Bis­[tetraamminezinc(II)] tetrapicrate trihydrate

In the title compound, [Zn(NH₃)₄](C₆H₂N₃O₇)₄·3H₂O, the Zn^II atom is coordinated by four ammine N atoms in a slightly distorted tetrahedron. The phenolate and nitro O atoms of the picrate ions act as acceptors in N—H...O and O—H...O hydrogen bonds, giving a three-dimensional network.

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean [sigma](C-C) = 0.005 Å
• R factor = 0.039
• wR factor = 0.097
• Data-to-parameter ratio = 10.5

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for         N4
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for         N6
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for        N12
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for         N1
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for         N3
PLAT301_ALERT_3_C Main Residue  Disorder .........................       9.00 Perc.
PLAT420_ALERT_2_C D-H Without Acceptor       N18    -   H18B   ...          ?
PLAT420_ALERT_2_C D-H Without Acceptor       N19    -   H19C   ...          ?
PLAT430_ALERT_2_C Short Inter D...A Contact  O13    ..  O21'    ..       2.86 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H30A   ..  O9      ..       2.63 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H30B   ..  O9'     ..       2.63 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H13B   ..  O16     ..       2.66 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H15A   ..  O5      ..       2.64 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H17C   ..  O11     ..       2.62 Ang.

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  16 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
   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
   6 ALERT type 4 Improvement, methodology, query or suggestion

---

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.

Bis[tetraamminezinc(II)] tetrapicrate trihydrate

Crystal data

[Zn(NH3)4](C6H2N3O7)4·3H2O	F(000) = 1260
Mr = 1233.48	Dx = 1.742 Mg m^−3
Triclinic, P1	Melting point: 180 K
a = 7.056 (4) Å	Mo Kα radiation, λ = 0.71073 Å
b = 18.202 (9) Å	Cell parameters from 800 reflections
c = 18.715 (9) Å	θ = 2.3–25.0°
α = 85.002 (7)°	µ = 1.14 mm^−1
β = 83.941 (7)°	T = 298 K
γ = 80.575 (6)°	Block, yellow
V = 2352 (2) Å^3	0.56 × 0.48 × 0.41 mm
Z = 2

Data collection

Bruker SMART CCD area-detector diffractometer	8171 independent reflections
Radiation source: fine-focus sealed tube	5571 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.021
Detector resolution: 0 pixels mm^-1	θmax = 25.0°, θmin = 2.3°
φ and ω scans	h = −8→8
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	k = −19→21
Tmin = 0.567, Tmax = 0.652	l = −22→17
12336 measured reflections

