Tetra­kis(diethyl­enetriammonium) tris­[hexa­cyano­ferrate(II)] octa­hydrate

The asymmetric unit of the title complex, (C₄H₁₆N₃)₄[Fe(CN)₆]₃·8H₂O, comprises two [H₃N(CH₂)₂NH₂(CH₂)₂NH₃]³⁺ cations, 1.5 octa­hedral [Fe(CN)₆]⁴⁻ anions and four solvent water mol­ecules; one anion is located on a center of inversion. Extensive hydrogen bonding of the types O—H...O, N and N—H...N, involving all components of the structure, leads to a three-dimensional array.

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean [sigma](C-C) = 0.002 Å
• R factor = 0.026
• wR factor = 0.073
• Data-to-parameter ratio = 14.2

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Fe1    -   C1      ..      12.91 su
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Fe1    -   C2      ..      10.92 su
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Fe1    -   C3      ..      11.81 su
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Fe2    -   C4      ..      10.53 su
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Fe2    -   C6      ..      10.79 su
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Fe2    -   C7      ..      10.17 su
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Fe2    -   C8      ..      11.86 su
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Fe2    -   C9      ..      12.31 su

Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.44
PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature        293 K
PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature .        293 K
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Fe2    -   C5      ..       9.19 su

   0 ALERT level A = In general: serious problem
   8 ALERT level B = Potentially serious problem
   5 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
  10 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 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 (Siemens, 1996); cell refinement: SAINT (Siemens, 1996); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.

Tetrakis(diethylenetriammonium) tris(hexacyanoferrate(II)) octahydrate

Crystal data

(C4H16N3)4[Fe(CN)6]3·8H2O	Z = 1
Mr = 1204.76	F(000) = 636
Triclinic, P1	Dx = 1.445 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 9.4971 (16) Å	Cell parameters from 3961 reflections
b = 9.6841 (16) Å	θ = 2.2–28.3°
c = 16.098 (3) Å	µ = 0.85 mm^−1
α = 106.158 (2)°	T = 293 K
β = 102.418 (2)°	Block, brown
γ = 90.951 (2)°	0.48 × 0.33 × 0.15 mm
V = 1384.2 (4) Å^3

Data collection

Siemens SMART CCD area-detector diffractometer	4817 independent reflections
Radiation source: fine-focus sealed tube	4504 reflections with I > σ(I)
Graphite monochromator	Rint = 0.019
φ and ω scans	θmax = 25.0°, θmin = 1.4°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −12→12
Tmin = 0.686, Tmax = 0.883	k = −12→12
12848 measured reflections	l = −20→21

