Literature DB >> 21201288

catena-Poly[[(1,10-phenanthroline-κN,N')praseodymium(III)]-di-μ-phenoxy-acetato-κO:O'-[(1,10-phenanthroline-κN,N')praseodymium(III)]-di-μ-phenoxy-acetato-κO:O'-di-μ-phenoxy-acetato-κO,O':O;κO:O,O'].

H Zhong, X-M Yang, Q-Y Luo, Y-P Xu.   

Abstract

The title complex, [Pr(2)(C(8)H(7)O(3))(6)(C(12)n class="Species">H(8)N(2))(2)](n), which has an inversion centre midway between the two Pr(III) atoms of the structural unit, forms a one-dimensional polymer bridged alternately by either two bidentate, or two bidentate and two terdentate, phenoxy-acetate carboxyl-ate groups. Each Pr(III) atom is thus nine-coordinated by two N atoms of a 1,10-phenanthroline ligand and seven O atoms from six phenoxy-acetate ligands. The coordination geometry at the Pr(III) atom is distorted tricapped trigonal prismatic. One phenyl ring is disordered over two positions; the site occupancy factors are ca 0.6 and 0.4.

Entities:  

Year:  2008        PMID： 21201288      PMCID： PMC2960179          DOI： 10.1107/S1600536807068614

Source DB:  PubMed          Journal:  Acta Crystallogr Sect E Struct Rep Online        ISSN： 1600-5368


Related literature

For related literature, see: Allen et al. (1987 ▶); Daiguebonne et al. (2000 ▶); Farrugia et al. (2000 ▶); Kay et al. (1972 ▶); Ma et al. (1999 ▶); Mao et al. (1998 ▶); Starynowicz (1991 ▶, 1993 ▶); Tsukube & Shinoda (2002 ▶); Zhang et al. (2005 ▶); Zeng et al. (2000 ▶); Zhong et al. (2007 ▶).

Experimental

Crystal data

[Pr2(C8H7O3)6(C12n class="Species">H8N2)2] M = 1549.04 Monoclinic, a = 20.204 (4) Å b = 8.499 (4) Å c = 20.799 (3) Å β = 107.198 (6)° V = 3411.8 (17) Å3 Z = 2 Mo Kα radiation μ = 1.49 mm−1 T = 273 (2) K 0.33 × 0.12 × 0.08 mm

Data collection

Bruker APEXII area-detector diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.642, T max = 0.890 27763 measured reflections 7712 independent reflections 5037 reflections with I > 2σ(I) R int = 0.043

