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The asymmetric unit of the title compound, [ReO2(C5H6N2)4]I·C5H6N2·2H2O, contains half each of two tetra­kis(3-amino­pyridine)dioxorhenium(V) cations, an I anion, an uncoordinated 3-amino­pyridine mol­ecule and two water mol­ecules. Each cation has a centre of inversion at the Re atom. The crystal structure is stabilized by O—H...I, O—H...O, N—H...O, N—H...I and C—H...O hydrogen bonds.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806024603/hb2081sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806024603/hb2081Isup2.hkl
Contains datablock I

CCDC reference: 618203

Key indicators

  • Single-crystal X-ray study
  • T = 100 K
  • Mean [sigma](C-C) = 0.006 Å
  • R factor = 0.038
  • wR factor = 0.077
  • Data-to-parameter ratio = 30.0

checkCIF/PLATON results

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Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.18 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.19 Ratio PLAT231_ALERT_4_C Hirshfeld Test (Solvent) C32 - C33 .. 7.86 su PLAT420_ALERT_2_C D-H Without Acceptor N23 - H5A ... ? PLAT420_ALERT_2_C D-H Without Acceptor N23 - H7A ... ? PLAT420_ALERT_2_C D-H Without Acceptor N24 - H9A ... ? PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 2 C20 H24 N8 O2 Re
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 9 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 3 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 3 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: CrysAlis CCD (Oxford Diffraction, 2004); cell refinement: CrysAlis RED (Oxford Diffraction, 2004); data reduction: CrysAlis RED; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1999); software used to prepare material for publication: SHELXL97.

Tetrakis(3-aminopyridine-κN1)dioxorhenium(V) iodide 3-aminopyridine solvate dihydrate top
Crystal data top
[ReO2(C5H6N2)4]I·C5H6N2·2H2OZ = 2
Mr = 851.72F(000) = 828
Triclinic, P1Dx = 1.858 Mg m3
a = 9.4860 (6) ÅMo Kα radiation, λ = 0.71073 Å
b = 13.2425 (8) ÅCell parameters from 2345 reflections
c = 13.4771 (8) Åθ = 3.2–25.0°
α = 81.447 (5)°µ = 5.05 mm1
β = 70.786 (5)°T = 100 K
γ = 72.502 (5)°Prism, red
V = 1522.36 (16) Å30.08 × 0.08 × 0.04 mm
Data collection top
Kuma KM4-CCD
diffractometer
12818 independent reflections
Radiation source: fine-focus sealed tube8799 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.043
ω scansθmax = 36.6°, θmin = 3.2°
Absorption correction: numerical
(CrysAlis RED; Oxford Diffraction, 2004)
h = 1315