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)] = 0.026	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.073	H-atom parameters constrained
S = 1.05	w = 1/[σ^2(Fo^2) + (0.0428P)^2 + 0.3465P] where P = (Fo^2 + 2Fc^2)/3
4817 reflections	(Δ/σ)max = 0.001
340 parameters	Δρmax = 0.44 e Å^−3
12 restraints	Δρmin = −0.18 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
Fe1	0.0000	0.5000	0.5000	0.01852 (9)
Fe2	0.33016 (2)	0.90597 (2)	0.212698 (13)	0.02204 (8)
O1	0.96016 (4)	0.81079 (16)	0.31869 (3)	0.0487 (3)
H1A	0.9668	0.8103	0.3721	0.073*
H1B	1.0346	0.8008	0.2969	0.073*
O2	0.03066 (9)	0.15171 (19)	0.05853 (7)	0.0737 (5)
H2A	0.1029	0.1130	0.0813	0.110*
H2B	0.0295	0.1743	0.0110	0.110*
O3	0.18600 (19)	0.47018 (6)	0.13099 (7)	0.0769 (5)
H3A	0.1754	0.5564	0.1292	0.115*
H3B	0.2217	0.4122	0.0922	0.115*
O4	0.3399 (2)	0.30361 (6)	0.01345 (10)	0.0859 (6)
H4A	0.3876	0.3051	−0.0253	0.129*
H4B	0.3265	0.2257	0.0263	0.129*
N1	0.09756 (16)	0.55985 (16)	0.70196 (9)	0.0366 (3)
N2	0.00177 (15)	0.82285 (15)	0.51174 (10)	0.0321 (3)
N3	0.31727 (15)	0.52079 (16)	0.48799 (10)	0.0345 (3)
N4	0.60134 (15)	1.07241 (16)	0.34690 (10)	0.0362 (3)
N5	0.14545 (16)	1.14738 (16)	0.28382 (11)	0.0392 (4)
N6	0.34737 (19)	1.06064 (19)	0.07194 (11)	0.0483 (4)
N7	0.04114 (17)	0.74017 (18)	0.10334 (11)	0.0455 (4)
N8	0.53539 (17)	0.68296 (17)	0.13990 (11)	0.0434 (4)
N9	0.28563 (15)	0.76744 (15)	0.35490 (9)	0.0324 (3)
N10	0.74796 (14)	0.97869 (14)	0.49729 (9)	0.0300 (3)
H10A	0.8380	0.9536	0.4987	0.045*
H10B	0.7467	1.0491	0.5463	0.045*
H10C	0.7163	1.0094	0.4499	0.045*
N11	0.53279 (13)	0.61909 (13)	0.39521 (8)	0.0253 (3)
H11A	0.4469	0.6551	0.3990	0.038*
H11B	0.5605	0.5802	0.4403	0.038*
N12	0.25871 (15)	0.42027 (15)	0.29239 (10)	0.0333 (3)
H12A	0.2012	0.3452	0.2901	0.050*
H12B	0.2311	0.4458	0.2427	0.050*
H12C	0.2529	0.4939	0.3388	0.050*
N13	0.82010 (16)	0.56890 (15)	0.14503 (10)	0.0355 (3)
H13A	0.8558	0.5481	0.1955	0.053*
H13B	0.7355	0.6062	0.1471	0.053*
H13C	0.8815	0.6325	0.1377	0.053*
N14	0.80392 (15)	0.23027 (14)	0.13665 (9)	0.0304 (3)
H14A	0.8458	0.2910	0.1902	0.046*
H14B	0.8746	0.1919	0.1103	0.046*
N15	0.86213 (15)	0.07151 (17)	0.28637 (10)	0.0365 (3)
