Di­aqua­bis­(propane-1,2-di­amine-κ²N,N′)copper(II) terephthalate dihydrate

The title compound, [Cu(C₃H₁₀N₂)₂(H₂O)₂](C₈H₄O₄)·2H₂O, is a mononuclear complex. The Cu^II atom is coordinated by four N atoms from two 1,2-propane­di­amine ligands and two O atoms from two water mol­ecules, to form a distorted octahedral geometry. All the N atoms of the 1,2-propane­di­amine ligands, and all the O atoms in the water mol­ecules and terephthalate anions, contribute to the formation of a hydrogen-bonded three-dimensional network.

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean [sigma](C-C) = 0.005 Å
• R factor = 0.047
• wR factor = 0.141
• Data-to-parameter ratio = 17.6

checkCIF/PLATON results

No syntax errors found



Alert level B
SYMMS02_ALERT_1_B  All angles should not be 90 for a monoclinic cell
  Cell      40.9220    6.8025   15.1510
  Angles    90.0000   90.0000   90.0000
PLAT417_ALERT_2_B Short Inter D-H..H-D       H2WB   ..  H3WA    ..       1.96 Ang.

Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         C5
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Cu1
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         N3
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.77
PLAT301_ALERT_3_C Main Residue  Disorder .........................       2.00 Perc.
PLAT360_ALERT_2_C Short  C(sp3)-C(sp3) Bond  C4     -   C5     ...       1.42 Ang.
PLAT432_ALERT_2_C Short Inter X...Y Contact  C3     ..  C3      ..       3.16 Ang.
PLAT432_ALERT_2_C Short Inter X...Y Contact  C3'    ..  C3'     ..       3.15 Ang.
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........         11

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

   3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   8 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
   1 ALERT type 4 Improvement, methodology, query or suggestion

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Computing details

Data collection: SMART (Siemens, 1996); cell refinement: SMART; data reduction: SAINT (Siemens, 1996); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a); molecular graphics: SHELXTL (Sheldrick, 1997b); software used to prepare material for publication: SHELXTL.

Diaquabis(propane-1,2-diamine-κ²N,N')copper(II) terephthalate dihydrate

Crystal data

[Cu(C3H10N2)2(H2O)2](C8H4O4)·2H2O	F(000) = 1896
Mr = 447.98	Dx = 1.411 Mg m^−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2yc	Cell parameters from 1200 reflections
a = 40.922 (6) Å	θ = 2.3–26.5°
b = 6.8025 (9) Å	µ = 1.08 mm^−1
c = 15.151 (2) Å	T = 295 K
β = 90.000 (2)°	Block, blue
V = 4217.7 (10) Å^3	0.39 × 0.34 × 0.27 mm
Z = 8

Data collection

Bruker SMART CCD area-detector diffractometer	4892 independent reflections
Radiation source: fine-focus sealed tube	3976 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.042
φ and ω scans	θmax = 28.3°, θmin = 2.0°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −53→48
Tmin = 0.663, Tmax = 0.748	k = −8→8
12723 measured reflections	l = −19→17