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)] = 0.039	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.097	H atoms treated by a mixture of independent and constrained refinement
S = 0.92	w = 1/[σ^2(Fo^2) + (0.0545P)^2] where P = (Fo^2 + 2Fc^2)/3
8171 reflections	(Δ/σ)max = 0.001
775 parameters	Δρmax = 0.46 e Å^−3
171 restraints	Δρmin = −0.45 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)
Zn1	0.29188 (6)	0.42824 (2)	0.703112 (19)	0.04408 (12)
Zn2	0.75964 (6)	0.07188 (2)	0.819964 (18)	0.04651 (12)
C1	1.0091 (4)	0.27029 (18)	−0.05863 (16)	0.0413 (7)
C2	1.0125 (4)	0.22107 (17)	0.00688 (16)	0.0419 (7)
C3	0.9698 (5)	0.24579 (18)	0.07474 (16)	0.0457 (8)
H3	0.9791	0.2120	0.1149	0.055*
C4	0.9134 (5)	0.32054 (18)	0.08307 (16)	0.0442 (8)
C5	0.9009 (5)	0.37182 (19)	0.02412 (18)	0.0482 (8)
H5	0.8623	0.4224	0.0303	0.058*
C6	0.9456 (5)	0.34723 (18)	−0.04284 (16)	0.0436 (8)
C7	0.0514 (4)	0.26734 (16)	0.55106 (16)	0.0390 (7)
C8	0.0809 (4)	0.28815 (17)	0.47510 (16)	0.0419 (7)
C9	0.1107 (5)	0.2388 (2)	0.42248 (18)	0.0499 (8)
H9	0.1317	0.2553	0.3743	0.060*
C10	0.1089 (5)	0.1643 (2)	0.44201 (19)	0.0524 (9)
C11	0.0826 (5)	0.13823 (19)	0.51241 (19)	0.0511 (9)
H11	0.0803	0.0877	0.5244	0.061*
C12	0.0597 (5)	0.18771 (17)	0.56531 (17)	0.0431 (8)
C13	0.5693 (4)	0.24608 (17)	0.48955 (16)	0.0399 (7)
C14	0.6138 (4)	0.27711 (17)	0.41669 (16)	0.0410 (7)
C15	0.6592 (5)	0.23649 (19)	0.35778 (17)	0.0467 (8)
H15	0.6883	0.2598	0.3126	0.056*
C16	0.6621 (5)	0.16050 (19)	0.36598 (17)	0.0475 (8)
C17	0.6201 (5)	0.12435 (19)	0.43255 (18)	0.0495 (8)
H17	0.6198	0.0731	0.4370	0.059*
C18	0.5795 (5)	0.16562 (17)	0.49163 (16)	0.0423 (8)
C19	0.4908 (4)	0.23502 (17)	0.01689 (16)	0.0407 (7)
C20	0.4850 (5)	0.20505 (16)	0.09135 (16)	0.0416 (7)
C21	0.4322 (5)	0.24668 (19)	0.14953 (17)	0.0488 (8)
H21	0.4224	0.2238	0.1959	0.059*
C22	0.3937 (5)	0.32263 (19)	0.13868 (19)	0.0497 (9)
C23	0.4006 (5)	0.35705 (18)	0.0710 (2)	0.0509 (9)
H23	0.3747	0.4089	0.0647	0.061*
C24	0.4459 (4)	0.31551 (17)	0.01175 (17)	0.0422 (7)
H29A	0.620 (4)	0.2655 (17)	0.6439 (11)	0.051*
H30A	0.179 (5)	0.5083 (10)	0.4030 (14)	0.051*
H31A	0.265 (4)	0.1662 (15)	0.8415 (11)	0.051*
H29B	0.763 (3)	0.2959 (18)	0.6665 (15)	0.051*
H30B	0.127 (4)	0.5841 (9)	0.3902 (15)	0.051*
H31B	0.285 (4)	0.1514 (16)	0.7704 (8)	0.051*
N1	1.0679 (5)	0.14196 (16)	0.00161 (17)	0.0609 (8)
N2	0.8642 (5)	0.3463 (2)	0.15460 (17)	0.0649 (9)
N3	0.9378 (5)	0.40410 (19)	−0.10299 (18)	0.0645 (8)
N4	0.0781 (5)	0.36587 (17)	0.45113 (16)	0.0565 (8)
N5	0.1387 (5)	0.1109 (2)	0.3865 (2)	0.0755 (11)
N6	0.0471 (4)	0.15596 (16)	0.63917 (16)	0.0546 (7)
N7	0.6130 (5)	0.35728 (16)	0.40463 (16)	0.0545 (8)
N8	0.7123 (5)	0.1164 (2)	0.30348 (18)	0.0674 (9)
N9	0.5411 (5)	0.12434 (17)	0.56010 (17)	0.0574 (8)
N10	0.5356 (5)	0.12539 (16)	0.10730 (16)	0.0575 (8)
N11	0.3457 (5)	0.3670 (2)	0.2012 (2)	0.0773 (11)
N12	0.4479 (5)	0.35583 (17)	−0.05846 (18)	0.0577 (8)
N13	0.3684 (5)	0.43748 (15)	0.59701 (13)	0.0597 (8)
H13A	0.2847	0.4725	0.5760	0.090*
H13B	0.3687	0.3940	0.5786	0.090*
H13C	0.4860	0.4500	0.5892	0.090*
