N3	2.086 (4)
C106—H106	0.9300	Ni—N4	2.102 (4)
C107—C108	1.389 (9)	OW1—H11	0.80 (2)
C107—C111	1.414 (7)	OW1—H12	0.79 (2)
C108—C109	1.352 (9)	OW2—H21	0.80 (2)
C108—H108	0.9300	OW2—H22	0.80 (2)
C109—C110	1.398 (7)	OW3—H31	0.80 (2)
C109—H109	0.9300	OW3—H32	0.82 (4)
C110—N2	1.315 (6)	OW4—H41	0.82 (2)
C110—H110	0.9300	OW4—H42	0.84 (2)
C111—N2	1.368 (6)	OW5—H51	0.81 (4)
C111—C112	1.425 (7)	OW5—H52	0.786 (19)
C112—N1	1.346 (5)	OW6—H61	0.996 (16)
C201—N3	1.329 (6)	OW6—H62	0.824 (19)
C201—C202	1.400 (7)	OW7—H71	0.744 (19)
C201—H201	0.9300	OW7—H72	0.979 (16)
C202—C203	1.355 (8)	OW8—H81	0.716 (19)
C202—H202	0.9300	OW8—H82	0.772 (19)
C203—C204	1.422 (8)	OW9—H91	0.765 (19)
C203—H203	0.9300	OW9—H92	0.797 (15)
O2—C1—O1	124.9 (4)	C204—C205—H205	119.5
O2—C1—C2	119.4 (4)	C205—C206—C207	121.1 (5)
O1—C1—C2	115.7 (4)	C205—C206—H206	119.4
C2^i—C2—C1	124.0 (6)	C207—C206—H206	119.4
C2^i—C2—H2	118.0	C208—C207—C211	116.7 (5)
C1—C2—H2	118.0	C208—C207—C206	124.1 (5)
O3—C3—O4	123.7 (5)	C211—C207—C206	119.2 (5)
O3—C3—C4	120.8 (5)	C209—C208—C207	120.0 (5)
O4—C3—C4	115.5 (5)	C209—C208—H208	120.0
C4^ii—C4—C3	123.4 (7)	C207—C208—H208	120.0
C4^ii—C4—H4	118.3	C208—C209—C210	119.1 (5)
C3—C4—H4	118.3	C208—C209—H209	120.4
N1—C101—C102	122.8 (5)	C210—C209—H209	120.4
N1—C101—H101	118.6	N4—C210—C209	123.7 (5)
C102—C101—H101	118.6	N4—C210—H210	118.2
C103—C102—C101	118.4 (6)	C209—C210—H210	118.2
C103—C102—H102	120.8	N4—C211—C207	123.7 (5)
C101—C102—H102	120.8	N4—C211—C212	117.7 (4)
C102—C103—C104	120.5 (5)	C207—C211—C212	118.6 (5)
C102—C103—H103	119.8	N3—C212—C204	123.1 (4)
C104—C103—H103	119.8	N3—C212—C211	116.7 (4)
C103—C104—C112	117.1 (5)	C204—C212—C211	120.2 (4)
C103—C104—C105	124.9 (6)	C101—N1—C112	118.6 (4)
C112—C104—C105	118.0 (6)	C101—N1—Ni	128.2 (3)
C106—C105—C104	122.6 (6)	C112—N1—Ni	113.1 (3)
C106—C105—H105	118.7	C110—N2—C111	118.8 (4)
C104—C105—H105	118.7	C110—N2—Ni	129.0 (3)
C105—C106—C107	120.7 (6)	C111—N2—Ni	112.2 (3)
C105—C106—H106	119.6	C201—N3—C212	118.2 (4)
C107—C106—H106	119.6	C201—N3—Ni	128.6 (3)
C108—C107—C111	117.3 (5)	C212—N3—Ni	113.2 (3)
C108—C107—C106	124.5 (6)	C210—N4—C211	116.8 (4)
C111—C107—C106	118.2 (6)	C210—N4—Ni	130.6 (3)
C109—C108—C107	120.2 (5)	C211—N4—Ni	112.6 (3)
C109—C108—H108	119.9	C1—O1—Ni	127.1 (3)
C107—C108—H108	119.9	Ni—OW1—H11	112 (3)
C108—C109—C110	119.8 (6)	Ni—OW1—H12	94 (3)
C108—C109—H109	120.1	H11—OW1—H12	124 (5)
C110—C109—H109	120.1	H21—OW2—H22	110 (5)
N2—C110—C109	122.1 (5)	H31—OW3—H32	101 (5)
N2—C110—H110	118.9	H41—OW4—H42	89 (5)
C109—C110—H110	118.9	H51—OW5—H52	107 (3)
N2—C111—C107	121.7 (5)	H61—OW6—H62	95 (2)
N2—C111—C112	117.5 (4)	H71—OW7—H72	93 (2)
C107—C111—C112	120.8 (5)	H81—OW8—H82	120 (4)
N1—C112—C104	122.7 (5)	H91—OW9—H92	99 (2)
N1—C112—C111	117.7 (4)	O1—Ni—Ow1	90.76 (13)
C104—C112—C111	119.6 (5)	O1—Ni—N1	91.27 (14)
N3—C201—C202	122.8 (5)	O1—Ni—N2	170.68 (14)
N3—C201—H201	118.6	O1—Ni—N3	87.76 (13)
C202—C201—H201	118.6	O1—Ni—N4	94.03 (14)
C203—C202—C201	119.1 (5)	OW1—Ni—N1	90.74 (14)
C203—C202—H202	120.4	OW1—Ni—N2	90.70 (14)
C201—C202—H202	120.4	OW1—Ni—N3	172.94 (14)
C202—C203—C204	120.3 (5)	OW1—Ni—N4	93.49 (14)
C202—C203—H203	119.9	N1—Ni—N2	79.51 (15)
C204—C203—H203	119.9	N1—Ni—N3	96.19 (15)
C212—C204—C205	119.8 (5)	N1—Ni—N4	173.17 (15)
C212—C204—C203	116.5 (5)	N2—Ni—N3	91.88 (15)
C205—C204—C203	123.7 (5)	N2—Ni—N4	95.07 (15)
C206—C205—C204	121.0 (6)	N3—Ni—N4	79.74 (15)
C206—C205—H205	119.5