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)] = 0.047	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.141	H atoms treated by a mixture of independent and constrained refinement
S = 1.10	w = 1/[σ^2(Fo^2) + (0.0763P)^2 + 3.3497P] where P = (Fo^2 + 2Fc^2)/3
4892 reflections	(Δ/σ)max = 0.001
278 parameters	Δρmax = 0.97 e Å^−3
13 restraints	Δρmin = −0.56 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	Occ. (<1)
Cu1	0.369880 (7)	0.39061 (4)	0.24764 (2)	0.03873 (13)
O1W	0.35891 (7)	0.3792 (4)	0.09367 (15)	0.0677 (7)
H1WA	0.3623 (10)	0.459 (5)	0.053 (2)	0.102*
H1WB	0.3431 (8)	0.307 (5)	0.079 (3)	0.102*
O2W	0.38421 (7)	0.4315 (4)	0.43384 (19)	0.0720 (7)
H2WA	0.3985 (8)	0.521 (4)	0.440 (3)	0.108*
H2WB	0.3915 (10)	0.338 (4)	0.465 (3)	0.108*
N1	0.40861 (5)	0.5678 (4)	0.22827 (17)	0.0476 (5)
H1A	0.4037	0.6607	0.1881	0.057*
H1B	0.4142	0.6276	0.2791	0.057*
N2	0.40383 (6)	0.1755 (4)	0.24829 (17)	0.0518 (6)
H2A	0.4019	0.1041	0.2980	0.062*
H2B	0.4006	0.0950	0.2020	0.062*
N3	0.33701 (5)	0.6044 (3)	0.26563 (16)	0.0422 (5)
H3A	0.3455	0.6982	0.3007	0.051*
H3B	0.3320	0.6595	0.2134	0.051*
N4	0.33212 (5)	0.2090 (3)	0.27078 (16)	0.0478 (5)
H4A	0.3302	0.1217	0.2264	0.057*
H4B	0.3355	0.1423	0.3213	0.057*
C1	0.43612 (8)	0.4437 (6)	0.1961 (3)	0.0745 (10)
H1C	0.4564	0.5121	0.2039	0.089*	0.528 (9)
H1D	0.4332	0.4178	0.1344	0.089*	0.528 (9)
H1E	0.4308	0.4103	0.1364	0.089*	0.472 (9)
C2	0.43677 (9)	0.2594 (6)	0.2434 (3)	0.0819 (12)
H2C	0.4422	0.2949	0.3029	0.098*	0.528 (9)
H2D	0.4512	0.1684	0.2146	0.098*	0.472 (9)
H2E	0.4448	0.2823	0.3019	0.098*	0.472 (9)
C3	0.46350 (18)	0.1288 (12)	0.2163 (6)	0.082 (3)	0.528 (9)
H3C	0.4836	0.2011	0.2155	0.123*	0.528 (9)
H3D	0.4591	0.0781	0.1583	0.123*	0.528 (9)
H3E	0.4652	0.0217	0.2573	0.123*	0.528 (9)
C3'	0.46802 (18)	0.5412 (16)	0.1923 (7)	0.093 (3)	0.472 (9)
H3'A	0.4841	0.4503	0.1710	0.140*	0.472 (9)
H3'B	0.4740	0.5854	0.2503	0.140*	0.472 (9)
H3'C	0.4668	0.6520	0.1532	0.140*	0.472 (9)
C4	0.30729 (8)	0.5234 (5)	0.3064 (3)	0.0787 (11)
H4	0.3129	0.5102	0.3690	0.094*
C5	0.30203 (9)	0.3275 (6)	0.2777 (4)	0.0873 (14)
H5A	0.2915	0.3307	0.2204	0.105*
H5B	0.2872	0.2634	0.3185	0.105*
C6	0.27894 (8)	0.6596 (6)	0.3058 (3)	0.0675 (9)
H6A	0.2606	0.5972	0.3336	0.101*
H6B	0.2735	0.6924	0.2460	0.101*
H6C	0.2845	0.7772	0.3375	0.101*
O1	0.32321 (6)	0.1012 (3)	0.62145 (16)	0.0642 (6)
O2	0.30783 (6)	−0.1514 (3)	0.53879 (16)	0.0607 (6)
C7	0.30461 (6)	0.0199 (4)	0.56629 (17)	0.0453 (6)
C8	0.27638 (6)	0.1405 (4)	0.53161 (16)	0.0369 (5)
C9	0.25089 (7)	0.0486 (4)	0.48721 (17)	0.0421 (5)
H9	0.2514	−0.0866	0.4782	0.051*
C10	0.27535 (6)	0.3420 (4)	0.54371 (17)	0.0417 (6)
H10	0.2924	0.4048	0.5729	0.050*
O3	0.43356 (6)	−0.2875 (5)	0.4057 (2)	0.0968 (10)