N14	0.2326 (4)	0.32517 (14)	0.73064 (14)	0.0536 (7)
H14A	0.3421	0.2929	0.7301	0.080*
H14B	0.1582	0.3130	0.6994	0.080*
H14C	0.1712	0.3237	0.7747	0.080*
N15	0.5126 (4)	0.44460 (17)	0.75535 (15)	0.0651 (8)
H15A	0.4794	0.4859	0.7789	0.098*
H15B	0.6142	0.4494	0.7238	0.098*
H15C	0.5425	0.4057	0.7866	0.098*
N16	0.0686 (4)	0.50682 (15)	0.72873 (14)	0.0554 (7)
H16A	0.0310	0.5008	0.7755	0.083*
H16B	−0.0285	0.5031	0.7032	0.083*
H16C	0.1036	0.5517	0.7189	0.083*
N17	0.6547 (4)	0.03047 (14)	0.73902 (13)	0.0495 (7)
H17A	0.5962	0.0678	0.7114	0.074*
H17B	0.5703	0.0007	0.7570	0.074*
H17C	0.7510	0.0045	0.7128	0.074*
N18	1.0353 (4)	0.01818 (17)	0.82445 (16)	0.0676 (9)
H18A	1.0658	−0.0117	0.7884	0.101*
H18B	1.0451	−0.0088	0.8663	0.101*
H18C	1.1155	0.0516	0.8206	0.101*
N19	0.6145 (4)	0.04610 (14)	0.91526 (12)	0.0505 (7)
H19A	0.5947	0.0853	0.9419	0.076*
H19B	0.6834	0.0076	0.9383	0.076*
H19C	0.5015	0.0340	0.9076	0.076*
N20	0.7463 (4)	0.18277 (13)	0.81572 (13)	0.0457 (7)
H20A	0.7214	0.2022	0.7718	0.069*
H20B	0.8586	0.1937	0.8257	0.069*
H20C	0.6530	0.2018	0.8478	0.069*
O1	1.0625 (3)	0.24992 (13)	−0.12012 (11)	0.0553 (6)
O2	1.0468 (6)	0.11409 (15)	−0.05304 (16)	0.1031 (12)
O3	1.1331 (5)	0.10529 (15)	0.05369 (16)	0.0913 (10)
O4	0.9119 (5)	0.3043 (2)	0.20569 (15)	0.1024 (11)
O5	0.7780 (5)	0.41018 (19)	0.16011 (16)	0.0939 (10)
O6	0.9740 (7)	0.4648 (2)	−0.0935 (2)	0.1352 (16)
O7	0.8928 (5)	0.38882 (16)	−0.16053 (15)	0.0823 (9)
O8	0.0177 (3)	0.31302 (11)	0.59901 (11)	0.0505 (6)
O11	0.1836 (6)	0.1335 (2)	0.32461 (19)	0.1108 (13)
O12	0.1164 (5)	0.0469 (2)	0.40412 (19)	0.1094 (13)
O13	−0.0159 (5)	0.09763 (16)	0.65263 (16)	0.1020 (11)
O14	0.0971 (5)	0.18779 (15)	0.68579 (14)	0.0811 (9)
O15	0.5263 (4)	0.28335 (13)	0.54237 (12)	0.0611 (7)
O18	0.7572 (5)	0.14893 (18)	0.24481 (16)	0.0899 (10)
O19	0.7078 (5)	0.04953 (17)	0.31170 (16)	0.0968 (11)
O20	0.4942 (5)	0.06321 (17)	0.56053 (16)	0.0967 (10)
O22	0.5249 (4)	0.19562 (12)	−0.03498 (11)	0.0635 (7)
O23	0.6617 (5)	0.09069 (14)	0.06885 (15)	0.0804 (9)
O24	0.4507 (5)	0.09603 (15)	0.15959 (14)	0.0897 (10)
O25	0.3386 (6)	0.3343 (2)	0.26047 (19)	0.1239 (15)
O26	0.3164 (4)	0.43476 (19)	0.18972 (19)	0.1010 (12)
O27	0.4538 (7)	0.42223 (17)	−0.06160 (18)	0.1272 (15)
O28	0.4147 (12)	0.3269 (7)	−0.1096 (6)	0.066 (2)	0.537 (7)
O29	0.6570 (4)	0.28158 (16)	0.67955 (12)	0.0631 (7)
O30	0.1961 (5)	0.54543 (15)	0.37641 (16)	0.0794 (8)
O31	0.3248 (4)	0.13766 (17)	0.81050 (15)	0.0810 (9)
O9	−0.0145 (15)	0.4158 (5)	0.4850 (4)	0.102 (3)	0.537 (7)
O10	0.0516 (14)	0.3806 (4)	0.3865 (3)	0.093 (2)	0.537 (7)
O16	0.4963 (12)	0.3966 (3)	0.4396 (3)	0.078 (2)	0.537 (7)
O17	0.6122 (12)	0.3909 (3)	0.3432 (3)	0.0667 (18)	0.537 (7)
O21	0.5092 (12)	0.1554 (6)	0.6171 (6)	0.067 (2)	0.537 (7)
O9'	0.1043 (14)	0.4098 (5)	0.4902 (5)	0.076 (2)	0.463 (7)
O10'	0.1805 (15)	0.3844 (5)	0.4005 (5)	0.099 (3)	0.463 (7)
O16'	0.6414 (13)	0.3941 (3)	0.4576 (3)	0.066 (2)	0.463 (7)
O17'	0.7270 (14)	0.3742 (4)	0.3571 (5)	0.075 (2)	0.463 (7)
O21'	0.6021 (15)	0.1470 (7)	0.6124 (7)	0.069 (3)	0.463 (7)