H15A	0.7928	0.1069	0.3137	0.055*
H15B	0.9299	0.1418	0.2949	0.055*
H15C	0.9014	0.0027	0.3085	0.055*
C1	0.06016 (16)	0.53928 (15)	0.62586 (10)	0.0230 (3)
C2	0.00060 (15)	0.70183 (16)	0.50956 (9)	0.0222 (3)
C3	0.19758 (16)	0.51189 (16)	0.49284 (9)	0.0234 (3)
C4	0.49947 (17)	1.01287 (17)	0.29444 (10)	0.0262 (3)
C5	0.21623 (16)	1.05562 (17)	0.25841 (10)	0.0261 (3)
C6	0.34485 (17)	1.00077 (18)	0.12457 (11)	0.0292 (3)
C7	0.15299 (18)	0.80080 (17)	0.14035 (10)	0.0281 (3)
C8	0.45392 (17)	0.76218 (17)	0.16523 (10)	0.0285 (3)
C9	0.30539 (15)	0.81734 (16)	0.29993 (10)	0.0241 (3)
C10	0.65290 (18)	0.85215 (18)	0.49232 (11)	0.0316 (4)
H10D	0.5576	0.8818	0.4981	0.038*
H10E	0.6925	0.8127	0.5408	0.038*
C11	0.64095 (16)	0.73809 (16)	0.40456 (11)	0.0274 (3)
H11C	0.6120	0.7805	0.3562	0.033*
H11D	0.7343	0.7004	0.4017	0.033*
C12	0.51570 (18)	0.50448 (17)	0.30942 (11)	0.0315 (4)
H12D	0.6090	0.4682	0.3043	0.038*
H12E	0.4823	0.5456	0.2609	0.038*
C13	0.40938 (18)	0.38045 (17)	0.30159 (12)	0.0337 (4)
H13D	0.4151	0.3012	0.2504	0.040*
H13E	0.4367	0.3472	0.3539	0.040*
C14	0.7993 (2)	0.4352 (2)	0.06941 (12)	0.0447 (5)
H14C	0.8935	0.4049	0.0612	0.054*
H14D	0.7495	0.4568	0.0158	0.054*
C15	0.7147 (2)	0.3121 (2)	0.08132 (12)	0.0418 (4)
H15D	0.6366	0.3497	0.1089	0.050*
H15E	0.6718	0.2463	0.0233	0.050*
C16	0.71341 (19)	0.11258 (19)	0.14845 (12)	0.0368 (4)
H16A	0.6549	0.0585	0.0909	0.044*
H16B	0.6482	0.1557	0.1854	0.044*
C17	0.7992 (2)	0.00995 (19)	0.18981 (12)	0.0376 (4)
H17A	0.7369	−0.0759	0.1806	0.045*
H17B	0.8769	−0.0189	0.1598	0.045*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Fe1	0.01817 (15)	0.01988 (15)	0.01805 (15)	0.00311 (11)	0.00408 (11)	0.00631 (11)
Fe2	0.02026 (13)	0.02354 (13)	0.02330 (13)	0.00271 (9)	0.00532 (9)	0.00802 (9)
O1	0.0391 (7)	0.0617 (9)	0.0535 (8)	0.0081 (6)	0.0139 (6)	0.0269 (7)
O2	0.0590 (10)	0.1021 (14)	0.0804 (12)	0.0395 (10)	0.0308 (9)	0.0461 (11)
O3	0.1302 (17)	0.0540 (10)	0.0540 (10)	0.0225 (10)	0.0212 (10)	0.0268 (8)
O4	0.1179 (16)	0.0699 (11)	0.1070 (15)	0.0382 (11)	0.0638 (13)	0.0546 (11)
N1	0.0453 (9)	0.0387 (8)	0.0231 (8)	0.0053 (7)	0.0037 (6)	0.0077 (6)
