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The Pr atom in the title complex, (C10H9N2)[Pr(NO3)4(C10H8N2)(H2O)]·0.5C10H8N2, is 11-coordinated. Hydro­gen bonds between the coordinated water mol­ecule, the uncoord­inated 2,2′-bipyridyl­ium [(HBipy)+] and the centrosymmetric 2,2′-bipyridyl (Bipy) solvent mol­ecules link the structural components into layers parallel to the ab plane.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680402762X/fl6127sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S160053680402762X/fl6127Isup2.hkl
Contains datablock I

CCDC reference: 258642

Key indicators

  • Single-crystal X-ray study
  • T = 130 K
  • Mean [sigma](C-C) = 0.005 Å
  • R factor = 0.029
  • wR factor = 0.067
  • Data-to-parameter ratio = 12.7

checkCIF/PLATON results

No syntax errors found



Alert level A REFLT03_ALERT_3_A Reflection count < 85% complete (theta max?) From the CIF: _diffrn_reflns_theta_max 27.48 From the CIF: _diffrn_reflns_theta_full 0.00 From the CIF: _reflns_number_total 5632 TEST2: Reflns within _diffrn_reflns_theta_max Count of symmetry unique reflns 6801 Completeness (_total/calc) 82.81% PLAT022_ALERT_3_A Ratio Unique / Expected Reflections too Low .... 0.83 PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.83
Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.12 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for C17 - C18 .. 6.55 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Pr - O31 .. 7.32 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Pr - O32 .. 5.74 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Pr - O42 .. 5.99 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Pr - O51 .. 6.01 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Pr - O61 .. 5.09 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Pr - O62 .. 5.90 su PLAT353_ALERT_3_C Long N-H Bond (0.87A) N8 - H8 ... 1.07 Ang.
Alert level G REFLT03_ALERT_1_G ALERT: Expected hkl max differ from CIF values From the CIF: _diffrn_reflns_theta_max 27.48 From the CIF: _reflns_number_total 5632 From the CIF: _diffrn_reflns_limit_ max hkl 21. 12. 42. From the CIF: _diffrn_reflns_limit_ min hkl -21. -13. -33. TEST1: Expected hkl limits for theta max Calculated maximum hkl 23. 13. 42. Calculated minimum hkl -23. -13. -42.