O4	0.41353 (6)	0.0079 (5)	0.43777 (17)	0.0802 (8)
C11	0.43600 (9)	−0.1175 (6)	0.4346 (2)	0.0682 (10)
C12	0.46934 (7)	−0.0537 (6)	0.4687 (2)	0.0598 (8)
C13	0.49426 (9)	−0.1917 (6)	0.4764 (3)	0.0717 (10)
H13	0.4905	−0.3217	0.4603	0.086*
C14	0.47519 (8)	0.1361 (6)	0.4920 (3)	0.0704 (10)
H14	0.4587	0.2292	0.4867	0.084*
O3W	0.38987 (6)	0.1166 (4)	0.60519 (19)	0.0687 (7)
H3WA	0.3953 (10)	0.128 (7)	0.5526 (11)	0.103*
H3WB	0.3696 (3)	0.119 (7)	0.611 (3)	0.103*
O4W	0.35152 (6)	0.9047 (3)	0.39657 (15)	0.0556 (5)
H4WA	0.3384 (7)	0.883 (6)	0.4378 (18)	0.083*
H4WB	0.3704 (4)	0.917 (6)	0.416 (2)	0.083*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cu1	0.03599 (19)	0.03382 (19)	0.0464 (2)	−0.00286 (11)	−0.00337 (13)	0.00009 (12)
O1W	0.0771 (16)	0.0832 (18)	0.0429 (11)	−0.0343 (13)	−0.0128 (11)	0.0017 (10)
O2W	0.0788 (17)	0.0593 (15)	0.0780 (17)	0.0014 (12)	0.0016 (14)	0.0057 (13)
N1	0.0397 (12)	0.0484 (13)	0.0547 (13)	−0.0066 (10)	−0.0067 (10)	0.0042 (10)
N2	0.0507 (13)	0.0482 (13)	0.0566 (14)	0.0070 (11)	−0.0038 (11)	−0.0009 (11)
N3	0.0399 (11)	0.0386 (11)	0.0482 (12)	−0.0015 (8)	−0.0001 (9)	0.0009 (9)
N4	0.0479 (12)	0.0400 (12)	0.0555 (13)	−0.0096 (10)	−0.0084 (10)	0.0053 (10)
C1	0.0477 (17)	0.068 (2)	0.108 (3)	0.0028 (16)	0.0121 (18)	0.012 (2)
C2	0.0525 (19)	0.069 (2)	0.125 (3)	0.0087 (17)	0.009 (2)	0.000 (2)
C3	0.064 (5)	0.089 (6)	0.092 (6)	0.028 (4)	0.000 (4)	−0.011 (4)
C3'	0.044 (4)	0.119 (8)	0.116 (8)	−0.011 (4)	0.012 (4)	0.028 (6)
C4	0.0512 (18)	0.064 (2)	0.121 (3)	0.0028 (16)	0.027 (2)	0.017 (2)
C5	0.0485 (19)	0.063 (2)	0.150 (4)	−0.0134 (17)	0.020 (2)	0.006 (3)
C6	0.0454 (17)	0.084 (2)	0.073 (2)	0.0110 (16)	0.0081 (15)	0.0082 (18)
O1	0.0595 (13)	0.0668 (15)	0.0661 (14)	0.0198 (10)	−0.0266 (11)	−0.0143 (11)
O2	0.0598 (13)	0.0490 (12)	0.0733 (14)	0.0176 (10)	−0.0140 (11)	−0.0032 (10)
C7	0.0422 (13)	0.0524 (16)	0.0413 (13)	0.0100 (12)	−0.0055 (11)	0.0037 (11)
C8	0.0397 (12)	0.0368 (12)	0.0341 (11)	0.0041 (9)	−0.0042 (9)	0.0032 (9)
C9	0.0515 (14)	0.0318 (11)	0.0430 (13)	0.0024 (11)	−0.0084 (11)	−0.0008 (10)
C10	0.0434 (13)	0.0386 (13)	0.0432 (13)	−0.0028 (10)	−0.0109 (11)	−0.0008 (10)
O3	0.0631 (16)	0.122 (3)	0.105 (2)	−0.0279 (17)	−0.0151 (15)	−0.034 (2)
O4	0.0477 (13)	0.120 (2)	0.0732 (16)	−0.0095 (15)	−0.0165 (11)	−0.0001 (16)
C11	0.0495 (18)	0.107 (3)	0.0485 (17)	−0.0240 (19)	−0.0139 (14)	−0.0034 (17)
C12	0.0470 (16)	0.084 (2)	0.0482 (16)	−0.0135 (15)	−0.0159 (13)	0.0028 (15)
C13	0.061 (2)	0.076 (2)	0.078 (2)	−0.0179 (18)	−0.0207 (17)	−0.0041 (19)
C14	0.0497 (18)	0.084 (3)	0.077 (2)	−0.0069 (16)	−0.0211 (16)	−0.0005 (19)
O3W	0.0618 (14)	0.0603 (15)	0.0841 (17)	0.0013 (11)	−0.0139 (13)	−0.0127 (13)
O4W	0.0547 (12)	0.0603 (13)	0.0519 (12)	−0.0035 (10)	−0.0111 (10)	0.0037 (10)