O28'	0.5057 (16)	0.3223 (8)	−0.1129 (8)	0.079 (3)	0.463 (7)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Zn1	0.0551 (3)	0.0410 (2)	0.0377 (2)	−0.01339 (18)	−0.00069 (17)	−0.00494 (15)
Zn2	0.0675 (3)	0.0353 (2)	0.0357 (2)	−0.00700 (18)	−0.00040 (18)	−0.00401 (15)
C1	0.0399 (18)	0.047 (2)	0.0385 (18)	−0.0104 (15)	−0.0069 (14)	0.0014 (14)
C2	0.0413 (18)	0.0378 (18)	0.0456 (19)	−0.0042 (14)	−0.0063 (15)	0.0008 (14)
C3	0.046 (2)	0.054 (2)	0.0377 (18)	−0.0146 (16)	−0.0065 (15)	0.0071 (15)
C4	0.0441 (19)	0.051 (2)	0.0404 (18)	−0.0184 (16)	0.0027 (15)	−0.0089 (15)
C5	0.045 (2)	0.044 (2)	0.057 (2)	−0.0100 (15)	−0.0028 (17)	−0.0067 (16)
C6	0.0439 (19)	0.045 (2)	0.0419 (18)	−0.0106 (15)	−0.0082 (15)	0.0098 (14)
C7	0.0394 (18)	0.0381 (18)	0.0402 (18)	−0.0075 (14)	−0.0039 (14)	−0.0044 (14)
C8	0.0404 (18)	0.0447 (19)	0.0409 (18)	−0.0083 (15)	−0.0034 (14)	−0.0024 (14)
C9	0.044 (2)	0.062 (2)	0.0434 (19)	−0.0025 (17)	−0.0065 (16)	−0.0095 (16)
C10	0.041 (2)	0.063 (2)	0.056 (2)	−0.0043 (17)	−0.0066 (17)	−0.0304 (18)
C11	0.045 (2)	0.044 (2)	0.066 (2)	−0.0101 (16)	−0.0041 (18)	−0.0167 (17)
C12	0.0435 (19)	0.0371 (18)	0.0484 (19)	−0.0073 (14)	−0.0005 (15)	−0.0039 (14)
C13	0.0371 (18)	0.0425 (19)	0.0400 (18)	−0.0064 (14)	−0.0053 (14)	−0.0010 (14)
C14	0.0428 (19)	0.0418 (19)	0.0393 (18)	−0.0106 (14)	−0.0021 (14)	−0.0019 (14)
C15	0.0445 (19)	0.054 (2)	0.0427 (19)	−0.0111 (16)	−0.0032 (15)	−0.0045 (15)
C16	0.044 (2)	0.057 (2)	0.0433 (19)	−0.0055 (16)	−0.0061 (15)	−0.0148 (16)
C17	0.045 (2)	0.043 (2)	0.063 (2)	−0.0056 (15)	−0.0133 (17)	−0.0073 (16)
C18	0.0435 (19)	0.0408 (19)	0.0427 (18)	−0.0078 (15)	−0.0090 (15)	0.0040 (14)
C19	0.0441 (19)	0.0384 (18)	0.0381 (18)	−0.0060 (14)	0.0039 (15)	−0.0037 (14)
C20	0.054 (2)	0.0337 (17)	0.0390 (18)	−0.0116 (15)	−0.0062 (15)	−0.0015 (13)
C21	0.053 (2)	0.061 (2)	0.0363 (18)	−0.0152 (17)	−0.0046 (15)	−0.0098 (15)
C22	0.045 (2)	0.050 (2)	0.056 (2)	−0.0032 (16)	−0.0030 (17)	−0.0248 (17)
C23	0.0397 (19)	0.0369 (19)	0.077 (3)	−0.0032 (15)	−0.0041 (18)	−0.0135 (17)
C24	0.0396 (18)	0.0359 (18)	0.0500 (19)	−0.0053 (14)	−0.0033 (15)	0.0006 (14)
N1	0.079 (2)	0.0415 (18)	0.058 (2)	−0.0054 (16)	−0.0001 (17)	0.0026 (16)
N2	0.065 (2)	0.086 (3)	0.050 (2)	−0.033 (2)	0.0087 (17)	−0.0200 (19)
N3	0.070 (2)	0.056 (2)	0.066 (2)	−0.0097 (17)	−0.0181 (18)	0.0185 (16)
N4	0.064 (2)	0.056 (2)	0.0468 (19)	−0.0066 (17)	−0.0030 (17)	0.0045 (15)
N5	0.063 (2)	0.087 (3)	0.081 (3)	0.004 (2)	−0.010 (2)	−0.050 (2)
N6	0.065 (2)	0.0358 (17)	0.060 (2)	−0.0088 (14)	0.0048 (16)	0.0021 (14)
N7	0.067 (2)	0.0476 (18)	0.0481 (18)	−0.0152 (16)	0.0061 (17)	−0.0005 (15)
N8	0.073 (2)	0.071 (3)	0.063 (2)	−0.0084 (19)	−0.0114 (18)	−0.0276 (19)
N9	0.061 (2)	0.047 (2)	0.064 (2)	−0.0094 (16)	−0.0138 (17)	0.0093 (15)
N10	0.093 (2)	0.0445 (18)	0.0405 (17)	−0.0176 (17)	−0.0209 (17)	−0.0016 (14)
N11	0.064 (2)	0.085 (3)	0.086 (3)	−0.001 (2)	−0.004 (2)	−0.050 (2)
N12	0.0533 (19)	0.0396 (19)	0.075 (2)	−0.0043 (15)	0.0009 (18)	0.0111 (16)
N13	0.088 (2)	0.0463 (18)	0.0423 (16)	−0.0075 (16)	0.0030 (16)	−0.0064 (12)
N14	0.067 (2)	0.0435 (17)	0.0499 (17)	−0.0116 (14)	0.0012 (14)	−0.0045 (12)