3 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 10 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 2 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 4 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: KappaCCD Software (Nonius, 1997); cell refinement: HKL (Otwinowski & Minor, 1997); data reduction: HKL; program(s) used to solve structure: SHELXS86 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a); molecular graphics: SHELXTL (Sheldrick, 1997b); software used to prepare material for publication: SHELXTL.

2,2'-Bipyridyl-2-ium aqua(2,2'-bipyridyl-κ2N,N')tetakis(nitrato-κ2O,O')praseodymium(III) 2,2'-bipyridyl solvate top
Crystal data top
(C10H9N2)[Pr(NO3)4(C10H8N2)(H2O)]·0.5C10H8N2F(000) = 3192
Mr = 798.43Dx = 1.792 Mg m3
Monoclinic, C2/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2ycCell parameters from all [please provide number] reflections
a = 17.7935 (4) Åθ = 2–27.5°
b = 10.2712 (3) ŵ = 1.73 mm1
c = 32.8924 (8) ÅT = 130 K
β = 100.0016 (11)°Prism, green
V = 5920.1 (3) Å30.36 × 0.22 × 0.18 mm
Z = 8
Data collection top
Nonius KappaCCD
diffractometer
5632 independent reflections
Radiation source: fine-focus sealed tube5000 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.045
φω scans to cover a hemisphere of the reciprocal spaceθmax = 27.5°, θmin = 2.3°
Absorption correction: empirical (using intensity measurements)
(MULABS; Blessing, 1995)
h = 2121
Tmin = 0.638, Tmax = 0.732k = 1312
15166 measured reflectionsl = 3342
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)] = 0.029Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.067H atoms treated by a mixture of independent and constrained refinement
S = 1.13 w = 1/[σ2(Fo2) + (0.0144P)2 + 13.7668P]
where P = (Fo2 + 2Fc2)/3
5632 reflections(Δ/σ)max = 0.001
442 parametersΔρmax = 0.52 e Å3
0 restraintsΔρmin = 0.64 e Å3
Special details top

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 on F2 for ALL reflections except for 6 flagged for potential systematic errors

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Pr0.329865 (9)0.373465 (14)0.111752 (5)0.01409 (6)
N10.27926 (15)0.6215 (2)0.11025 (8)0.0178 (5)
N20.18090 (14)0.4153 (2)0.09983 (8)0.0155 (5)
N30.31562 (16)0.1416 (2)0.05214 (8)0.0192 (6)
N40.32199 (17)0.1558 (2)0.17358 (9)0.0229 (6)
N50.49371 (15)0.4554 (2)0.10817 (8)0.0203 (6)
N60.35665 (15)0.5133 (2)0.19454 (8)0.0189 (6)
N70.63127 (17)0.1031 (3)0.20245 (9)0.0288 (7)
N80.68206 (17)0.1453 (3)0.20935 (9)0.0298 (7)
H80.718 (2)0.063 (3)0.2073 (12)0.036*
N90.41251 (16)0.5846 (2)0.00387 (8)0.0232 (6)
O1W0.30918 (14)0.4441 (2)0.03931 (8)0.0229 (5)
H110.275 (2)0.435 (4)0.0239 (13)0.034*
H120.338 (2)0.484 (4)0.0303 (12)0.034*
O310.25483 (12)0.20000 (19)0.05501 (7)0.0222 (5)
O320.37510 (13)0.1680 (2)0.07837 (7)0.0243 (5)