Refinement

R[F 2 > 2σ(F 2)] = 0.036 wR(F 2) = 0.097 S = 0.90 7712 reflections 452 parameters 144 restraints H-atom parameters constrained Δρmax = 1.03 e Å−3 Δρmin = −0.64 e Å−3 Data collection: SMART (Siemens, 1996 ▶); cell refinement: SAINT (Siemens, 1996 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); n class="Chemical">program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL (Siemens, 1996 ▶); software used to prepare material for publication: SHELXTL. Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536807068614/rt2009sup1.cif Structure factors: contains datablocks I. DOI: 10.1107/S1600536807068614/rt2009Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
[Pr2(C8H7O3)6(C12H8N2)2]F(000) = 1560
Mr = 1549.04Dx = 1.508 Mg m−3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 9075 reflections
a = 20.204 (4) Åθ = 2.4–26.9°
b = 8.499 (4) ŵ = 1.49 mm−1
c = 20.799 (3) ÅT = 273 K
β = 107.198 (6)°Needle, green
V = 3411.8 (17) Å30.33 × 0.12 × 0.08 mm
Z = 2
Bruker APEXII area-detector diffractometer7712 independent reflections
Radiation source: fine-focus sealed tube5037 reflections with I > 2σ(I)
graphiteRint = 0.043
φ and ω scansθmax = 27.5°, θmin = 2.1°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)h = −26→25
Tmin = 0.642, Tmax = 0.891k = −10→11
27763 measured reflectionsl = −26→26
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.036Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.097H-atom parameters constrained
S = 0.90w = 1/[σ2(Fo2) + (0.0573P)2 + 0.9707P] where P = (Fo2 + 2Fc2)/3
7712 reflections(Δ/σ)max = 0.002
452 parametersΔρmax = 1.04 e Å−3
144 restraintsΔρmin = −0.64 e Å−3
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.
xyzUiso*/UeqOcc. (<1)
Pr10.931206 (10)0.19065 (2)0.964285 (9)0.03966 (8)
O10.97069 (13)0.0604 (3)0.87489 (11)0.0491 (6)
O21.06691 (13)−0.0826 (3)0.92159 (12)0.0516 (6)
O31.11827 (15)−0.0166 (4)0.82183 (14)0.0691 (8)
O40.84633 (12)−0.0358 (3)0.91883 (12)0.0466 (6)
O50.94657 (13)−0.1383 (3)0.97718 (12)0.0518 (7)
O60.78462 (16)−0.3257 (3)0.89785 (16)0.0648 (8)
O70.94001 (13)0.4205 (3)1.03407 (12)0.0500 (6)
O81.00785 (15)0.6123 (3)1.09093 (12)0.0590 (7)
O90.98717 (16)0.5273 (3)1.20640 (13)0.0645 (8)
N10.79697 (17)0.2344 (4)0.96683 (16)0.0506 (8)
N20.83406 (18)0.3071 (3)0.85447 (15)0.0498 (8)