N15	0.073 (2)	0.068 (2)	0.0593 (19)	−0.0209 (17)	−0.0172 (16)	−0.0031 (15)
N16	0.0639 (19)	0.0466 (17)	0.0509 (17)	−0.0057 (14)	0.0092 (14)	0.0015 (13)
N17	0.070 (2)	0.0436 (16)	0.0353 (15)	−0.0132 (14)	−0.0011 (13)	0.0006 (11)
N18	0.073 (2)	0.061 (2)	0.063 (2)	0.0058 (17)	−0.0051 (17)	−0.0114 (15)
N19	0.077 (2)	0.0339 (15)	0.0391 (15)	−0.0078 (14)	0.0019 (14)	−0.0055 (11)
N20	0.0578 (17)	0.0433 (16)	0.0368 (14)	−0.0120 (13)	−0.0032 (13)	−0.0003 (11)
O1	0.0689 (16)	0.0564 (15)	0.0384 (13)	−0.0067 (12)	0.0000 (11)	−0.0034 (10)
O2	0.192 (4)	0.0504 (18)	0.066 (2)	−0.022 (2)	0.004 (2)	−0.0123 (14)
O3	0.120 (3)	0.0537 (18)	0.092 (2)	0.0121 (17)	−0.0277 (19)	0.0138 (15)
O4	0.140 (3)	0.127 (3)	0.0391 (17)	−0.024 (2)	0.0037 (18)	−0.0084 (17)
O5	0.108 (3)	0.086 (2)	0.090 (2)	−0.0199 (19)	0.0206 (19)	−0.0464 (18)
O6	0.212 (5)	0.079 (3)	0.132 (3)	−0.070 (3)	−0.070 (3)	0.049 (2)
O7	0.097 (2)	0.083 (2)	0.0537 (17)	0.0116 (17)	−0.0076 (16)	0.0161 (14)
O8	0.0726 (16)	0.0385 (13)	0.0401 (12)	−0.0064 (11)	−0.0041 (11)	−0.0075 (10)
O11	0.141 (3)	0.120 (3)	0.069 (2)	0.014 (2)	−0.013 (2)	−0.054 (2)
O12	0.127 (3)	0.081 (3)	0.128 (3)	−0.020 (2)	0.005 (2)	−0.065 (2)
O13	0.154 (3)	0.059 (2)	0.096 (2)	−0.049 (2)	0.011 (2)	0.0092 (16)
O14	0.134 (3)	0.0611 (18)	0.0525 (16)	−0.0248 (17)	−0.0230 (17)	0.0080 (13)
O15	0.093 (2)	0.0474 (15)	0.0407 (14)	−0.0062 (13)	−0.0027 (13)	−0.0032 (11)
O18	0.122 (3)	0.096 (2)	0.0550 (18)	−0.021 (2)	0.0041 (18)	−0.0303 (16)
O19	0.142 (3)	0.060 (2)	0.090 (2)	−0.0086 (19)	−0.008 (2)	−0.0346 (16)
O20	0.147 (3)	0.058 (2)	0.090 (2)	−0.042 (2)	−0.010 (2)	0.0167 (15)
O22	0.106 (2)	0.0410 (14)	0.0383 (13)	0.0011 (13)	−0.0009 (13)	−0.0049 (10)
O23	0.121 (3)	0.0482 (16)	0.0644 (18)	0.0143 (16)	−0.0160 (17)	−0.0048 (13)
O24	0.156 (3)	0.0630 (19)	0.0561 (17)	−0.0479 (19)	−0.0056 (18)	0.0152 (13)
O25	0.172 (4)	0.129 (3)	0.066 (2)	0.008 (3)	−0.005 (2)	−0.050 (2)
O26	0.085 (2)	0.077 (2)	0.144 (3)	0.0085 (18)	−0.008 (2)	−0.070 (2)
O27	0.209 (4)	0.045 (2)	0.108 (3)	0.004 (2)	0.012 (3)	0.0240 (16)
O28	0.075 (5)	0.074 (4)	0.053 (3)	−0.026 (5)	−0.017 (4)	0.011 (3)
O29	0.0680 (18)	0.0778 (19)	0.0437 (15)	−0.0149 (15)	−0.0012 (13)	−0.0038 (13)
O30	0.095 (2)	0.0438 (17)	0.094 (2)	−0.0102 (16)	0.0159 (18)	−0.0063 (14)
O31	0.081 (2)	0.083 (2)	0.0687 (19)	0.0174 (16)	−0.0022 (17)	−0.0092 (16)
O9	0.157 (6)	0.060 (4)	0.073 (4)	0.002 (5)	0.026 (5)	0.001 (3)
O10	0.134 (6)	0.089 (4)	0.053 (3)	−0.016 (4)	−0.020 (4)	0.019 (3)
O16	0.097 (5)	0.052 (3)	0.071 (3)	0.005 (3)	0.025 (3)	0.004 (2)
O17	0.090 (4)	0.053 (3)	0.059 (3)	−0.018 (3)	−0.014 (3)	0.014 (2)
O21	0.082 (5)	0.073 (4)	0.043 (3)	−0.013 (5)	0.001 (4)	0.004 (3)
O9'	0.106 (5)	0.050 (4)	0.080 (4)	−0.030 (4)	−0.028 (4)	0.006 (3)
O10'	0.109 (5)	0.079 (4)	0.097 (5)	−0.016 (4)	0.031 (4)	0.022 (4)
O16'	0.098 (5)	0.046 (3)	0.059 (4)	−0.025 (3)	0.008 (3)	−0.014 (3)
O17'	0.096 (5)	0.057 (4)	0.072 (4)	−0.033 (4)	0.020 (4)	0.004 (3)
O21'	0.093 (7)	0.059 (4)	0.053 (4)	−0.013 (5)	−0.013 (6)	0.012 (3)
O28'	0.105 (7)	0.066 (4)	0.062 (4)	−0.016 (6)	−0.007 (6)	0.019 (3)