O330.31835 (14)0.0613 (2)0.02441 (7)0.0297 (6)
O410.38354 (13)0.2175 (2)0.17246 (7)0.0268 (5)
O420.26494 (13)0.18605 (19)0.14651 (7)0.0247 (5)
O430.31851 (15)0.0720 (2)0.19981 (8)0.0370 (6)
O510.48010 (13)0.34101 (18)0.11932 (7)0.0223 (5)
O520.43580 (12)0.52476 (19)0.09346 (7)0.0210 (5)
O530.55862 (13)0.4985 (2)0.11144 (9)0.0360 (7)
O610.40918 (13)0.4958 (2)0.17360 (7)0.0234 (5)
O620.29378 (12)0.45499 (19)0.18239 (7)0.0218 (5)
O630.36575 (14)0.5856 (2)0.22480 (7)0.0277 (5)
C10.32816 (18)0.7228 (3)0.11394 (10)0.0221 (7)
H1A0.38020.70530.11740.027*
C20.3048 (2)0.8519 (3)0.11285 (11)0.0245 (7)
H2A0.34040.91900.11550.029*
C30.2280 (2)0.8787 (3)0.10778 (11)0.0254 (7)
H3A0.21060.96420.10690.030*
C40.17696 (19)0.7754 (3)0.10407 (11)0.0236 (7)
H4A0.12480.79120.10060.028*
C50.20414 (18)0.6481 (2)0.10561 (9)0.0154 (6)
C60.15027 (17)0.5357 (3)0.10198 (9)0.0150 (6)
C70.07239 (18)0.5532 (3)0.10052 (10)0.0191 (7)
H7A0.05290.63650.10270.023*
C80.02379 (18)0.4473 (3)0.09585 (10)0.0211 (7)
H8A0.02850.45830.09430.025*
C90.05462 (18)0.3243 (3)0.09346 (9)0.0192 (7)
H9A0.02360.25080.09050.023*
C100.13217 (18)0.3136 (3)0.09550 (9)0.0184 (6)
H10A0.15240.23080.09380.022*
C110.6061 (2)0.2274 (3)0.19810 (11)0.0320 (8)
H11A0.64120.29360.19670.038*
C120.5304 (2)0.2595 (3)0.19568 (11)0.0333 (9)
H12A0.51470.34590.19310.040*
C130.4784 (2)0.1613 (4)0.19713 (11)0.0336 (9)
H13A0.42700.18130.19570.040*
C140.50189 (18)0.0336 (3)0.20070 (10)0.0213 (7)
H14A0.46720.03380.20130.026*
C150.57786 (18)0.0095 (3)0.20326 (9)0.0185 (6)
C160.60653 (18)0.1258 (3)0.20687 (9)0.0181 (6)
C170.55938 (19)0.2311 (3)0.20634 (11)0.0262 (7)
H17A0.50690.22040.20410.031*
C180.5921 (3)0.3560 (3)0.20927 (14)0.0528 (13)
H18A0.56120.42900.20930.063*
C190.6696 (3)0.3705 (4)0.21215 (13)0.0565 (15)
H19A0.69150.45310.21420.068*
C200.7137 (3)0.2635 (4)0.21196 (12)0.0442 (10)
H20A0.76620.27230.21370.053*
C210.3842 (2)0.7064 (3)0.00232 (11)0.0280 (8)
H21A0.33400.71790.00600.034*
C220.4260 (2)0.8153 (3)0.00450 (10)0.0260 (8)
H22A0.40430.89790.00560.031*
C230.5001 (2)0.7984 (3)0.00959 (11)0.0275 (8)
H23A0.52970.86970.01430.033*
C240.5306 (2)0.6737 (3)0.00772 (11)0.0256 (8)
H24A0.58100.66060.01090.031*
C250.48495 (19)0.5685 (3)0.00108 (9)0.0203 (7)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Pr0.01210 (11)0.01206 (8)0.01806 (9)0.00112 (6)0.00250 (7)0.00142 (6)
N10.0172 (14)0.0147 (11)0.0221 (13)0.0020 (10)0.0055 (12)0.0006 (10)
N20.0151 (14)0.0119 (11)0.0194 (13)0.0020 (9)0.0032 (12)0.0011 (9)
N30.0207 (16)0.0153 (12)0.0222 (14)0.0022 (10)0.0056 (13)0.0006 (10)