C10.7781 (2)0.1926 (5)1.0199 (2)0.0643 (12)
H10.81260.17071.05980.077*
C20.7089 (3)0.1797 (6)1.0195 (3)0.0840 (16)
H20.69780.14951.05800.101*
C30.6575 (3)0.2127 (7)0.9606 (4)0.0962 (19)
H30.61120.20430.95910.115*
C40.6746 (2)0.2581 (7)0.9041 (3)0.0772 (14)
C50.7458 (2)0.2679 (5)0.9084 (2)0.0541 (10)
C60.6231 (3)0.2967 (8)0.8409 (4)0.111 (2)
H60.57630.28790.83720.133*
C70.6424 (3)0.3448 (8)0.7880 (3)0.106 (2)
H70.60850.37270.74870.127*
C80.7134 (3)0.3547 (6)0.7899 (2)0.0727 (14)
C90.7660 (2)0.3102 (4)0.8506 (2)0.0536 (10)
C100.7358 (3)0.4037 (6)0.7367 (2)0.0878 (17)
H100.70360.43920.69750.105*
C110.8031 (3)0.4012 (6)0.7405 (2)0.0819 (15)
H110.81750.43310.70400.098*
C120.8524 (3)0.3492 (5)0.8009 (2)0.0644 (12)
H120.89890.34480.80280.077*
C131.0286 (2)0.0032 (4)0.87703 (17)0.0442 (9)
C141.0524 (2)0.0512 (5)0.81759 (19)0.0564 (10)
H14A1.01860.01700.77630.068*
H14B1.05570.16490.81630.068*
C151.1460 (2)0.0142 (6)0.7704 (2)0.0646 (12)
C161.2081 (3)−0.0565 (7)0.7766 (3)0.0808 (14)
H161.2289−0.11790.81410.097*
C171.2403 (3)−0.0368 (7)0.7268 (3)0.0955 (18)
H171.2827−0.08500.73090.115*
C181.2101 (4)0.0526 (7)0.6722 (3)0.104 (2)
H181.23180.06500.63880.124*
C191.1491 (4)0.1238 (8)0.6659 (3)0.109 (2)
H191.12910.18560.62820.130*
C201.1148 (3)0.1059 (7)0.7157 (3)0.0847 (16)
H201.07250.15480.71140.102*
C210.8840 (2)−0.1509 (5)0.93913 (18)0.0457 (9)
C220.8576 (2)−0.3140 (5)0.9189 (2)0.0573 (10)
H22A0.8750−0.34900.88250.069*
H22B0.8760−0.38420.95670.069*
C23A0.75531 (19)−0.3041 (3)0.9521 (2)0.079 (6)0.384 (14)
C24A0.79664 (17)−0.2697 (2)1.0169 (2)0.076 (5)0.384 (14)
C25A0.7671 (2)−0.2571 (3)1.0691 (2)0.101 (6)0.384 (14)
C26A0.6962 (3)−0.2790 (4)1.0566 (3)0.110 (6)0.384 (14)
C27A0.65490 (19)−0.3133 (3)0.9918 (3)0.126 (7)0.384 (14)
C28A0.68444 (18)−0.3259 (3)0.9396 (2)0.120 (6)0.384 (14)
C23B0.7508 (2)−0.3175 (3)0.9425 (2)0.077 (4)0.616 (14)
C24B0.77565 (17)−0.2805 (2)1.0105 (2)0.112 (4)0.616 (14)
C25B0.7302 (2)−0.2706 (3)1.0492 (2)0.120 (4)0.616 (14)
C26B0.6599 (2)−0.2977 (4)1.0198 (3)0.133 (5)0.616 (14)
C27B0.63499 (18)−0.3347 (3)0.9518 (3)0.115 (4)0.616 (14)
C28B0.6804 (2)−0.3446 (3)0.9132 (2)0.086 (3)0.616 (14)
C290.96861 (15)0.4991 (3)1.08649 (13)0.0453 (9)
C300.94968 (19)0.4431 (3)1.14756 (13)0.0583 (11)
H30A0.90040.45741.14020.070*
H30B0.95980.33161.15420.070*
C310.9746 (2)0.4891 (5)1.26544 (19)0.0558 (10)