Geometric parameters (Å, º)

Cu1—N3	2.000 (2)	C3'—H3'A	0.96
Cu1—N4	2.009 (2)	C3'—H3'B	0.96
Cu1—N1	2.013 (2)	C3'—H3'C	0.96
Cu1—N2	2.018 (2)	C4—C5	1.418 (5)
Cu1—O1W	2.377 (2)	C4—C6	1.485 (5)
Cu1—O2W	2.895 (3)	C4—H4	0.98
O1W—H1WA	0.83 (3)	C5—H5A	0.97
O1W—H1WB	0.84 (3)	C5—H5B	0.97
O2W—H2WA	0.85 (3)	C6—H6A	0.96
O2W—H2WB	0.85 (4)	C6—H6B	0.96
N1—C1	1.489 (4)	C6—H6C	0.96
N1—H1A	0.90	O1—C7	1.259 (3)
N1—H1B	0.90	O2—C7	1.244 (4)
N2—C2	1.465 (4)	C7—C8	1.511 (3)
N2—H2A	0.90	C8—C10	1.384 (4)
N2—H2B	0.90	C8—C9	1.390 (4)
N3—C4	1.472 (4)	C9—C10^i	1.388 (4)
N3—H3A	0.90	C9—H9	0.93
N3—H3B	0.90	C10—C9^i	1.388 (4)
N4—C5	1.475 (4)	C10—H10	0.93
N4—H4A	0.90	O3—C11	1.240 (5)
N4—H4B	0.90	O4—C11	1.256 (5)
C1—C2	1.444 (6)	C11—C12	1.522 (4)
C1—C3'	1.466 (8)	C12—C14	1.359 (5)
C1—H1C	0.96	C12—C13	1.391 (5)
C1—H1D	0.96	C13—C14^ii	1.391 (4)
C1—H1E	0.96	C13—H13	0.93
C2—C3	1.468 (7)	C14—C13^ii	1.391 (4)
C2—H2C	0.96	C14—H14	0.93
C2—H2D	0.96	O3W—H3WA	0.83 (2)
C2—H2E	0.96	O3W—H3WB	0.83 (1)
C3—H3C	0.96	O4W—H4WA	0.84 (3)
C3—H3D	0.96	O4W—H4WB	0.83 (2)
C3—H3E	0.96
N3—Cu1—N4	84.61 (9)	C1—C2—H2E	108.9
N3—Cu1—N1	96.55 (10)	N2—C2—H2E	109.4
N4—Cu1—N1	177.84 (9)	C3—C2—H2E	95.8
N3—Cu1—N2	171.85 (10)	H2D—C2—H2E	108.3
N4—Cu1—N2	94.75 (10)	C2—C3—H3C	109.5
N1—Cu1—N2	83.84 (10)	H2D—C3—H3C	120.9
N3—Cu1—O1W	91.75 (10)	C2—C3—H3D	109.5
N4—Cu1—O1W	90.34 (9)	H2D—C3—H3D	87.9
N1—Cu1—O1W	91.44 (9)	H3C—C3—H3D	109.5
N2—Cu1—O1W	96.38 (10)	C2—C3—H3E	109.5
N3—Cu1—O2W	86.19 (9)	H2D—C3—H3E	116.9
N4—Cu1—O2W	92.57 (9)	H3C—C3—H3E	109.5
N1—Cu1—O2W	85.70 (9)	H3D—C3—H3E	109.5
N2—Cu1—O2W	85.72 (9)	C1—C3'—H3'A	109.5
O1W—Cu1—O2W	176.26 (8)	H1C—C3'—H3'A	118.3
Cu1—O1W—H1WA	132 (3)	C1—C3'—H3'B	109.5
Cu1—O1W—H1WB	115 (3)	H1C—C3'—H3'B	92.3
H1WA—O1W—H1WB	108 (2)	H3'A—C3'—H3'B	109.5
Cu1—O2W—H2WA	108 (3)	C1—C3'—H3'C	109.5
Cu1—O2W—H2WB	123 (3)	H1C—C3'—H3'C	116.2
H2WA—O2W—H2WB	104 (2)	H3'A—C3'—H3'C	109.5
C1—N1—Cu1	107.7 (2)	H3'B—C3'—H3'C	109.5
C1—N1—H1A	110.2	C5—C4—N3	110.4 (3)
Cu1—N1—H1A	110.2	C5—C4—C6	117.8 (4)
C1—N1—H1B	110.2	N3—C4—C6	114.2 (3)