Geometric parameters (Å, º)

Zn1—N16	1.995 (3)	N2—O5	1.228 (4)
Zn1—N15	1.998 (3)	N3—O6	1.206 (4)
Zn1—N14	2.001 (3)	N3—O7	1.221 (4)
Zn1—N13	2.002 (3)	N4—O9'	1.177 (9)
Zn2—N20	2.000 (3)	N4—O10'	1.189 (8)
Zn2—N17	2.007 (3)	N4—O9	1.214 (8)
Zn2—N19	2.019 (3)	N4—O10	1.242 (6)
Zn2—N18	2.035 (3)	N5—O12	1.213 (5)
C1—O1	1.241 (3)	N5—O11	1.222 (5)
C1—C6	1.445 (4)	N6—O14	1.201 (4)
C1—C2	1.454 (4)	N6—O13	1.213 (4)
C2—C3	1.371 (4)	N7—O16	1.181 (6)
C2—N1	1.438 (4)	N7—O17'	1.190 (7)
C3—C4	1.371 (4)	N7—O17	1.255 (6)
C3—H3	0.9300	N7—O16'	1.294 (6)
C4—C5	1.382 (5)	N8—O19	1.219 (4)
C4—N2	1.446 (4)	N8—O18	1.238 (4)
C5—C6	1.356 (4)	N9—O20	1.211 (4)
C5—H5	0.9300	N9—O21	1.234 (11)
C6—N3	1.460 (4)	N9—O21'	1.238 (14)
C7—O8	1.254 (3)	N10—O23	1.212 (4)
C7—C8	1.441 (4)	N10—O24	1.221 (4)
C7—C12	1.443 (4)	N11—O25	1.212 (5)
C8—C9	1.368 (4)	N11—O26	1.221 (5)
C8—N4	1.444 (4)	N12—O28	1.194 (12)
C9—C10	1.375 (5)	N12—O27	1.212 (4)
C9—H9	0.9300	N12—O28'	1.232 (15)
C10—C11	1.365 (5)	N13—H13A	0.8900
C10—N5	1.460 (4)	N13—H13B	0.8900
C11—C12	1.375 (4)	N13—H13C	0.8900
C11—H11	0.9300	N14—H14A	0.8900
C12—N6	1.451 (4)	N14—H14B	0.8900
C13—O15	1.231 (3)	N14—H14C	0.8900
C13—C18	1.452 (4)	N15—H15A	0.8900
C13—C14	1.453 (4)	N15—H15B	0.8900
C14—C15	1.362 (4)	N15—H15C	0.8900
C14—N7	1.456 (4)	N16—H16A	0.8900
C15—C16	1.375 (5)	N16—H16B	0.8900
C15—H15	0.9300	N16—H16C	0.8900
C16—C17	1.384 (5)	N17—H17A	0.8900
C16—N8	1.456 (4)	N17—H17B	0.8900
C17—C18	1.370 (4)	N17—H17C	0.8900
C17—H17	0.9301	N18—H18A	0.8900
C18—N9	1.451 (4)	N18—H18B	0.8900
C19—O22	1.237 (3)	N18—H18C	0.8900
C19—C24	1.444 (4)	N19—H19A	0.8900
C19—C20	1.450 (4)	N19—H19B	0.8900
C20—C21	1.365 (4)	N19—H19C	0.8900
C20—N10	1.448 (4)	N20—H20A	0.8900
C21—C22	1.366 (5)	N20—H20B	0.8900
C21—H21	0.9300	N20—H20C	0.8900
C22—C23	1.364 (5)	O28—O28'	0.631 (12)
C22—N11	1.459 (4)	O29—H29A	0.834 (10)
C23—C24	1.376 (4)	O29—H29B	0.836 (10)
C23—H23	0.9301	O30—H30A	0.822 (10)
C24—N12	1.448 (4)	O30—H30B	0.832 (10)
N1—O2	1.214 (4)	O31—H31A	0.844 (10)
N1—O3	1.220 (4)	O31—H31B	0.835 (10)
N2—O4	1.212 (4)	O9'—O10'	1.784 (14)
N16—Zn1—N15	107.82 (13)	O10'—N4—O9	116.2 (6)
N16—Zn1—N14	112.27 (12)	O9'—N4—O10	124.3 (6)
N15—Zn1—N14	109.12 (12)	O9—N4—O10	108.0 (6)
N16—Zn1—N13	109.94 (11)	O9'—N4—C8	121.5 (5)
N15—Zn1—N13	108.79 (13)	O10'—N4—C8	121.3 (5)
N14—Zn1—N13	108.83 (11)	O9—N4—C8	122.2 (5)
N20—Zn2—N17	116.70 (10)	O10—N4—C8	114.2 (4)
N20—Zn2—N19	104.57 (10)	O12—N5—O11	123.7 (4)
N17—Zn2—N19	110.77 (12)	O12—N5—C10	118.4 (4)
N20—Zn2—N18	111.62 (12)	O11—N5—C10	117.8 (4)
N17—Zn2—N18	106.30 (12)	O14—N6—O13	121.2 (3)
N19—Zn2—N18	106.50 (12)	O14—N6—C12	119.9 (3)
O1—C1—C6	123.8 (3)	O13—N6—C12	118.9 (3)
O1—C1—C2	124.8 (3)	O16—N7—O17'	128.6 (5)
C6—C1—C2	111.3 (3)	O16—N7—O17	102.9 (5)
C3—C2—N1	117.1 (3)	O17'—N7—O16'	104.1 (6)
C3—C2—C1	123.7 (3)	O17—N7—O16'	117.5 (5)
N1—C2—C1	119.2 (3)	O16—N7—C14	117.4 (4)
C2—C3—C4	119.7 (3)	O17'—N7—C14	113.9 (5)
C2—C3—H3	120.1	O17—N7—C14	122.9 (4)
C4—C3—H3	120.2	O16'—N7—C14	118.8 (4)
C3—C4—C5	121.1 (3)	O19—N8—O18	123.5 (3)
C3—C4—N2	119.6 (3)	O19—N8—C16	118.3 (4)
C5—C4—N2	119.2 (3)	O18—N8—C16	118.2 (4)
C6—C5—C4	119.0 (3)	O20—N9—O21	116.9 (6)
C6—C5—H5	120.5	O20—N9—O21'	123.3 (6)
C4—C5—H5	120.6	O20—N9—C18	119.2 (3)
C5—C6—C1	125.2 (3)	O21—N9—C18	121.6 (6)
C5—C6—N3	116.6 (3)	O21'—N9—C18	115.3 (6)
C1—C6—N3	118.1 (3)	O23—N10—O24	122.7 (3)
O8—C7—C8	124.1 (3)	O23—N10—C20	118.8 (3)
O8—C7—C12	123.9 (3)	O24—N10—C20	118.5 (3)
C8—C7—C12	111.9 (2)	O25—N11—O26	124.8 (4)
C9—C8—C7	124.3 (3)	O25—N11—C22	118.1 (4)
C9—C8—N4	116.4 (3)	O26—N11—C22	117.1 (4)
C7—C8—N4	119.3 (3)	O28—N12—O27	120.8 (6)
C8—C9—C10	118.9 (3)	O27—N12—O28'	117.8 (7)
C8—C9—H9	120.5	O28—N12—C24	120.2 (6)
C10—C9—H9	120.6	O27—N12—C24	118.0 (3)
C11—C10—C9	121.8 (3)	O28'—N12—C24	120.0 (7)
C11—C10—N5	118.6 (4)	Zn1—N13—H13A	109.5
C9—C10—N5	119.6 (4)	Zn1—N13—H13B	109.5