Tmin = 0.681, Tmax = 0.826k = 2121
27143 measured reflectionsl = 2022
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.038Hydrogen site location: difmap and geom
wR(F2) = 0.077H atoms treated by a mixture of independent and constrained refinement
S = 0.93 w = 1/[σ2(Fo2) + (0.0336P)2]
where P = (Fo2 + 2Fc2)/3
12818 reflections(Δ/σ)max < 0.001
427 parametersΔρmax = 4.35 e Å3
7 restraintsΔρmin = 2.18 e Å3
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Re10.00000.50000.50000.01140 (4)
O10.0430 (2)0.60359 (17)0.40725 (17)0.0146 (4)
N10.2428 (3)0.4724 (2)0.4153 (2)0.0145 (5)
C10.2874 (4)0.4932 (2)0.3100 (3)0.0159 (6)
H10.21000.52510.27620.019*
C20.4428 (4)0.4696 (3)0.2490 (3)0.0181 (6)
C30.5549 (4)0.4228 (3)0.2993 (3)0.0216 (7)
H30.66170.40540.26020.026*
C40.5095 (4)0.4019 (3)0.4069 (3)0.0228 (7)
H40.58510.37030.44230.027*
C50.3530 (4)0.4273 (3)0.4631 (3)0.0197 (7)
H50.32270.41240.53710.024*
N210.4801 (4)0.4963 (3)0.1418 (3)0.0257 (7)
N20.0059 (3)0.3877 (2)0.4031 (2)0.0145 (5)
C60.0339 (4)0.4182 (3)0.3098 (3)0.0166 (6)
H60.05580.49140.28830.020*
C70.0316 (4)0.3457 (3)0.2441 (3)0.0179 (6)
H70.04970.36950.17820.021*
C80.0030 (4)0.2391 (3)0.2749 (3)0.0192 (7)
H80.00360.18930.23120.023*
C90.0266 (4)0.2055 (3)0.3710 (3)0.0166 (6)
C100.0252 (3)0.2831 (2)0.4321 (3)0.0139 (6)
H100.04710.26110.49700.017*
N220.0527 (4)0.1010 (2)0.4086 (3)0.0220 (6)
Re20.50000.00000.50000.01528 (5)
O20.2988 (3)0.06049 (18)0.47504 (18)0.0190 (5)
N30.4779 (3)0.1257 (2)0.5745 (2)0.0184 (6)
C110.3363 (4)0.1403 (3)0.5587 (3)0.0209 (7)
H110.24760.09670.51210.025*
C120.3185 (4)0.2174 (3)0.6090 (3)0.0237 (7)
H120.21840.22580.59790.028*
C130.4462 (5)0.2816 (3)0.6749 (3)0.0257 (8)
H130.43460.33460.70950.031*
C140.5935 (4)0.2692 (3)0.6913 (3)0.0200 (7)
C150.6039 (4)0.1887 (3)0.6387 (3)0.0193 (7)
H150.70290.17860.64890.023*
N230.7266 (4)0.3366 (3)0.7515 (3)0.0263 (7)
N40.4528 (3)0.0887 (2)0.3518 (2)0.0178 (6)
C160.5701 (4)0.1632 (3)0.3251 (3)0.0209 (7)
H160.67200.17680.37310.025*
C170.5434 (4)0.2196 (3)0.2291 (3)0.0233 (7)
H170.62700.27150.21180.028*
C180.3971 (4)0.2012 (3)0.1583 (3)0.0225 (7)
H180.37960.24010.09230.027*
C190.2743 (4)0.1249 (3)0.1844 (3)0.0207 (7)
C200.3092 (4)0.0703 (3)0.2833 (3)0.0185 (7)
H200.22760.01800.30260.022*
N240.1270 (4)0.0985 (3)0.1151 (3)0.0255 (7)
N50.4061 (4)0.9051 (2)0.1301 (2)0.0254 (7)
C310.4565 (5)0.8110 (3)0.0878 (3)0.0313 (9)
H310.38430.77240.09290.038*
C320.6183 (5)0.7667 (3)0.0346 (3)0.0332 (10)
C330.7182 (5)0.8282 (3)0.0262 (3)0.0329 (9)
H330.82520.80240.01020.039*
C340.6669 (6)0.9226 (4)0.0681 (4)0.0399 (10)