Cu1—N1—H1B	110.2	C5—C4—H4	104.3
H1A—N1—H1B	108.5	N3—C4—H4	104.3
C2—N2—Cu1	110.5 (2)	C6—C4—H4	104.3
C2—N2—H2A	109.5	C4—C5—N4	114.1 (3)
Cu1—N2—H2A	109.5	C4—C5—H5A	108.7
C2—N2—H2B	109.5	N4—C5—H5A	108.7
Cu1—N2—H2B	109.5	C4—C5—H5B	108.7
H2A—N2—H2B	108.1	N4—C5—H5B	108.7
C4—N3—Cu1	109.93 (18)	H5A—C5—H5B	107.6
C4—N3—H3A	109.7	C4—C6—H6A	109.5
Cu1—N3—H3A	109.7	C4—C6—H6B	109.5
C4—N3—H3B	109.7	H6A—C6—H6B	109.5
Cu1—N3—H3B	109.7	C4—C6—H6C	109.5
H3A—N3—H3B	108.2	H6A—C6—H6C	109.5
C5—N4—Cu1	108.56 (18)	H6B—C6—H6C	109.5
C5—N4—H4A	110.0	O2—C7—O1	124.7 (2)
Cu1—N4—H4A	110.0	O2—C7—C8	118.2 (2)
C5—N4—H4B	110.0	O1—C7—C8	117.0 (2)
Cu1—N4—H4B	110.0	C10—C8—C9	119.1 (2)
H4A—N4—H4B	108.4	C10—C8—C7	121.0 (2)
C2—C1—C3'	113.4 (5)	C9—C8—C7	119.9 (2)
C2—C1—N1	110.1 (3)	C10^i—C9—C8	120.2 (2)
C3'—C1—N1	115.4 (5)	C10^i—C9—H9	119.9
C2—C1—H1C	110.1	C8—C9—H9	119.9
N1—C1—H1C	109.8	C8—C10—C9^i	120.7 (2)
C2—C1—H1D	109.1	C8—C10—H10	119.7
C3'—C1—H1D	98.9	C9^i—C10—H10	119.7
N1—C1—H1D	109.3	O3—C11—O4	126.0 (3)
H1C—C1—H1D	108.4	O3—C11—C12	117.2 (4)
C2—C1—H1E	105.5	O4—C11—C12	116.7 (3)
C3'—C1—H1E	105.8	C14—C12—C13	119.4 (3)
N1—C1—H1E	105.7	C14—C12—C11	121.1 (3)
H1C—C1—H1E	115.4	C13—C12—C11	119.5 (3)
C1—C2—N2	110.3 (3)	C12—C13—C14^ii	120.2 (4)
C1—C2—C3	113.6 (5)	C12—C13—H13	119.9
N2—C2—C3	117.6 (5)	C14^ii—C13—H13	119.9
C1—C2—H2C	104.6	C12—C14—C13^ii	120.4 (4)
N2—C2—H2C	105.2	C12—C14—H14	119.8
C3—C2—H2C	104.1	C13^ii—C14—H14	119.8
C1—C2—H2D	110.2	H3WA—O3W—H3WB	111 (3)
N2—C2—H2D	109.7	H4WA—O4W—H4WB	110 (2)
H2C—C2—H2D	116.6
C3'—C1—C2—N2	177.2 (6)	C9—C8—C10—C9^i	0.6 (4)
N1—C1—C2—N2	46.1 (5)	C7—C8—C10—C9^i	−179.0 (2)
N1—C1—C2—C3	−179.3 (5)	O3—C11—C12—C14	172.3 (4)
N3—C4—C5—N4	39.8 (5)	O4—C11—C12—C14	−7.2 (5)
C6—C4—C5—N4	173.4 (3)	O3—C11—C12—C13	−7.7 (5)
O2—C7—C8—C10	−165.6 (3)	O4—C11—C12—C13	172.7 (3)
O1—C7—C8—C10	14.5 (4)	C14—C12—C13—C14^ii	0.3 (6)
O2—C7—C8—C9	14.7 (4)	C11—C12—C13—C14^ii	−179.6 (3)
O1—C7—C8—C9	−165.2 (3)	C13—C12—C14—C13^ii	−0.3 (6)
C10—C8—C9—C10^i	−0.6 (4)	C11—C12—C14—C13^ii	179.6 (3)
C7—C8—C9—C10^i	179.1 (2)