C321.0143 (3)0.5695 (6)1.3220 (2)0.0749 (13)
H321.04740.64181.31810.090*
C331.0046 (3)0.5419 (7)1.3836 (2)0.0929 (17)
H331.03060.59691.42120.111*
C340.9565 (3)0.4332 (9)1.3897 (3)0.108 (2)
H340.94920.41531.43120.130*
C350.9196 (3)0.3522 (8)1.3342 (3)0.108 (2)
H350.88790.27651.33860.129*
C360.9279 (2)0.3792 (7)1.2721 (2)0.0743 (14)
H360.90190.32301.23480.089*
U11U22U33U12U13U23
Pr10.04654 (13)0.03356 (12)0.03391 (11)−0.00161 (9)0.00420 (8)0.00057 (9)
O10.0588 (16)0.0479 (16)0.0398 (14)0.0067 (13)0.0132 (12)0.0022 (12)
O20.0634 (16)0.0494 (16)0.0428 (14)0.0069 (14)0.0167 (12)0.0097 (12)
O30.0709 (19)0.085 (2)0.0591 (18)0.0162 (17)0.0304 (15)0.0209 (16)
O40.0480 (14)0.0350 (15)0.0484 (14)0.0008 (12)0.0015 (11)−0.0027 (11)
O50.0480 (15)0.0524 (16)0.0462 (15)−0.0032 (12)0.0003 (12)0.0071 (12)
O60.0616 (19)0.0474 (18)0.073 (2)−0.0128 (14)0.0006 (15)−0.0080 (15)
O70.0718 (17)0.0341 (14)0.0424 (14)−0.0063 (13)0.0142 (12)−0.0043 (11)
O80.087 (2)0.0515 (18)0.0383 (14)−0.0250 (16)0.0177 (13)−0.0031 (12)
O90.091 (2)0.0617 (19)0.0416 (15)−0.0270 (16)0.0210 (14)−0.0058 (13)
N10.0508 (19)0.0435 (19)0.0498 (19)0.0053 (15)0.0029 (15)−0.0074 (15)
N20.065 (2)0.0375 (18)0.0373 (17)0.0016 (16)−0.0006 (14)0.0005 (14)
C10.059 (3)0.075 (3)0.058 (3)0.008 (2)0.015 (2)−0.002 (2)
C20.064 (3)0.111 (5)0.084 (4)0.003 (3)0.032 (3)−0.011 (3)
C30.049 (3)0.109 (5)0.128 (5)−0.002 (3)0.022 (3)−0.018 (4)
C40.053 (3)0.088 (4)0.076 (4)0.007 (3)−0.004 (2)−0.016 (3)
C50.052 (2)0.039 (2)0.061 (3)0.0057 (18)0.0014 (19)−0.0115 (18)
C60.060 (3)0.131 (6)0.114 (5)0.018 (3)−0.017 (3)−0.027 (5)
C70.080 (4)0.113 (5)0.087 (4)0.039 (4)−0.034 (3)−0.019 (4)
C80.077 (3)0.061 (3)0.056 (3)0.018 (2)−0.017 (2)−0.011 (2)
C90.060 (2)0.035 (2)0.048 (2)0.0049 (19)−0.0111 (18)−0.0053 (17)
C100.117 (5)0.071 (4)0.047 (3)0.018 (3)−0.020 (3)0.000 (2)
C110.122 (5)0.070 (4)0.040 (2)−0.001 (3)0.003 (3)0.009 (2)
C120.084 (3)0.051 (3)0.048 (2)−0.003 (2)0.004 (2)0.0067 (19)
C130.058 (2)0.035 (2)0.038 (2)−0.0060 (18)0.0116 (17)−0.0025 (15)
C140.066 (3)0.056 (3)0.049 (2)0.006 (2)0.0199 (19)0.0123 (19)
C150.075 (3)0.067 (3)0.061 (3)−0.006 (2)0.034 (2)0.002 (2)
C160.079 (3)0.098 (4)0.075 (3)0.001 (3)0.038 (3)0.002 (3)
C170.092 (4)0.100 (5)0.113 (5)−0.002 (4)0.060 (4)−0.006 (4)
C180.135 (5)0.087 (4)0.124 (5)−0.015 (4)0.092 (5)−0.007 (4)