H340.73550.96440.06150.048*
C350.5095 (5)0.9577 (3)0.1217 (3)0.0330 (9)
H350.47361.02340.15430.040*
N360.6630 (5)0.6694 (3)0.0070 (3)0.0421 (9)
I10.13012 (3)0.62088 (2)0.040429 (19)0.02421 (6)
O30.0145 (4)0.7718 (2)0.2651 (2)0.0379 (7)
O40.0879 (3)0.9686 (2)0.2356 (2)0.0236 (5)
H1A0.064 (6)0.740 (4)0.197 (2)0.055 (15)*
H2A0.010 (7)0.710 (3)0.315 (4)0.071 (18)*
H3A0.197 (3)0.960 (4)0.197 (4)0.054 (15)*
H4A0.051 (6)0.906 (3)0.254 (4)0.059 (16)*
H5A0.795 (6)0.308 (4)0.767 (4)0.031 (13)*
H6A0.072 (5)0.054 (3)0.363 (3)0.025 (11)*
H7A0.696 (7)0.360 (4)0.805 (5)0.067 (17)*
H8A0.559 (6)0.457 (4)0.105 (4)0.043 (14)*
H9A0.101 (5)0.146 (3)0.061 (3)0.021 (10)*
H10A0.058 (6)0.060 (4)0.146 (4)0.037 (13)*
H11A0.097 (5)0.083 (3)0.453 (4)0.028 (12)*
H12A0.400 (6)0.510 (4)0.118 (4)0.054 (16)*
H13A0.628 (5)0.607 (3)0.029 (4)0.065*
H14A0.754 (4)0.611 (3)0.000 (4)0.065*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Re10.01105 (8)0.00994 (8)0.01221 (9)0.00138 (6)0.00334 (7)0.00106 (6)
O10.0133 (11)0.0131 (10)0.0161 (11)0.0010 (8)0.0047 (9)0.0015 (8)
N10.0143 (13)0.0114 (12)0.0182 (13)0.0019 (10)0.0060 (11)0.0032 (10)
C10.0140 (15)0.0120 (14)0.0191 (16)0.0030 (11)0.0017 (12)0.0016 (11)
C20.0152 (15)0.0137 (15)0.0221 (17)0.0038 (12)0.0003 (13)0.0037 (12)
C30.0107 (15)0.0205 (17)0.0293 (19)0.0018 (12)0.0021 (14)0.0029 (14)
C40.0138 (16)0.0251 (18)0.0294 (19)0.0032 (13)0.0087 (14)0.0006 (14)
C50.0188 (16)0.0191 (16)0.0210 (17)0.0027 (13)0.0084 (14)0.0003 (13)
N210.0170 (15)0.0268 (17)0.0239 (17)0.0002 (13)0.0004 (13)0.0012 (13)
N20.0132 (12)0.0136 (13)0.0171 (13)0.0031 (10)0.0048 (11)0.0030 (10)
C60.0146 (15)0.0169 (15)0.0183 (16)0.0027 (12)0.0064 (13)0.0009 (12)
C70.0140 (15)0.0233 (17)0.0173 (16)0.0038 (13)0.0067 (13)0.0019 (12)
C80.0163 (16)0.0195 (16)0.0232 (17)0.0053 (13)0.0048 (14)0.0073 (13)
C90.0116 (14)0.0173 (15)0.0199 (16)0.0049 (12)0.0011 (12)0.0046 (12)
C100.0104 (13)0.0133 (14)0.0165 (15)0.0017 (11)0.0027 (12)0.0026 (11)
N220.0245 (16)0.0138 (14)0.0286 (17)0.0033 (12)0.0101 (14)0.0030 (12)
Re20.01416 (9)0.01330 (9)0.01690 (9)0.00034 (7)0.00534 (7)0.00183 (7)
O20.0173 (11)0.0170 (11)0.0205 (12)0.0011 (9)0.0054 (10)0.0023 (9)
N30.0215 (14)0.0125 (13)0.0191 (14)0.0003 (11)0.0080 (12)0.0005 (10)
C110.0201 (17)0.0205 (17)0.0227 (18)0.0059 (13)0.0087 (14)0.0025 (13)
C120.0226 (18)0.0221 (18)0.0267 (19)0.0083 (14)0.0068 (15)0.0013 (14)
C130.034 (2)0.0196 (18)0.031 (2)0.0110 (15)0.0163 (17)0.0001 (14)
C140.0272 (18)0.0153 (16)0.0150 (16)0.0026 (13)0.0067 (14)0.0012 (12)
C150.0197 (16)0.0162 (16)0.0202 (17)0.0026 (13)0.0059 (13)0.0000 (12)