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

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H1WA···O2W^iii	0.83 (3)	2.15 (3)	2.932 (4)	156 (3)
N1—H1A···O3W^iii	0.90	2.05	2.945 (4)	175
N1—H1B···O3^iv	0.90	2.15	3.039 (4)	167
O1W—H1WB···O2^v	0.84 (3)	1.89 (4)	2.732 (4)	176 (4)
N2—H2A···O4	0.90	2.27	3.114 (4)	157
N2—H2B···O3W^v	0.90	2.10	2.996 (4)	173
O2W—H2WA···O3^iv	0.85 (3)	2.01 (3)	2.813 (4)	158 (4)
N3—H3A···O4W	0.90	2.04	2.909 (3)	163
N3—H3B···O1^iii	0.90	2.17	3.017 (3)	156
O2W—H2WB···O4	0.85 (4)	2.45 (3)	3.122 (4)	136 (4)
N4—H4A···O1^v	0.90	2.22	3.115 (3)	177
N4—H4B···O4W^vi	0.90	2.08	2.924 (3)	155
O3W—H3WA···O4	0.83 (2)	2.06 (3)	2.814 (4)	150 (4)
O3W—H3WB···O1	0.83 (1)	1.91 (1)	2.741 (3)	175 (5)
O4W—H4WA···O2^iv	0.84 (3)	1.99 (3)	2.826 (3)	176 (2)
O4W—H4WB···O4^iv	0.83 (2)	1.90 (2)	2.706 (4)	163 (4)

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