C190.159 (6)0.101 (5)0.092 (4)0.008 (5)0.077 (4)0.026 (4)
C200.103 (4)0.088 (4)0.080 (3)0.010 (3)0.053 (3)0.024 (3)
C210.051 (2)0.050 (2)0.0325 (18)−0.0054 (18)0.0066 (16)−0.0032 (16)
C220.062 (3)0.045 (2)0.058 (3)0.002 (2)0.008 (2)−0.0060 (19)
C23A0.090 (12)0.047 (10)0.126 (11)−0.009 (9)0.071 (9)0.027 (9)
C24A0.116 (10)0.055 (9)0.086 (9)−0.011 (7)0.073 (8)0.000 (7)
C25A0.118 (11)0.079 (10)0.127 (11)0.017 (8)0.069 (9)0.021 (9)
C26A0.109 (12)0.111 (11)0.140 (12)0.047 (9)0.082 (10)0.052 (9)
C27A0.103 (11)0.138 (13)0.168 (14)0.041 (10)0.087 (9)0.065 (11)
C28A0.102 (12)0.113 (12)0.167 (13)0.032 (10)0.074 (10)0.046 (10)
C23B0.083 (8)0.033 (6)0.107 (8)0.002 (5)0.016 (6)−0.005 (6)
C24B0.145 (9)0.086 (8)0.109 (9)−0.021 (7)0.044 (7)0.012 (7)
C25B0.144 (10)0.120 (9)0.117 (9)0.000 (8)0.070 (8)0.028 (7)
C26B0.145 (10)0.128 (10)0.140 (10)0.041 (9)0.063 (9)0.023 (8)
C27B0.123 (8)0.086 (7)0.141 (9)0.033 (6)0.047 (7)0.016 (7)
C28B0.079 (6)0.056 (6)0.133 (8)0.014 (5)0.046 (5)0.012 (5)
C290.061 (2)0.033 (2)0.040 (2)−0.0035 (18)0.0133 (17)0.0007 (16)
C300.077 (3)0.055 (3)0.044 (2)−0.020 (2)0.0193 (19)−0.0057 (19)
C310.072 (3)0.056 (3)0.038 (2)−0.003 (2)0.0146 (19)0.0016 (18)
C320.092 (3)0.077 (3)0.054 (3)−0.019 (3)0.017 (2)−0.009 (2)
C330.122 (5)0.108 (5)0.042 (3)−0.021 (4)0.014 (3)−0.009 (3)
C340.133 (5)0.146 (6)0.055 (3)−0.031 (5)0.043 (3)0.009 (4)
C350.124 (5)0.141 (6)0.066 (4)−0.059 (4)0.041 (3)−0.003 (4)
C360.081 (3)0.091 (4)0.053 (3)−0.033 (3)0.023 (2)−0.003 (2)
Pr1—O12.489 (2)C15—C201.370 (6)
Pr1—O2i2.535 (2)C16—C171.387 (7)
Pr1—O42.565 (2)C16—H160.9300
Pr1—O52.817 (3)C17—C181.352 (8)
Pr1—O5i2.449 (2)C17—H170.9300
Pr1—O72.409 (3)C18—C191.345 (8)
Pr1—O8ii2.545 (3)C18—H180.9300
Pr1—N12.753 (3)C19—C201.415 (7)
Pr1—N22.720 (3)C19—H190.9300
O1—C131.255 (4)C20—H200.9300
O2—C131.252 (4)C21—C221.500 (5)
O2—Pr1i2.535 (2)C22—H22A0.9700
O3—C151.372 (5)C22—H22B0.9700
O3—C141.429 (5)C23A—C24B1.1792
O4—C211.235 (4)C23A—C24A1.3900
O5—C211.282 (4)C23A—C28A1.3900
O5—Pr1i2.449 (2)C23A—C28B1.5294
O6—C23B1.309 (5)C24A—C25A1.3900
O6—C221.412 (5)C24A—C23B1.6025
O6—C23A1.433 (5)C24A—C25B1.6693
O7—C291.263 (3)C25A—C25B0.7471
O8—C291.233 (3)C25A—C24B1.2955
O8—Pr1ii2.545 (3)C25A—C26A1.3900
O9—C311.364 (5)C26A—C25B0.7502
O9—C301.427 (4)C26A—C26B0.9047
N1—C11.319 (5)C26A—C27A1.3900
N1—C51.372 (5)C27A—C26B0.5756