N230.0276 (18)0.0219 (16)0.0276 (18)0.0016 (14)0.0090 (15)0.0051 (13)
N40.0178 (14)0.0173 (14)0.0198 (14)0.0036 (11)0.0074 (11)0.0040 (10)
C160.0197 (17)0.0153 (16)0.0280 (19)0.0011 (13)0.0109 (14)0.0010 (13)
C170.0264 (19)0.0158 (16)0.0295 (19)0.0034 (14)0.0155 (16)0.0048 (13)
C180.0296 (19)0.0187 (17)0.0221 (18)0.0106 (14)0.0099 (15)0.0036 (13)
C190.0227 (17)0.0182 (16)0.0223 (17)0.0055 (13)0.0076 (14)0.0023 (13)
C200.0199 (16)0.0168 (16)0.0198 (17)0.0035 (13)0.0073 (13)0.0036 (12)
N240.0222 (16)0.0276 (17)0.0242 (17)0.0070 (13)0.0048 (14)0.0022 (13)
N50.0255 (16)0.0215 (15)0.0272 (17)0.0036 (13)0.0077 (13)0.0016 (12)
C310.044 (2)0.0227 (19)0.025 (2)0.0041 (17)0.0118 (18)0.0007 (15)
C320.055 (3)0.0194 (18)0.0205 (19)0.0007 (18)0.0151 (19)0.0006 (14)
C330.030 (2)0.035 (2)0.039 (2)0.0122 (18)0.0201 (19)0.0134 (18)
C340.045 (3)0.048 (3)0.035 (2)0.021 (2)0.017 (2)0.002 (2)
C350.037 (2)0.034 (2)0.031 (2)0.0121 (18)0.0141 (18)0.0018 (17)
N360.057 (3)0.0260 (19)0.041 (2)0.0011 (17)0.020 (2)0.0057 (16)
I10.01864 (11)0.02875 (12)0.01841 (11)0.00054 (9)0.00210 (8)0.00095 (8)
O30.059 (2)0.0232 (15)0.0279 (16)0.0208 (14)0.0006 (15)0.0005 (12)
O40.0215 (13)0.0177 (12)0.0300 (14)0.0042 (10)0.0053 (11)0.0040 (10)
Geometric parameters (Å, º) top
Re1—O11.761 (2)C11—H110.9500
Re1—O1i1.761 (2)C12—C131.369 (5)
Re1—N22.144 (3)C12—H120.9500
Re1—N2i2.144 (3)C13—C141.397 (5)
Re1—N1i2.151 (3)C13—H130.9500
Re1—N12.151 (3)C14—N231.383 (5)
N1—C51.349 (4)C14—C151.408 (5)
N1—C11.351 (4)C15—H150.9500
C1—C21.396 (4)N23—H5A0.79 (5)
C1—H10.9500N23—H7A0.97 (6)
C2—N211.387 (5)N4—C201.344 (4)
C2—C31.388 (5)N4—C161.356 (4)
C3—C41.380 (5)C16—C171.381 (5)
C3—H30.9500C16—H160.9500
C4—C51.388 (5)C17—C181.374 (5)
C4—H40.9500C17—H170.9500
C5—H50.9500C18—C191.399 (5)
N21—H8A0.82 (5)C18—H180.9500
N21—H12A0.88 (6)C19—N241.375 (5)
N2—C61.348 (4)C19—C201.406 (5)
N2—C101.352 (4)C20—H200.9500
C6—C71.390 (5)N24—H9A0.91 (4)
C6—H60.9500N24—H10A0.88 (5)
C7—C81.381 (5)N5—C351.332 (5)
C7—H70.9500N5—C311.334 (5)
C8—C91.395 (5)C31—C321.440 (6)
C8—H80.9500C31—H310.9500
C9—N221.379 (4)C32—N361.373 (5)
C9—C101.405 (4)C32—C331.392 (6)
C10—H100.9500C33—C341.334 (6)
N22—H6A0.87 (4)C33—H330.9500
N22—H11A0.81 (4)C34—C351.393 (6)
Re2—O2ii1.771 (2)C34—H340.9500
Re2—O21.771 (2)C35—H350.9500
Re2—N42.145 (3)N36—H13A0.98 (4)
Re2—N4ii2.145 (3)N36—H14A0.99 (4)
Re2—N3ii2.160 (3)O3—H1A0.979 (19)
Re2—N32.160 (3)O3—H2A0.98 (4)
N3—C151.345 (4)O4—H3A0.97 (4)
N3—C111.357 (5)O4—H4A0.96 (4)
C11—C121.384 (5)
O1—Re1—O1i180.0O2—Re2—N389.42 (11)