N40.0290 (17)0.0183 (13)0.0222 (15)0.0033 (11)0.0064 (14)0.0003 (10)
N50.0155 (15)0.0180 (13)0.0283 (15)0.0005 (10)0.0062 (13)0.0049 (10)
N60.0186 (15)0.0164 (12)0.0214 (14)0.0001 (10)0.0029 (13)0.0004 (10)
N70.0266 (17)0.0292 (15)0.0315 (17)0.0023 (12)0.0074 (15)0.0037 (12)
N80.0241 (17)0.0346 (16)0.0307 (17)0.0002 (12)0.0049 (15)0.0059 (12)
N90.0256 (17)0.0226 (13)0.0228 (14)0.0021 (11)0.0080 (13)0.0029 (11)
O1W0.0166 (14)0.0277 (12)0.0245 (13)0.0040 (10)0.0037 (11)0.0022 (10)
O310.0177 (12)0.0198 (11)0.0299 (13)0.0031 (9)0.0062 (11)0.0042 (9)
O320.0166 (13)0.0222 (11)0.0313 (13)0.0022 (9)0.0036 (11)0.0082 (9)
O330.0298 (14)0.0269 (12)0.0305 (13)0.0070 (10)0.0004 (12)0.0160 (10)
O410.0218 (13)0.0279 (12)0.0301 (13)0.0043 (9)0.0026 (11)0.0055 (10)
O420.0254 (14)0.0199 (11)0.0269 (13)0.0006 (9)0.0010 (11)0.0027 (9)
O430.0479 (18)0.0340 (13)0.0300 (14)0.0006 (11)0.0093 (14)0.0149 (11)
O510.0199 (13)0.0110 (9)0.0370 (14)0.0010 (8)0.0074 (11)0.0001 (9)
O520.0142 (12)0.0198 (10)0.0291 (13)0.0039 (8)0.0037 (10)0.0026 (9)
O530.0120 (13)0.0230 (12)0.073 (2)0.0013 (9)0.0087 (14)0.0014 (12)
O610.0179 (12)0.0295 (12)0.0242 (12)0.0019 (9)0.0073 (11)0.0067 (9)
O620.0157 (12)0.0252 (11)0.0253 (12)0.0050 (9)0.0052 (11)0.0025 (9)
O630.0327 (15)0.0281 (12)0.0225 (12)0.0040 (10)0.0058 (12)0.0110 (10)
C10.0163 (18)0.0180 (14)0.0333 (19)0.0011 (11)0.0075 (16)0.0019 (13)
C20.0244 (19)0.0155 (15)0.0340 (19)0.0018 (12)0.0064 (17)0.0011 (12)
C30.0247 (19)0.0142 (14)0.036 (2)0.0036 (12)0.0021 (17)0.0003 (13)
C40.0185 (18)0.0170 (14)0.0341 (19)0.0032 (12)0.0011 (16)0.0018 (13)
C50.0168 (17)0.0145 (13)0.0144 (14)0.0032 (11)0.0016 (13)0.0005 (10)
C60.0164 (17)0.0147 (13)0.0148 (14)0.0031 (11)0.0049 (13)0.0004 (11)
C70.0179 (17)0.0175 (14)0.0225 (16)0.0065 (12)0.0054 (15)0.0023 (12)
C80.0107 (16)0.0277 (16)0.0259 (17)0.0025 (12)0.0058 (15)0.0036 (13)
C90.0183 (18)0.0193 (14)0.0200 (16)0.0041 (12)0.0037 (14)0.0010 (12)
C100.0213 (18)0.0126 (13)0.0218 (16)0.0015 (11)0.0054 (15)0.0012 (11)
C110.039 (2)0.0216 (16)0.035 (2)0.0060 (14)0.0049 (19)0.0038 (14)
C120.044 (2)0.0215 (16)0.032 (2)0.0117 (15)0.0003 (19)0.0043 (14)
C130.022 (2)0.049 (2)0.0289 (19)0.0134 (16)0.0017 (17)0.0089 (16)
C140.0172 (18)0.0281 (16)0.0190 (16)0.0027 (12)0.0042 (15)0.0024 (12)
C150.0190 (17)0.0189 (14)0.0183 (15)0.0000 (12)0.0052 (14)0.0025 (11)
C160.0169 (17)0.0203 (14)0.0163 (15)0.0027 (12)0.0007 (14)0.0008 (11)
C170.0199 (19)0.0288 (17)0.0307 (19)0.0060 (13)0.0061 (16)0.0049 (14)
C180.095 (4)0.0234 (19)0.045 (3)0.026 (2)0.024 (3)0.0024 (17)