N2	0.0309 (7)	0.0259 (7)	0.0400 (8)	0.0034 (6)	0.0068 (6)	0.0111 (6)
N3	0.0261 (7)	0.0463 (9)	0.0385 (8)	0.0066 (6)	0.0104 (6)	0.0217 (7)
N4	0.0284 (8)	0.0408 (8)	0.0368 (8)	−0.0013 (6)	0.0046 (6)	0.0095 (7)
N5	0.0327 (8)	0.0271 (7)	0.0591 (10)	0.0007 (6)	0.0201 (7)	0.0076 (7)
N6	0.0531 (10)	0.0557 (10)	0.0481 (10)	0.0077 (8)	0.0160 (8)	0.0309 (9)
N7	0.0356 (9)	0.0488 (9)	0.0439 (9)	−0.0058 (7)	0.0022 (7)	0.0061 (7)
N8	0.0438 (9)	0.0420 (9)	0.0500 (10)	0.0161 (8)	0.0208 (8)	0.0136 (7)
N9	0.0314 (7)	0.0369 (8)	0.0343 (8)	0.0089 (6)	0.0117 (6)	0.0155 (6)
N10	0.0271 (7)	0.0272 (7)	0.0316 (7)	0.0007 (5)	0.0053 (6)	0.0029 (6)
N11	0.0219 (6)	0.0257 (6)	0.0297 (7)	0.0023 (5)	0.0054 (5)	0.0106 (5)
N12	0.0330 (7)	0.0294 (7)	0.0359 (8)	−0.0047 (6)	0.0068 (6)	0.0080 (6)
N13	0.0395 (8)	0.0336 (8)	0.0361 (8)	0.0077 (6)	0.0098 (6)	0.0131 (6)
N14	0.0353 (8)	0.0302 (7)	0.0239 (7)	0.0018 (6)	0.0050 (6)	0.0062 (6)
N15	0.0278 (7)	0.0489 (9)	0.0374 (8)	−0.0007 (6)	0.0069 (6)	0.0208 (7)
C1	0.0214 (7)	0.0209 (7)	0.0266 (8)	0.0035 (6)	0.0062 (6)	0.0061 (6)
C2	0.0180 (7)	0.0272 (8)	0.0212 (7)	0.0029 (6)	0.0035 (6)	0.0073 (6)
C3	0.0264 (8)	0.0243 (7)	0.0218 (7)	0.0053 (6)	0.0054 (6)	0.0105 (6)
C4	0.0252 (8)	0.0277 (8)	0.0294 (8)	0.0054 (7)	0.0097 (7)	0.0115 (7)
C5	0.0220 (7)	0.0260 (8)	0.0305 (8)	−0.0024 (6)	0.0063 (6)	0.0085 (7)
C6	0.0260 (8)	0.0314 (8)	0.0309 (9)	0.0036 (7)	0.0075 (7)	0.0094 (7)
C7	0.0303 (9)	0.0285 (8)	0.0258 (8)	0.0040 (7)	0.0073 (7)	0.0075 (7)
C8	0.0290 (8)	0.0306 (8)	0.0274 (8)	0.0024 (7)	0.0059 (7)	0.0113 (7)
C9	0.0193 (7)	0.0244 (7)	0.0271 (8)	0.0047 (6)	0.0043 (6)	0.0054 (6)
C10	0.0286 (8)	0.0324 (9)	0.0341 (9)	0.0001 (7)	0.0088 (7)	0.0089 (7)
C11	0.0238 (8)	0.0264 (8)	0.0327 (9)	0.0003 (6)	0.0066 (6)	0.0099 (7)
C12	0.0297 (8)	0.0301 (8)	0.0340 (9)	0.0005 (7)	0.0094 (7)	0.0067 (7)
C13	0.0335 (9)	0.0249 (8)	0.0414 (10)	0.0026 (7)	0.0081 (7)	0.0079 (7)
C14	0.0726 (14)	0.0377 (10)	0.0301 (9)	0.0173 (9)	0.0195 (9)	0.0132 (8)
C15	0.0526 (11)	0.0370 (10)	0.0291 (9)	0.0068 (8)	−0.0030 (8)	0.0077 (8)
C16	0.0331 (9)	0.0406 (10)	0.0327 (9)	−0.0057 (7)	0.0011 (7)	0.0097 (8)
C17	0.0413 (10)	0.0319 (9)	0.0390 (10)	−0.0022 (8)	0.0096 (8)	0.0095 (8)