O1—Re1—N290.25 (10)N4—Re2—N389.59 (10)
O1i—Re1—N289.75 (10)N4ii—Re2—N390.40 (10)
O1—Re1—N2i89.75 (10)N3ii—Re2—N3180.0
O1i—Re1—N2i90.25 (10)C15—N3—C11119.4 (3)
N2—Re1—N2i180.0C15—N3—Re2120.3 (2)
O1—Re1—N1i90.34 (10)C11—N3—Re2120.3 (2)
O1i—Re1—N1i89.67 (10)N3—C11—C12121.3 (3)
N2—Re1—N1i92.95 (10)N3—C11—H11119.3
N2i—Re1—N1i87.06 (10)C12—C11—H11119.3
O1—Re1—N189.67 (10)C13—C12—C11119.6 (3)
O1i—Re1—N190.33 (10)C13—C12—H12120.2
N2—Re1—N187.06 (10)C11—C12—H12120.2
N2i—Re1—N192.94 (10)C12—C13—C14120.2 (3)
N1i—Re1—N1180.0C12—C13—H13119.9
C5—N1—C1118.6 (3)C14—C13—H13119.9
C5—N1—Re1121.7 (2)N23—C14—C13122.2 (3)
C1—N1—Re1119.6 (2)N23—C14—C15120.1 (3)
N1—C1—C2122.6 (3)C13—C14—C15117.6 (3)
N1—C1—H1118.7N3—C15—C14121.9 (3)
C2—C1—H1118.7N3—C15—H15119.1
N21—C2—C3122.4 (3)C14—C15—H15119.1
N21—C2—C1119.4 (3)C14—N23—H5A108 (3)
C3—C2—C1118.1 (3)C14—N23—H7A105 (3)
C4—C3—C2119.3 (3)H5A—N23—H7A122 (5)
C4—C3—H3120.3C20—N4—C16119.0 (3)
C2—C3—H3120.3C20—N4—Re2121.2 (2)
C3—C4—C5119.7 (3)C16—N4—Re2119.7 (2)
C3—C4—H4120.1N4—C16—C17120.8 (3)
C5—C4—H4120.1N4—C16—H16119.6
N1—C5—C4121.6 (3)C17—C16—H16119.6
N1—C5—H5119.2C18—C17—C16120.7 (3)
C4—C5—H5119.2C18—C17—H17119.7
C2—N21—H8A116 (3)C16—C17—H17119.7
C2—N21—H12A112 (3)C17—C18—C19119.5 (3)
H8A—N21—H12A113 (5)C17—C18—H18120.3
C6—N2—C10118.0 (3)C19—C18—H18120.3
C6—N2—Re1121.4 (2)N24—C19—C18122.5 (3)
C10—N2—Re1120.5 (2)N24—C19—C20120.4 (3)
N2—C6—C7122.0 (3)C18—C19—C20117.1 (3)
N2—C6—H6119.0N4—C20—C19122.9 (3)
C7—C6—H6119.0N4—C20—H20118.5
C8—C7—C6119.9 (3)C19—C20—H20118.5
C8—C7—H7120.1C19—N24—H9A118 (2)
C6—C7—H7120.1C19—N24—H10A112 (3)
C7—C8—C9119.3 (3)H9A—N24—H10A121 (4)
C7—C8—H8120.4C35—N5—C31118.3 (4)
C9—C8—H8120.4N5—C31—C32121.2 (4)
N22—C9—C8122.9 (3)N5—C31—H31119.4
N22—C9—C10119.5 (3)C32—C31—H31119.4
C8—C9—C10117.6 (3)N36—C32—C33124.6 (4)
N2—C10—C9123.2 (3)N36—C32—C31118.4 (4)
N2—C10—H10118.4C33—C32—C31117.0 (4)
C9—C10—H10118.4C34—C33—C32121.5 (4)
C9—N22—H6A116 (3)C34—C33—H33119.2
C9—N22—H11A118 (3)C32—C33—H33119.2
H6A—N22—H11A117 (4)C33—C34—C35117.8 (4)
O2ii—Re2—O2180.0C33—C34—H34121.1
O2ii—Re2—N490.40 (11)C35—C34—H34121.1
O2—Re2—N489.60 (11)N5—C35—C34124.2 (4)
O2ii—Re2—N4ii89.60 (11)N5—C35—H35117.9
O2—Re2—N4ii90.40 (11)C34—C35—H35117.9
N4—Re2—N4ii180.0C32—N36—H13A125 (3)
O2ii—Re2—N3ii89.42 (11)C32—N36—H14A125 (3)
O2—Re2—N3ii90.58 (11)H13A—N36—H14A71 (4)
N4—Re2—N3ii90.41 (10)H1A—O3—H2A103 (4)
N4ii—Re2—N3ii89.59 (10)H3A—O4—H4A118 (4)
O2ii—Re2—N390.58 (11)
O1—Re1—N1—C5154.8 (3)O2ii—Re2—N3—C11163.3 (3)
O1i—Re1—N1—C525.2 (3)O2—Re2—N3—C1116.7 (3)
N2—Re1—N1—C5114.9 (3)N4—Re2—N3—C1172.9 (3)