C190.100 (5)0.038 (2)0.035 (2)0.038 (2)0.022 (3)0.0118 (18)
C200.041 (3)0.055 (3)0.035 (2)0.026 (2)0.002 (2)0.0031 (19)
C210.026 (2)0.0273 (17)0.0316 (19)0.0076 (13)0.0075 (17)0.0035 (14)
C220.035 (2)0.0218 (16)0.0219 (17)0.0067 (14)0.0068 (17)0.0009 (13)
C230.039 (2)0.0172 (15)0.0296 (19)0.0033 (13)0.0139 (18)0.0012 (13)
C240.030 (2)0.0196 (15)0.0314 (19)0.0002 (13)0.0168 (17)0.0012 (13)
C250.027 (2)0.0205 (15)0.0148 (15)0.0006 (13)0.0079 (15)0.0007 (11)
Geometric parameters (Å, º) top
Pr—O1W2.457 (2)C3—C41.388 (4)
Pr—O322.572 (2)C3—H3A0.9300
Pr—O612.591 (2)C4—C51.392 (4)
Pr—O522.593 (2)C4—H4A0.9300
Pr—O412.608 (2)C5—C61.492 (4)
Pr—O422.609 (2)C6—C71.390 (4)
Pr—N22.646 (2)C7—C81.382 (4)
Pr—O622.652 (2)C7—H7A0.9300
Pr—O512.662 (2)C8—C91.385 (4)
Pr—N12.700 (2)C8—H8A0.9300
Pr—O312.752 (2)C9—C101.374 (4)
N1—C51.347 (4)C9—H9A0.9300
N1—C11.348 (4)C10—H10A0.9300
N2—C101.349 (4)C11—C121.375 (5)
N2—C61.358 (3)C11—H11A0.9300
N3—O331.237 (3)C12—C131.376 (5)
N3—O311.255 (3)C12—H12A0.9300
N3—O321.273 (3)C13—C141.375 (5)
N4—O431.228 (3)C13—H13A0.9300
N4—O421.267 (4)C14—C151.362 (4)
N4—O411.272 (3)C14—H14A0.9300
N5—O531.224 (3)C15—C161.478 (4)
N5—O511.267 (3)C16—C171.367 (4)
N5—O521.277 (3)C17—C181.405 (5)
N6—O631.230 (3)C17—H17A0.9300
N6—O611.266 (3)C18—C191.374 (7)
N6—O621.271 (3)C18—H18A0.9300
N7—C111.353 (4)C19—C201.351 (6)
N7—C151.355 (4)C19—H19A0.9300
N8—C201.335 (4)C20—H20A0.9300
N8—C161.347 (4)C21—C221.383 (4)
N8—H81.07 (4)C21—H21A0.9300
N9—C251.337 (4)C22—C231.369 (5)
N9—C211.346 (4)C22—H22A0.9300
O1W—H110.73 (4)C23—C241.388 (4)
O1W—H120.75 (4)C23—H23A0.9300
C1—C21.388 (4)C24—C251.392 (4)
C1—H1A0.9300C24—H24A0.9300
C2—C31.376 (5)C25—C25i1.503 (6)
C2—H2A0.9300
O1W—Pr—O3280.41 (8)N3—O32—Pr100.32 (15)
O1W—Pr—O61126.01 (7)N4—O41—Pr97.22 (18)
O32—Pr—O61124.40 (7)N4—O42—Pr97.32 (16)
O1W—Pr—O5265.83 (8)N5—O51—Pr95.51 (16)
O32—Pr—O5295.67 (6)N5—O52—Pr98.58 (15)
O61—Pr—O5264.71 (7)N6—O61—Pr98.22 (17)
O1W—Pr—O41153.79 (7)N6—O62—Pr95.19 (15)
O32—Pr—O4173.90 (7)N1—C1—C2123.3 (3)
O61—Pr—O4167.64 (7)N1—C1—H1A118.4
O52—Pr—O41111.19 (7)C2—C1—H1A118.4
O1W—Pr—O42129.77 (8)C3—C2—C1118.8 (3)
O32—Pr—O4277.10 (7)C3—C2—H2A120.6
O61—Pr—O42103.65 (7)C1—C2—H2A120.6
O52—Pr—O42159.88 (7)C2—C3—C4118.6 (3)
O41—Pr—O4248.89 (7)C2—C3—H3A120.7
O1W—Pr—N280.26 (8)C4—C3—H3A120.7
O32—Pr—N2116.73 (7)C3—C4—C5119.8 (3)
O61—Pr—N2115.63 (7)C3—C4—H4A120.1
O52—Pr—N2128.17 (7)C5—C4—H4A120.1
O41—Pr—N2115.94 (7)N1—C5—C4121.7 (3)
O42—Pr—N271.12 (7)N1—C5—C6117.6 (2)
O1W—Pr—O62137.60 (7)C4—C5—C6120.6 (3)
O32—Pr—O62140.77 (7)N2—C6—C7121.5 (3)