N2—C121.323 (5)C27A—C27B0.8310
N2—C91.355 (5)C27A—C28A1.3900
C1—C21.401 (6)C27A—C25B1.6721
C1—H10.9300C28A—C28B0.5549
C2—C31.381 (8)C28A—C27B1.1036
C2—H20.9300C28A—C23B1.3252
C3—C41.373 (8)C23B—C24B1.3900
C3—H30.9300C23B—C28B1.3900
C4—C51.418 (6)C24B—C25B1.3900
C4—C61.452 (8)C25B—C26B1.3900
C5—C91.424 (6)C26B—C27B1.3900
C6—C71.335 (9)C27B—C28B1.3900
C6—H60.9300C29—C301.5078
C7—C81.426 (8)C30—H30A0.9700
C7—H70.9300C30—H30B0.9700
C8—C101.377 (7)C31—C361.364 (6)
C8—C91.440 (5)C31—C321.391 (6)
C10—C111.340 (7)C32—C331.372 (6)
C10—H100.9300C32—H320.9300
C11—C121.423 (6)C33—C341.374 (8)
C11—H110.9300C33—H330.9300
C12—H120.9300C34—C351.361 (8)
C13—C141.509 (5)C34—H340.9300
C14—H14A0.9700C35—C361.371 (6)
C14—H14B0.9700C35—H350.9300
C15—C161.363 (6)C36—H360.9300
O1—Pr1—O473.62 (8)C21—C22—H22A108.8
O1—Pr1—O565.11 (8)O6—C22—H22B108.8
O1—Pr1—O7145.88 (9)C21—C22—H22B108.8
O4—Pr1—O548.17 (8)H22A—C22—H22B107.7
O4—Pr1—O7138.84 (9)C24B—C23A—C28A104.0
O5—Pr1—O7139.57 (8)C24A—C23A—C28A120.0
O1—Pr1—N1127.55 (9)C24B—C23A—O6137.2 (2)
O4—Pr1—N163.48 (9)C24A—C23A—O6121.4 (2)
O5—Pr1—N1102.34 (9)C28A—C23A—O6118.6 (2)
O7—Pr1—N177.09 (9)C24B—C23A—C28B125.0
O1—Pr1—N281.11 (9)C24A—C23A—C28B141.0
O4—Pr1—N274.08 (9)O6—C23A—C28B97.4 (2)
O5—Pr1—N2118.22 (8)C23A—C24A—C25A120.0
O7—Pr1—N296.74 (9)C25A—C24A—C23B121.0
N1—Pr1—N259.78 (10)C23A—C24A—C25B93.7
O7—Pr1—O5i87.92 (9)C23B—C24A—C25B94.7
O5i—Pr1—O177.99 (9)C25B—C25A—C24B81.0
O7—Pr1—O2i75.61 (8)C24B—C25A—C26A102.7
O5i—Pr1—O2i74.63 (8)C25B—C25A—C24A98.2
O1—Pr1—O2i128.25 (9)C26A—C25A—C24A120.0
O7—Pr1—O8ii77.23 (9)C25B—C26A—C26B113.9
O5i—Pr1—O8ii78.03 (9)C26B—C26A—C25A135.7
O1—Pr1—O8ii69.56 (9)C25B—C26A—C27A98.3
O2i—Pr1—O8ii141.78 (8)C25A—C26A—C27A120.0
O5i—Pr1—O4120.85 (9)C26B—C27A—C27B162.1
O2i—Pr1—O484.07 (8)C26B—C27A—C28A145.1
O8ii—Pr1—O4133.42 (8)C27B—C27A—C28A52.6
O5i—Pr1—N2148.71 (10)C27B—C27A—C26A172.5
O2i—Pr1—N2136.51 (10)C28A—C27A—C26A120.0
O8ii—Pr1—N272.96 (10)C26B—C27A—C25B51.6
O5i—Pr1—N1150.33 (9)C27B—C27A—C25B146.2
O2i—Pr1—N176.88 (9)C28A—C27A—C25B93.7
O8ii—Pr1—N1122.05 (10)C26B—C27A—C28B154.6
O5i—Pr1—O572.90 (10)C26A—C27A—C28B129.4
O2i—Pr1—O565.21 (8)C25B—C27A—C28B103.1
O8ii—Pr1—O5129.91 (9)C28B—C28A—C27B109.4
C13—O1—Pr1130.3 (2)C28B—C28A—C23B84.9
C13—O2—Pr1i137.7 (2)C27B—C28A—C23B164.8
C15—O3—C14117.6 (3)C28B—C28A—C27A145.7