N2i—Re1—N1—C565.1 (3)N4ii—Re2—N3—C11107.1 (3)
O1—Re1—N1—C130.2 (2)C15—N3—C11—C121.4 (5)
O1i—Re1—N1—C1149.8 (2)Re2—N3—C11—C12177.3 (3)
N2—Re1—N1—C160.0 (2)N3—C11—C12—C131.0 (5)
N2i—Re1—N1—C1120.0 (2)C11—C12—C13—C140.0 (6)
C5—N1—C1—C20.1 (5)C12—C13—C14—N23175.6 (3)
Re1—N1—C1—C2174.9 (2)C12—C13—C14—C150.6 (5)
N1—C1—C2—N21177.9 (3)C11—N3—C15—C140.7 (5)
N1—C1—C2—C30.0 (5)Re2—N3—C15—C14178.0 (2)
N21—C2—C3—C4177.6 (3)N23—C14—C15—N3176.0 (3)
C1—C2—C3—C40.3 (5)C13—C14—C15—N30.3 (5)
C2—C3—C4—C50.3 (5)O2ii—Re2—N4—C20173.1 (3)
C1—N1—C5—C40.1 (5)O2—Re2—N4—C206.9 (3)
Re1—N1—C5—C4174.9 (3)N3ii—Re2—N4—C2083.7 (3)
C3—C4—C5—N10.1 (5)N3—Re2—N4—C2096.3 (3)
O1—Re1—N2—C60.9 (2)O2ii—Re2—N4—C165.2 (3)
O1i—Re1—N2—C6179.1 (2)O2—Re2—N4—C16174.8 (3)
N1i—Re1—N2—C691.3 (2)N3ii—Re2—N4—C1694.7 (3)
N1—Re1—N2—C688.7 (2)N3—Re2—N4—C1685.3 (3)
O1—Re1—N2—C10178.0 (2)C20—N4—C16—C170.0 (5)
O1i—Re1—N2—C102.0 (2)Re2—N4—C16—C17178.4 (3)
N1i—Re1—N2—C1091.6 (2)N4—C16—C17—C180.1 (5)
N1—Re1—N2—C1088.4 (2)C16—C17—C18—C190.3 (5)
C10—N2—C6—C70.1 (5)C17—C18—C19—N24176.3 (3)
Re1—N2—C6—C7177.2 (2)C17—C18—C19—C200.3 (5)
N2—C6—C7—C81.3 (5)C16—N4—C20—C190.0 (5)
C6—C7—C8—C91.4 (5)Re2—N4—C20—C19178.4 (2)
C7—C8—C9—N22178.5 (3)N24—C19—C20—N4176.3 (3)
C7—C8—C9—C100.2 (5)C18—C19—C20—N40.2 (5)
C6—N2—C10—C91.3 (5)C35—N5—C31—C320.2 (5)
Re1—N2—C10—C9178.5 (2)N5—C31—C32—N36179.8 (4)
N22—C9—C10—N2177.1 (3)N5—C31—C32—C332.2 (6)
C8—C9—C10—N21.2 (5)N36—C32—C33—C34179.6 (4)
O2ii—Re2—N3—C1518.0 (3)C31—C32—C33—C341.8 (6)
O2—Re2—N3—C15162.0 (3)C32—C33—C34—C350.5 (6)
N4—Re2—N3—C15108.4 (3)C31—N5—C35—C342.4 (6)
N4ii—Re2—N3—C1571.6 (3)C33—C34—C35—N52.8 (6)
Symmetry codes: (i) x, y+1, z+1; (ii) x1, y, z+1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O3—H1A···I10.98 (3)2.62 (4)3.558 (3)162 (5)
O3—H2A···O10.98 (4)1.81 (5)2.775 (3)167 (6)
O4—H3A···N50.97 (4)1.85 (4)2.801 (5)164 (4)
O4—H4A···O30.96 (5)1.89 (4)2.835 (4)168 (4)
N22—H6A···O4iii0.88 (4)2.13 (4)2.996 (4)167 (4)
N21—H8A···I1iv0.82 (5)2.93 (6)3.717 (4)162 (5)
N24—H10A···O4iii0.88 (6)2.12 (6)2.999 (5)174 (5)
N22—H11A···O2v0.81 (5)2.34 (5)3.099 (5)156 (5)
N21—H12A···I10.88 (6)2.97 (6)3.825 (4)163 (4)
N36—H13A···N210.98 (4)2.37 (5)3.320 (6)163 (4)
N36—H14A···I1iv0.99 (4)3.00 (4)3.772 (4)135 (3)
C6—H6···O10.942.392.918 (4)114
C10—H10···O1i0.942.342.886 (4)115
C15—H15···O2ii0.952.442.955 (5)113
C16—H16···O2ii0.952.362.894 (5)114
C20—H20···O20.952.362.902 (4)115
Symmetry codes: (i) x, y+1, z+1; (ii) x1, y, z+1; (iii) x, y1, z; (iv) x+1, y+1, z; (v) x, y, z+1.
 

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