O61—Pr—O6248.74 (6)N2—C6—C5116.8 (3)
O52—Pr—O62108.09 (6)C7—C6—C5121.7 (2)
O41—Pr—O6268.61 (7)C8—C7—C6120.2 (3)
O42—Pr—O6269.88 (6)C8—C7—H7A119.9
N2—Pr—O6271.93 (7)C6—C7—H7A119.9
O1W—Pr—O5196.12 (8)C7—C8—C9118.6 (3)
O32—Pr—O5163.49 (7)C7—C8—H8A120.7
O61—Pr—O5165.55 (7)C9—C8—H8A120.7
O52—Pr—O5148.56 (6)C10—C9—C8118.3 (3)
O41—Pr—O5167.87 (7)C10—C9—H9A120.8
O42—Pr—O51112.36 (7)C8—C9—H9A120.8
N2—Pr—O51176.18 (7)N2—C10—C9124.4 (3)
O62—Pr—O51110.46 (7)N2—C10—H10A117.8
O1W—Pr—N173.16 (8)C9—C10—H10A117.8
O32—Pr—N1153.47 (8)N7—C11—C12122.3 (3)
O61—Pr—N172.02 (8)N7—C11—H11A118.8
O52—Pr—N171.56 (7)C12—C11—H11A118.8
O41—Pr—N1132.09 (7)C11—C12—C13118.7 (3)
O42—Pr—N1122.19 (7)C11—C12—H12A120.6
N2—Pr—N161.42 (7)C13—C12—H12A120.6
O62—Pr—N165.62 (7)C14—C13—C12120.3 (3)
O51—Pr—N1116.49 (7)C14—C13—H13A119.8
O1W—Pr—O3163.90 (7)C12—C13—H13A119.8
O32—Pr—O3147.95 (7)C15—C14—C13117.6 (3)
O61—Pr—O31168.63 (7)C15—C14—H14A121.2
O52—Pr—O31121.15 (6)C13—C14—H14A121.2
O41—Pr—O31101.04 (7)N7—C15—C14124.2 (3)
O42—Pr—O3167.66 (7)N7—C15—C16115.8 (3)
N2—Pr—O3169.47 (6)C14—C15—C16120.1 (3)
O62—Pr—O31129.48 (6)N8—C16—C17119.1 (3)
O51—Pr—O31110.08 (6)N8—C16—C15118.2 (3)
N1—Pr—O31118.52 (7)C17—C16—C15122.7 (3)
C5—N1—C1117.8 (2)C16—C17—C18118.4 (3)
C5—N1—Pr120.96 (17)C16—C17—H17A120.8
C1—N1—Pr121.2 (2)C18—C17—H17A120.8
C10—N2—C6117.0 (3)C19—C18—C17120.2 (3)
C10—N2—Pr119.91 (19)C19—C18—H18A119.9
C6—N2—Pr122.75 (19)C17—C18—H18A119.9
O33—N3—O31121.3 (3)C20—C19—C18119.2 (4)
O33—N3—O32120.5 (2)C20—C19—H19A120.4
O31—N3—O32118.2 (2)C18—C19—H19A120.4
O43—N4—O42122.3 (3)N8—C20—C19120.1 (4)
O43—N4—O41121.2 (3)N8—C20—H20A119.9
O42—N4—O41116.5 (2)C19—C20—H20A119.9
O53—N5—O51122.3 (3)N9—C21—C22123.3 (3)
O53—N5—O52121.3 (2)N9—C21—H21A118.3
O51—N5—O52116.4 (2)C22—C21—H21A118.3
O63—N6—O61121.3 (3)C23—C22—C21118.3 (3)
O63—N6—O62121.6 (2)C23—C22—H22A120.9
O61—N6—O62117.1 (2)C21—C22—H22A120.9
C11—N7—C15116.8 (3)C22—C23—C24119.3 (3)
C20—N8—C16123.0 (3)C22—C23—H23A120.4
C20—N8—H8118.2 (19)C24—C23—H23A120.4
C16—N8—H8119 (2)C23—C24—C25119.3 (3)
C25—N9—C21118.2 (3)C23—C24—H24A120.4
Pr—O1W—H11127 (3)C25—C24—H24A120.4
Pr—O1W—H12123 (3)N9—C25—C24121.6 (3)
H11—O1W—H12110 (4)N9—C25—C25i116.9 (3)
N3—O31—Pr92.15 (17)C24—C25—C25i121.4 (4)
Symmetry code: (i) x+1, y+1, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N8—H8···O62ii1.07 (4)2.03 (4)3.028 (4)155 (3)
O1W—H12···N90.75 (4)2.00 (4)2.751 (3)177 (4)
O1W—H11···O33iii0.73 (4)2.09 (4)2.809 (3)171 (4)
Symmetry codes: (ii) x+1/2, y1/2, z; (iii) x+1/2, y+1/2, z.
 

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