C10—C11—C12	119.1 (3)	H13A—N13—H13B	109.5
C10—C11—H11	120.4	Zn1—N13—H13C	109.5
C12—C11—H11	120.5	H13A—N13—H13C	109.5
C11—C12—C7	123.9 (3)	H13B—N13—H13C	109.5
C11—C12—N6	116.5 (3)	Zn1—N14—H14A	109.5
C7—C12—N6	119.6 (3)	Zn1—N14—H14B	109.5
O15—C13—C18	124.6 (3)	H14A—N14—H14B	109.5
O15—C13—C14	124.3 (3)	Zn1—N14—H14C	109.5
C18—C13—C14	111.1 (3)	H14A—N14—H14C	109.5
C15—C14—C13	124.8 (3)	H14B—N14—H14C	109.5
C15—C14—N7	116.6 (3)	Zn1—N15—H15A	109.5
C13—C14—N7	118.6 (3)	Zn1—N15—H15B	109.5
C14—C15—C16	119.1 (3)	H15A—N15—H15B	109.5
C14—C15—H15	120.5	Zn1—N15—H15C	109.5
C16—C15—H15	120.4	H15A—N15—H15C	109.5
C15—C16—C17	121.7 (3)	H15B—N15—H15C	109.5
C15—C16—N8	119.6 (3)	Zn1—N16—H16A	109.5
C17—C16—N8	118.8 (3)	Zn1—N16—H16B	109.5
C18—C17—C16	118.6 (3)	H16A—N16—H16B	109.5
C18—C17—H17	120.8	Zn1—N16—H16C	109.5
C16—C17—H17	120.6	H16A—N16—H16C	109.5
C17—C18—N9	116.1 (3)	H16B—N16—H16C	109.5
C17—C18—C13	124.7 (3)	Zn2—N17—H17A	109.5
N9—C18—C13	119.3 (3)	Zn2—N17—H17B	109.5
O22—C19—C24	125.1 (3)	H17A—N17—H17B	109.5
O22—C19—C20	123.5 (3)	Zn2—N17—H17C	109.5
C24—C19—C20	111.4 (3)	H17A—N17—H17C	109.5
C21—C20—N10	115.9 (3)	H17B—N17—H17C	109.5
C21—C20—C19	124.7 (3)	Zn2—N18—H18A	109.5
N10—C20—C19	119.4 (3)	Zn2—N18—H18B	109.5
C20—C21—C22	119.0 (3)	H18A—N18—H18B	109.5
C20—C21—H21	120.6	Zn2—N18—H18C	109.5
C22—C21—H21	120.4	H18A—N18—H18C	109.5
C23—C22—C21	121.2 (3)	H18B—N18—H18C	109.5
C23—C22—N11	120.0 (4)	Zn2—N19—H19A	109.5
C21—C22—N11	118.8 (4)	Zn2—N19—H19B	109.5
C22—C23—C24	120.3 (3)	H19A—N19—H19B	109.5
C22—C23—H23	119.9	Zn2—N19—H19C	109.5
C24—C23—H23	119.8	H19A—N19—H19C	109.5
C23—C24—C19	123.2 (3)	H19B—N19—H19C	109.5
C23—C24—N12	117.2 (3)	Zn2—N20—H20A	109.5
C19—C24—N12	119.6 (3)	Zn2—N20—H20B	109.5
O2—N1—O3	122.6 (3)	H20A—N20—H20B	109.5
O2—N1—C2	119.8 (3)	Zn2—N20—H20C	109.5
O3—N1—C2	117.6 (3)	H20A—N20—H20C	109.5
O4—N2—O5	123.6 (3)	H20B—N20—H20C	109.5
O4—N2—C4	118.5 (4)	O28'—O28—N12	78 (2)
O5—N2—C4	117.9 (4)	H29A—O29—H29B	107 (2)
O6—N3—O7	122.5 (3)	H30A—O30—H30B	112 (2)
O6—N3—C6	118.5 (3)	H31A—O31—H31B	109 (2)
O7—N3—C6	119.0 (3)	O28—O28'—N12	72 (2)
O9'—N4—O10'	97.9 (8)
O1—C1—C2—C3	173.7 (3)	C1—C2—N1—O3	155.4 (3)
C6—C1—C2—C3	−3.0 (4)	C3—C4—N2—O4	15.3 (5)
O1—C1—C2—N1	−4.7 (5)	C5—C4—N2—O4	−165.3 (3)
C6—C1—C2—N1	178.6 (3)	C3—C4—N2—O5	−165.5 (3)
N1—C2—C3—C4	−179.1 (3)	C5—C4—N2—O5	13.9 (5)
C1—C2—C3—C4	2.5 (5)	C5—C6—N3—O6	30.8 (5)
C2—C3—C4—C5	−0.8 (5)	C1—C6—N3—O6	−146.1 (4)
C2—C3—C4—N2	178.6 (3)	C5—C6—N3—O7	−148.3 (3)
C3—C4—C5—C6	−0.1 (5)	C1—C6—N3—O7	34.8 (5)
N2—C4—C5—C6	−179.5 (3)	C9—C8—N4—O9'	−159.8 (7)
C4—C5—C6—C1	−0.8 (5)	C7—C8—N4—O9'	20.8 (8)
C4—C5—C6—N3	−177.5 (3)	C9—C8—N4—O10'	−35.7 (8)
O1—C1—C6—C5	−174.6 (3)	C7—C8—N4—O10'	144.8 (8)
C2—C1—C6—C5	2.2 (5)	C9—C8—N4—O9	151.3 (7)
O1—C1—C6—N3	2.1 (5)	C7—C8—N4—O9	−28.2 (8)
C2—C1—C6—N3	178.8 (3)	C9—C8—N4—O10	18.2 (7)
O8—C7—C8—C9	−177.5 (3)	C7—C8—N4—O10	−161.2 (6)
C12—C7—C8—C9	0.8 (4)	C11—C10—N5—O12	8.6 (5)
O8—C7—C8—N4	1.9 (5)	C9—C10—N5—O12	−172.3 (4)
C12—C7—C8—N4	−179.8 (3)	C11—C10—N5—O11	−171.9 (4)
C7—C8—C9—C10	1.4 (5)	C9—C10—N5—O11	7.2 (5)
N4—C8—C9—C10	−178.0 (3)	C11—C12—N6—O14	152.7 (3)
C8—C9—C10—C11	−1.5 (5)	C7—C12—N6—O14	−26.1 (5)
C8—C9—C10—N5	179.5 (3)	C11—C12—N6—O13	−28.0 (5)
C9—C10—C11—C12	−0.8 (5)	C7—C12—N6—O13	153.2 (3)
N5—C10—C11—C12	178.2 (3)	C15—C14—N7—O16	144.5 (6)
C10—C11—C12—C7	3.4 (5)	C13—C14—N7—O16	−36.2 (7)
C10—C11—C12—N6	−175.4 (3)	C15—C14—N7—O17'	−31.8 (7)
O8—C7—C12—C11	175.1 (3)	C13—C14—N7—O17'	147.5 (6)
C8—C7—C12—C11	−3.3 (4)	C15—C14—N7—O17	15.1 (7)
O8—C7—C12—N6	−6.1 (5)	C13—C14—N7—O17	−165.7 (5)
C8—C7—C12—N6	175.5 (3)	C15—C14—N7—O16'	−155.0 (5)
O15—C13—C14—C15	−179.2 (3)	C13—C14—N7—O16'	24.2 (6)
C18—C13—C14—C15	0.0 (4)	C15—C16—N8—O19	−177.7 (3)
O15—C13—C14—N7	1.6 (5)	C17—C16—N8—O19	2.9 (5)
C18—C13—C14—N7	−179.1 (3)	C15—C16—N8—O18	2.4 (5)
C13—C14—C15—C16	0.8 (5)	C17—C16—N8—O18	−177.1 (3)