Geometric parameters (Å, º)

Fe1—C1	1.9085 (15)	N12—C13	1.476 (2)
Fe1—C2	1.9172 (15)	N12—H12A	0.8900
Fe1—C3	1.9081 (16)	N12—H12B	0.8900
Fe2—C4	1.9146 (16)	N12—H12C	0.8900
Fe2—C5	1.9009 (16)	N13—C14	1.486 (2)
Fe2—C6	1.9186 (17)	N13—H13A	0.8900
Fe2—C7	1.9144 (17)	N13—H13B	0.8900
Fe2—C8	1.9372 (17)	N13—H13C	0.8900
Fe2—C9	1.8895 (16)	N14—C15	1.493 (2)
Fe1—C3^i	1.9081 (16)	N14—C16	1.494 (2)
Fe1—C1^i	1.9085 (15)	N14—H14A	0.9000
Fe1—C2^i	1.9172 (15)	N14—H14B	0.9000
O1—H1A	0.8500	N15—C17	1.484 (2)
O1—H1B	0.8500	N15—H15A	0.8900
O2—H2A	0.8500	N15—H15B	0.8900
O2—H2B	0.8500	N15—H15C	0.8900
O3—H3A	0.8500	C10—C11	1.512 (2)
O3—H3B	0.8500	C10—H10D	0.9700
O4—H4A	0.8500	C10—H10E	0.9700
O4—H4B	0.8500	C11—H11C	0.9700
N1—C1	1.158 (2)	C11—H11D	0.9700
N2—C2	1.162 (2)	C12—C13	1.516 (2)
N3—C3	1.159 (2)	C12—H12D	0.9700
N4—C4	1.158 (2)	C12—H12E	0.9700
N5—C5	1.160 (2)	C13—H13D	0.9700
N6—C6	1.156 (2)	C13—H13E	0.9700
N7—C7	1.158 (2)	C14—C15	1.505 (3)
N8—C8	1.155 (2)	C14—H14C	0.9700
N9—C9	1.165 (2)	C14—H14D	0.9700
N10—C10	1.483 (2)	C15—H15D	0.9700
N10—H10A	0.8900	C15—H15E	0.9700
N10—H10B	0.8900	C16—C17	1.502 (3)
N10—H10C	0.8900	C16—H16A	0.9700
N11—C11	1.4844 (19)	C16—H16B	0.9700
N11—C12	1.487 (2)	C17—H17A	0.9700
N11—H11A	0.9000	C17—H17B	0.9700
N11—H11B	0.9000
C1—Fe1—C2	91.56 (6)	C17—N15—H15A	109.5
C1—Fe1—C3	89.79 (6)	C17—N15—H15B	109.5
C1—Fe1—C2^i	88.44 (6)	H15A—N15—H15B	109.5
C1—Fe1—C3^i	90.21 (6)	C17—N15—H15C	109.5
C2—Fe1—C3	87.60 (6)	H15A—N15—H15C	109.5
C2—Fe1—C3^i	92.40 (6)	H15B—N15—H15C	109.5
C3—Fe1—C3^i	180	N1—C1—Fe1	178.40 (14)
C3^i—Fe1—C1^i	89.79 (6)	N2—C2—Fe1	177.13 (14)
C3^i—Fe1—C1	90.21 (6)	N3—C3—Fe1	179.01 (14)
C1^i—Fe1—C1	180	N4—C4—Fe2	176.08 (14)
C3^i—Fe1—C2	92.40 (6)	N5—C5—Fe2	178.00 (15)
C1^i—Fe1—C2	88.44 (6)	N6—C6—Fe2	176.67 (15)
C3^i—Fe1—C2^i	87.60 (6)	N7—C7—Fe2	173.94 (15)
C1^i—Fe1—C2^i	91.56 (6)	N8—C8—Fe2	175.50 (16)
C2—Fe1—C2^i	180	N9—C9—Fe2	176.80 (13)
C4—Fe2—C5	89.72 (7)	N10—C10—C11	110.01 (13)
C4—Fe2—C6	93.05 (7)	N10—C10—H10D	109.7
C4—Fe2—C7	174.63 (6)	C11—C10—H10D	109.7
C4—Fe2—C8	88.12 (7)	N10—C10—H10E	109.7
C4—Fe2—C9	88.43 (6)	C11—C10—H10E	109.7
C5—Fe2—C6	87.16 (7)	H10D—C10—H10E	108.2
C5—Fe2—C7	87.12 (7)	N11—C11—C10	109.95 (13)
C5—Fe2—C8	176.56 (6)	N11—C11—H11C	109.7
C5—Fe2—C9	89.88 (6)	C10—C11—H11C	109.7
C6—Fe2—C7	91.13 (7)	N11—C11—H11D	109.7
C6—Fe2—C8	90.28 (7)	C10—C11—H11D	109.7
C6—Fe2—C9	176.68 (6)	H11C—C11—H11D	108.2
C7—Fe2—C8	95.24 (7)	N11—C12—C13	112.00 (13)
C7—Fe2—C9	87.22 (7)	N11—C12—H12D	109.2
C8—Fe2—C9	92.74 (6)	C13—C12—H12D	109.2
H1A—O1—H1B	119.9	N11—C12—H12E	109.2
H2A—O2—H2B	119.9	C13—C12—H12E	109.2
H3A—O3—H3B	120.0	H12D—C12—H12E	107.9
H4A—O4—H4B	120.0	N12—C13—C12	112.93 (14)
C10—N10—H10A	109.5	N12—C13—H13D	109.0
C10—N10—H10B	109.5	C12—C13—H13D	109.0
H10A—N10—H10B	109.5	N12—C13—H13E	109.0
C10—N10—H10C	109.5	C12—C13—H13E	109.0
H10A—N10—H10C	109.5	H13D—C13—H13E	107.8
H10B—N10—H10C	109.5	N13—C14—C15	114.05 (15)
C11—N11—C12	112.15 (12)	N13—C14—H14C	108.7
C11—N11—H11A	109.2	C15—C14—H14C	108.7
C12—N11—H11A	109.2	N13—C14—H14D	108.7
C11—N11—H11B	109.2	C15—C14—H14D	108.7
C12—N11—H11B	109.2	H14C—C14—H14D	107.6
H11A—N11—H11B	107.9	N14—C15—C14	113.54 (16)
C13—N12—H12A	109.5	N14—C15—H15D	108.9
C13—N12—H12B	109.5	C14—C15—H15D	108.9
H12A—N12—H12B	109.5	N14—C15—H15E	108.9
C13—N12—H12C	109.5	C14—C15—H15E	108.9
H12A—N12—H12C	109.5	H15D—C15—H15E	107.7
H12B—N12—H12C	109.5	N14—C16—C17	114.01 (14)
C14—N13—H13A	109.5	N14—C16—H16A	108.8
C14—N13—H13B	109.5	C17—C16—H16A	108.7
H13A—N13—H13B	109.5	N14—C16—H16B	108.7
C14—N13—H13C	109.5	C17—C16—H16B	108.8
H13A—N13—H13C	109.5	H16A—C16—H16B	107.6
H13B—N13—H13C	109.5	N15—C17—C16	113.61 (15)
C15—N14—C16	111.10 (14)	N15—C17—H17A	108.8
C15—N14—H14A	109.4	C16—C17—H17A	108.8
C16—N14—H14A	109.4	N15—C17—H17B	108.8
C15—N14—H14B	109.4	C16—C17—H17B	108.8
C16—N14—H14B	109.4	H17A—C17—H17B	107.7
H14A—N14—H14B	108.0