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

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
OW1—H12···O2	0.79 (2)	1.88 (2)	2.648 (5)	163 (5)
OW1—H11···O3^iii	0.80 (2)	1.94 (2)	2.727 (5)	170 (5)
OW2—H22···OW3^iv	0.80 (2)	2.00 (2)	2.799 (6)	170 (5)
OW2—H21···OW3^v	0.80 (2)	2.04 (3)	2.789 (6)	157 (5)
OW3—H31···O4^vi	0.80 (2)	1.94 (2)	2.735 (6)	178 (5)
OW3—H32···OW7	0.82 (4)	2.04 (2)	2.808 (7)	157 (4)
OW4—H42···O3^iii	0.84 (2)	2.00 (2)	2.823 (6)	168 (5)
OW4—H41···OW2^vii	0.82 (2)	2.06 (3)	2.800 (6)	150 (5)
OW5—H52···O4	0.79 (2)	2.18 (3)	2.780 (7)	133 (3)
OW5—H51···OW6	0.81 (4)	2.12 (2)	2.871 (8)	154 (4)
OW6—H62···O2^viii	0.82 (2)	2.17 (2)	2.960 (7)	159 (4)
OW7—H71···OW4^vi	0.74 (2)	2.30 (3)	2.914 (7)	141 (5)
OW7—H72···OW6^vi	0.98 (2)	2.00 (3)	2.815 (8)	139 (4)
OW8—H82···O1^vii	0.77 (2)	2.22 (2)	2.978 (6)	167 (4)
OW8—H81···OW4	0.72 (2)	2.09 (2)	2.784 (6)	163 (4)
OW9—H92···OW5	0.80 (2)	2.18 (2)	2.755 (8)	129 (2)
OW9—H91···OW8^viii	0.77 (2)	2.75 (4)	2.941 (10)	97 (3)

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