C21—O4—Pr1101.0 (2)C23B—C28A—C27A128.5
C21—O5—Pr1i163.1 (3)C28B—C28A—C23A93.7
C21—O5—Pr187.9 (2)C27B—C28A—C23A156.7
Pr1i—O5—Pr1107.10 (9)C27A—C28A—C23A120.0
C23B—O6—C22119.6 (3)C28B—C28A—C26B155.7
C22—O6—C23A112.6 (3)C27B—C28A—C26B46.7
C29—O7—Pr1151.9 (2)C23B—C28A—C26B118.6
C29—O8—Pr1ii150.0 (2)C23A—C28A—C26B110.0
C31—O9—C30117.4 (3)C28B—C28A—C24B127.6
C1—N1—C5118.0 (4)C27B—C28A—C24B122.4
C1—N1—Pr1120.6 (3)C27A—C28A—C24B85.7
C5—N1—Pr1119.9 (3)C26B—C28A—C24B75.7
C12—N2—C9118.5 (3)O6—C23B—C28A134.3 (3)
C12—N2—Pr1119.6 (3)O6—C23B—C24B128.8 (2)
C9—N2—Pr1121.6 (2)C28A—C23B—C24B96.6
N1—C1—C2123.4 (4)O6—C23B—C28B111.1 (3)
N1—C1—H1118.3C24B—C23B—C28B120.0
C2—C1—H1118.3O6—C23B—C24A115.1 (2)
C3—C2—C1118.4 (5)C28A—C23B—C24A110.3
C3—C2—H2120.8C28B—C23B—C24A133.7
C1—C2—H2120.8C23A—C24B—C25A153.2
C4—C3—C2120.3 (5)C25A—C24B—C23B152.0
C4—C3—H3119.9C23A—C24B—C25B121.2
C2—C3—H3119.9C23B—C24B—C25B120.0
C3—C4—C5118.0 (5)C25A—C24B—C28A111.6
C3—C4—C6123.0 (6)C25B—C24B—C28A79.6
C5—C4—C6119.1 (6)C25A—C25B—C26A136.4
N1—C5—C4121.9 (4)C25A—C25B—C24B67.0
N1—C5—C9118.2 (4)C26A—C25B—C24B156.1
C4—C5—C9120.0 (4)C25A—C25B—C26B172.8
C7—C6—C4120.7 (6)C24B—C25B—C26B120.0
C7—C6—H6119.7C25A—C25B—C24A55.5
C4—C6—H6119.7C26A—C25B—C24A167.7
C6—C7—C8122.1 (5)C26B—C25B—C24A131.5
C6—C7—H7118.9C25A—C25B—C27A167.8
C8—C7—H7118.9C26A—C25B—C27A55.3
C10—C8—C7124.2 (5)C24B—C25B—C27A101.1
C10—C8—C9116.9 (5)C24A—C25B—C27A112.6
C7—C8—C9118.9 (5)C27A—C26B—C26A138.7
N2—C9—C5118.9 (3)C26A—C26B—C27B149.3
N2—C9—C8121.9 (4)C27A—C26B—C25B109.4
C5—C9—C8119.1 (4)C27B—C26B—C25B120.0
C11—C10—C8121.1 (4)C26A—C26B—C28A114.2
C11—C10—H10119.5C25B—C26B—C28A84.7
C8—C10—H10119.5C27A—C27B—C28A90.7
C10—C11—C12119.4 (5)C28A—C27B—C26B98.0
C10—C11—H11120.3C27A—C27B—C28B112.7
C12—C11—H11120.3C26B—C27B—C28B120.0
N2—C12—C11122.0 (5)C28A—C28B—C27B48.5
N2—C12—H12119.0C28A—C28B—C23B71.7
C11—C12—H12119.0C27B—C28B—C23B120.0
O2—C13—O1128.2 (3)C28A—C28B—C23A65.1
O2—C13—C14119.1 (4)C27B—C28B—C23A113.5
O1—C13—C14112.7 (3)C23B—C28B—C27A95.9
O3—C14—C13110.9 (3)C23A—C28B—C27A89.4
O3—C14—H14A109.5O8—C29—O7126.7 (3)
C13—C14—H14A109.5O8—C29—C30120.06 (18)
O3—C14—H14B109.5O7—C29—C30113.28 (15)
C13—C14—H14B109.5O9—C30—C29111.20 (18)
H14A—C14—H14B108.0O9—C30—H30A109.4
C16—C15—C20120.9 (4)C29—C30—H30A109.4
C16—C15—O3114.8 (4)O9—C30—H30B109.4
C20—C15—O3124.3 (4)C29—C30—H30B109.4