Symmetry code: (i) −x, −y+1, −z+1.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1a···N2^ii	0.85	2.17	3.0160 (17)	175
O1—H1b···N9^ii	0.85	2.43	3.0781 (16)	134
O2—H2a···N6^iii	0.85	2.41	3.128 (2)	142
O2—H2b···N7^iv	0.85	2.20	3.022 (2)	161
O3—H3a···N7	0.85	2.29	3.071 (2)	154
O3—H3b···O4	0.85	1.97	2.809 (2)	169
O4—H4a···N8^v	0.85	2.16	2.991 (2)	168
O4—H4b···N6^iii	0.85	1.93	2.764 (2)	165
N10—H10a···N2^ii	0.89	2.03	2.867 (2)	155
N10—H10b···N9^vi	0.89	2.11	2.984 (2)	169
N10—H10c···N4	0.89	2.03	2.905 (2)	168
N11—H11a···N9	0.90	2.01	2.823 (2)	149
N11—H11b···N3^vii	0.90	1.93	2.780 (2)	157
N12—H12a···N5^iii	0.89	1.95	2.793 (2)	158
N12—H12b···O3	0.89	1.84	2.7202 (19)	170
N12—H12c···N3	0.89	2.29	2.949 (2)	131
N12—H12c···N9	0.89	2.60	3.219 (2)	128
N13—H13a···N1^vii	0.89	2.16	3.024 (2)	163
N13—H13b···N8	0.89	2.04	2.931 (2)	175
N13—H13c···N7^ii	0.89	2.08	2.953 (2)	167
N14—H14a···N1^vii	0.90	1.89	2.777 (2)	169
N14—H14b···O2^ii	0.90	1.85	2.7357 (18)	168
N15—H15a···N4^iii	0.89	2.05	2.849 (2)	149
N15—H15b···N5^viii	0.89	2.09	2.789 (2)	134
N15—H15c···O1^iii	0.89	1.99	2.848 (2)	162
C16—H16a···N6^v	0.97	2.55	3.393 (3)	146

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