N7—C14—C15—C16	180.0 (3)	C17—C18—N9—O20	−20.1 (5)
C14—C15—C16—C17	0.0 (5)	C13—C18—N9—O20	158.7 (3)
C14—C15—C16—N8	−179.4 (3)	C17—C18—N9—O21	177.6 (6)
C15—C16—C17—C18	−1.7 (5)	C13—C18—N9—O21	−3.6 (7)
N8—C16—C17—C18	177.8 (3)	C17—C18—N9—O21'	143.6 (6)
C16—C17—C18—N9	−178.6 (3)	C13—C18—N9—O21'	−37.5 (7)
C16—C17—C18—C13	2.7 (5)	C21—C20—N10—O23	−145.4 (3)
O15—C13—C18—C17	177.4 (3)	C19—C20—N10—O23	35.4 (5)
C14—C13—C18—C17	−1.8 (4)	C21—C20—N10—O24	33.7 (4)
O15—C13—C18—N9	−1.3 (5)	C19—C20—N10—O24	−145.5 (3)
C14—C13—C18—N9	179.5 (3)	C23—C22—N11—O25	179.1 (4)
O22—C19—C20—C21	−174.2 (3)	C21—C22—N11—O25	−1.2 (6)
C24—C19—C20—C21	3.8 (5)	C23—C22—N11—O26	−1.3 (5)
O22—C19—C20—N10	4.9 (5)	C21—C22—N11—O26	178.4 (3)
C24—C19—C20—N10	−177.0 (3)	C23—C24—N12—O28	−152.2 (6)
N10—C20—C21—C22	176.1 (3)	C19—C24—N12—O28	27.9 (7)
C19—C20—C21—C22	−4.7 (5)	C23—C24—N12—O27	16.5 (5)
C20—C21—C22—C23	2.4 (5)	C19—C24—N12—O27	−163.4 (4)
C20—C21—C22—N11	−177.3 (3)	C23—C24—N12—O28'	172.8 (7)
C21—C22—C23—C24	0.3 (5)	C19—C24—N12—O28'	−7.0 (8)
N11—C22—C23—C24	180.0 (3)	O27—N12—O28—O28'	93 (2)
C22—C23—C24—C19	−0.9 (5)	C24—N12—O28—O28'	−99 (2)
C22—C23—C24—N12	179.2 (3)	O9—N4—O9'—O10'	−121.2 (11)
O22—C19—C24—C23	177.1 (3)	O10—N4—O9'—O10'	−43.4 (7)
C20—C19—C24—C23	−1.0 (4)	C8—N4—O9'—O10'	134.4 (8)
O22—C19—C24—N12	−3.1 (5)	O9—N4—O10'—O9'	38.9 (6)
C20—C19—C24—N12	178.9 (3)	O10—N4—O10'—O9'	130.1 (9)
C3—C2—N1—O2	156.1 (4)	C8—N4—O10'—O9'	−134.5 (8)
C1—C2—N1—O2	−25.4 (5)	O27—N12—O28'—O28	−104 (2)
C3—C2—N1—O3	−23.1 (5)	C24—N12—O28'—O28	99 (2)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O29—H29A···O15	0.83 (1)	2.06 (2)	2.814 (4)	150 (3)
O29—H29A···O21′	0.83 (1)	2.31 (3)	2.946 (14)	133 (3)
O29—H29A···O21	0.83 (1)	2.38 (2)	3.039 (12)	137 (3)
O30—H30A···O10′	0.82 (1)	2.26 (2)	2.944 (9)	141 (3)
O30—H30A···O9′	0.82 (1)	2.40 (1)	3.220 (9)	173 (3)
O30—H30A···O9	0.82 (1)	2.63 (2)	3.403 (9)	158 (3)
O31—H31A···O1^i	0.84 (1)	2.04 (2)	2.829 (3)	156 (3)
O31—H31A···O2^i	0.84 (1)	2.58 (3)	3.095 (4)	120 (3)
O29—H29B···O8^ii	0.84 (1)	2.14 (2)	2.932 (4)	159 (3)
O30—H30B···O8^iii	0.83 (1)	2.00 (1)	2.813 (4)	167 (3)
O30—H30B···O9^iii	0.83 (1)	2.39 (3)	2.861 (8)	117 (2)
O30—H30B···O9′^iii	0.83 (1)	2.63 (3)	3.172 (11)	125 (2)
O31—H31B···O14	0.84 (1)	2.16 (2)	2.967 (4)	162 (3)
N13—H13A···O16′^iv	0.89	2.58	3.137 (7)	122
N13—H13B···O15	0.89	2.26	3.065 (4)	151
N13—H13B···O16	0.89	2.66	3.106 (6)	112
N13—H13C···O30^iv	0.89	2.41	3.233 (5)	153
N14—H14A···O29	0.89	2.31	3.043 (4)	140
N14—H14B···O8	0.89	2.21	3.067 (4)	160
N14—H14B···O14	0.89	2.43	3.032 (4)	126
N14—H14C···O7^i	0.89	2.39	3.116 (4)	139
N14—H14C···O1^i	0.89	2.41	3.207 (4)	148
N15—H15A···O26^iv	0.89	2.35	2.976 (4)	128
N15—H15A···O5^iv	0.89	2.64	3.459 (4)	153
N15—H15B···O30^iv	0.89	2.19	3.052 (4)	163
N15—H15C···O28′^v	0.89	2.33	3.177 (13)	158
N15—H15C···O28^v	0.89	2.49	3.260 (12)	145
N16—H16A···O6^i	0.89	2.49	3.370 (5)	170
N16—H16A···O7^i	0.89	2.55	3.162 (4)	126
N16—H16A···O26^iii	0.89	2.58	3.049 (4)	114
N16—H16B···O30^iii	0.89	2.31	3.154 (5)	158
N16—H16C···O17′^iv	0.89	2.26	3.045 (8)	147
N16—H16C···O10^iii	0.89	2.49	2.935 (7)	112
N16—H16C···O17^iv	0.89	2.54	3.263 (8)	139
N17—H17A···O21′	0.89	2.25	3.050 (12)	150
N17—H17A···O21	0.89	2.33	3.202 (11)	165
N17—H17B···O24^vi	0.89	2.26	2.993 (4)	139
N17—H17C···O12^vi	0.89	2.48	3.281 (4)	149
N17—H17C···O11^vi	0.89	2.62	3.293 (4)	133
N18—H18A···O19^vii	0.89	2.40	3.184 (4)	147
N18—H18B···O3^vii	0.89	2.60	3.328 (5)	139
N18—H18C···O31^ii	0.89	2.31	3.196 (5)	180
N19—H19A···O22^v	0.89	2.06	2.903 (3)	158
N19—H19A···O23^v	0.89	2.48	3.119 (4)	129
N19—H19B···O3^vii	0.89	2.25	3.072 (4)	154
N20—H20A···O29	0.89	2.19	3.049 (4)	162
N20—H20B···O1^v	0.89	2.26	3.103 (4)	158
N20—H20C···O22^v	0.89	2.28	3.062 (3)	146
N20—H20C···O28′^v	0.89	2.41	3.133 (14)	139

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