C15—C16—C17119.9 (5)H30A—C30—H30B108.0
C15—C16—H16120.0C36—C31—O9124.9 (4)
C17—C16—H16120.0C36—C31—C32119.6 (4)
C18—C17—C16120.0 (6)O9—C31—C32115.5 (4)
C18—C17—H17120.0C33—C32—C31120.0 (5)
C16—C17—H17120.0C33—C32—H32120.0
C19—C18—C17120.5 (5)C31—C32—H32120.0
C19—C18—H18119.7C32—C33—C34120.1 (5)
C17—C18—H18119.7C32—C33—H33119.9
C18—C19—C20120.9 (6)C34—C33—H33119.9
C18—C19—H19119.5C35—C34—C33119.1 (5)
C20—C19—H19119.5C35—C34—H34120.5
C15—C20—C19117.7 (5)C33—C34—H34120.5
C15—C20—H20121.2C34—C35—C36121.7 (5)
C19—C20—H20121.2C34—C35—H35119.1
O4—C21—O5122.8 (3)C36—C35—H35119.1
O4—C21—C22120.2 (3)C31—C36—C35119.4 (5)
O5—C21—C22117.0 (4)C31—C36—H36120.3
O6—C22—C21113.9 (3)C35—C36—H36120.3
O6—C22—H22A108.8
D—H···AD—HH···AD···AD—H···A
C1—H1···O2i0.932.463.147 (5)130
C10—H10···O4iii0.932.343.211 (5)156
C12—H12···O8ii0.932.473.063 (5)122
C22—H22B···O7iv0.972.413.353 (5)166
Pr1—O12.489 (2)
Pr1—O2i2.535 (2)
Pr1—O42.565 (2)
Pr1—O52.817 (3)
Pr1—O5i2.449 (2)
Pr1—O72.409 (3)
Pr1—O8ii2.545 (3)
Pr1—N12.753 (3)
Pr1—N22.720 (3)
O1—Pr1—O473.62 (8)
O1—Pr1—O565.11 (8)
O1—Pr1—O7145.88 (9)
O4—Pr1—O548.17 (8)
O4—Pr1—O7138.84 (9)
O5—Pr1—O7139.57 (8)
O1—Pr1—N1127.55 (9)
O4—Pr1—N163.48 (9)
O5—Pr1—N1102.34 (9)
O7—Pr1—N177.09 (9)
O1—Pr1—N281.11 (9)
O4—Pr1—N274.08 (9)
O5—Pr1—N2118.22 (8)
O7—Pr1—N296.74 (9)
N1—Pr1—N259.78 (10)

Symmetry codes: (i) ; (ii) .

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯AD—HH⋯AD⋯AD—H⋯A
C1—H1⋯O2i0.932.463.147 (5)130
C10—H10⋯O4iii0.932.343.211 (5)156
C12—H12⋯O8ii0.932.473.063 (5)122
C22—H22B⋯O7iv0.972.413.353 (5)166

Symmetry codes: (i) ; (ii) ; (iii) ; (iv) .

  2 in total

Review 1.  Lanthanide complexes in molecular recognition and chirality sensing of biological substrates.

Authors:  Hiroshi Tsukube; Satoshi Shinoda
Journal:  Chem Rev       Date:  2002-06       Impact factor: 60.622

2.  A short history of SHELX.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr A       Date:  2007-12-21       Impact factor: 2.290
  2 in total
  1 in total

1.  Retraction of articles by H. Zhong et al.

Authors:  H Zhong; S-H Duan; Y-P Hong; M-L Li; Y-Q Liu; C-J Luo; Q-Y Luo; S-Z Xiao; H-L Xie; Y-P Xu; X-M Yang; X-R Zeng; Q Y Zhong
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2009-12-19
  1 in total

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