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In the title complex, [La2(C10H10NO3)6(C12H8N2)2]·2H2O, the LaIII atoms are bridged by two terdentate and two bidentate carboxyl­ate groups with an inversion centre between the two LaIII ions. Each La atom is nine-coordinated by two N atoms of 1,10-phenanthroline and seven O atoms belonging to N-acetyl-N-phenyl­glycine mol­ecules, and exhibits distorted tricapped trigonal prismatic geometry. The crystal structure is stabilized by intermolecular O—H...O hydrogen bonds.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804020793/hb6078sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804020793/hb6078Isup2.hkl
Contains datablock I

CCDC reference: 251625

Key indicators

  • Single-crystal X-ray study
  • T = 298 K
  • Mean [sigma](C-C) = 0.006 Å
  • R factor = 0.025
  • wR factor = 0.070
  • Data-to-parameter ratio = 13.4

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.56 Ratio PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) La1 - O1 .. 10.11 su
Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT220_ALERT_2_C Large Non-Solvent O Ueq(max)/Ueq(min) ... 3.28 Ratio PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) La1 - O2 .. 5.31 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) La1 - O7 .. 8.16 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) La1 - O8 .. 6.85 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) La1 - N4 .. 5.78 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) La1 - O1_a .. 5.59 su PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors for O8 PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors for C22 PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors for C29 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors for C25 PLAT380_ALERT_4_C Incorrectly Oriented X(sp2)-Methyl Moiety ...... C14 PLAT380_ALERT_4_C Incorrectly Oriented X(sp2)-Methyl Moiety ...... C24 PLAT731_ALERT_1_C Bond Calc 0.92(4), Rep 0.912(10) ...... 4.00 su-Rat O10 -H1 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.91(3), Rep 0.910(10) ...... 3.00 su-Rat O10 -H2 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.92(4), Rep 0.912(10) ...... 4.00 su-Rat O10 -H1 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.91(3), Rep 0.910(10) ...... 3.00 su-Rat O10 -H2 1.555 1.555 PLAT736_ALERT_1_C H...A Calc 1.95(4), Rep 1.960(14) ...... 2.86 su-Rat H1 -O3 1.555 1.454 PLAT736_ALERT_1_C H...A Calc 1.93(3), Rep 1.927(12) ...... 2.50 su-Rat H2 -O9 1.555 1.455
0 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 19 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 7 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 12 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 2 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Bruker, 1999); cell refinement: SAINT (Bruker, 1999); data reduction: SAINT; 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.

Tetrakis(µ-N-acetyl-N-phenylglycinato)bis[(N-acetyl-N-phenylglycinato)(1,10- phenanthroline-κ2N,N')lanthanum(III)] dihydrate top
Crystal data top
[La2(C10H10NO3)6(C12H8N2)2]·2H2OZ = 1
Mr = 1827.40F(000) = 928
Triclinic, P1Dx = 1.496 Mg m3
Hall symbol: -P 1Melting point: 531.5 K
a = 11.777 (3) ÅMo Kα radiation, λ = 0.71073 Å
b = 13.574 (3) ÅCell parameters from 7895 reflections
c = 14.114 (3) Åθ = 2.3–28.3°
α = 65.372 (2)°µ = 1.12 mm1
β = 86.194 (3)°T = 298 K
γ = 81.600 (3)°Block, yellow
V = 2029.0 (8) Å30.45 × 0.32 × 0.18 mm
Data collection top
Bruker SMART CCD area-detector
diffractometer
7083 independent reflections
Radiation source: fine-focus sealed tube6303 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.014
φ and ω scansθmax = 25.0°, θmin = 1.8°
Absorption correction: multi-scan
(SADABS; Bruker, 1999)
h = 1114
Tmin = 0.633, Tmax = 0.824k = 1516
10710 measured reflectionsl = 1316
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)] = 0.025Hydrogen site location: difmap and geom
wR(F2) = 0.070H atoms treated by a mixture of independent and constrained refinement
S = 1.00 w = 1/[σ2(Fo2) + (0.0402P)2 + 1.0763P]
where P = (Fo2 + 2Fc2)/3
7083 reflections(Δ/σ)max = 0.004
529 parametersΔρmax = 1.15 e Å3
3 restraintsΔρmin = 0.57 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 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 (Å2) top
xyzUiso*/Ueq
La11.034103 (13)0.154924 (11)0.926361 (11)0.02832 (6)
N10.9110 (2)0.0678 (2)1.32144 (18)0.0414 (6)
N20.5950 (2)0.2062 (2)0.90618 (19)0.0410 (6)
N31.1874 (3)0.3758 (3)0.5559 (2)0.0577 (8)
N40.9836 (2)0.36825 (19)0.87479 (19)0.0420 (6)
N51.1822 (2)0.25640 (19)0.97731 (19)0.0389 (5)
O11.01965 (17)0.00338 (15)1.10715 (14)0.0370 (4)
O20.98733 (19)0.15731 (16)1.11354 (15)0.0436 (5)
O31.0967 (2)0.0654 (2)1.3499 (2)0.0694 (7)
O40.82923 (17)0.14975 (16)0.95840 (16)0.0415 (5)
O50.79049 (17)0.02212 (16)1.04858 (16)0.0472 (5)
O60.6118 (2)0.3425 (2)0.9547 (2)0.0686 (7)
O70.96223 (19)0.25042 (17)0.73715 (16)0.0477 (5)
O81.14818 (19)0.23557 (18)0.76139 (16)0.0520 (6)
O91.2194 (4)0.2255 (3)0.5242 (3)0.1212 (14)
O100.2744 (3)0.1919 (4)0.3403 (3)0.1045 (11)
C10.9867 (2)0.0573 (2)1.1558 (2)0.0322 (6)
C20.9452 (3)0.0020 (2)1.2664 (2)0.0423 (7)
H2A0.88040.03801.26490.051*
H2B1.00600.05841.30530.051*
C30.9959 (3)0.0987 (3)1.3593 (2)0.0480 (8)
C40.9620 (3)0.1747 (3)1.4128 (3)0.0620 (10)
H4A0.88000.19141.41290.093*
H4B0.99550.24111.37610.093*
H4C0.98920.14011.48330.093*
C50.7911 (3)0.1046 (3)1.3255 (2)0.0437 (7)
C60.7309 (3)0.0640 (3)1.4176 (3)0.0624 (10)
H60.76790.01401.47840.075*
C70.6134 (4)0.0990 (4)1.4185 (4)0.0824 (14)
H70.57190.07191.48030.099*
C80.5587 (4)0.1732 (4)1.3288 (4)0.0833 (14)
H80.48070.19681.33010.100*
C90.6195 (3)0.2124 (4)1.2372 (4)0.0707 (11)
H90.58240.26231.17650.085*
C100.7349 (3)0.1781 (3)1.2350 (3)0.0523 (8)
H100.77550.20431.17250.063*
C110.7624 (2)0.0798 (2)1.0037 (2)0.0348 (6)
C120.6358 (2)0.1222 (2)1.0064 (2)0.0393 (7)
H12A0.59120.06181.02700.047*
H12B0.62380.15201.05850.047*
C130.5904 (3)0.3134 (3)0.8872 (3)0.0522 (8)
C140.5586 (4)0.3945 (3)0.7777 (4)0.0859 (14)
H14A0.54510.35600.73670.129*
H14B0.62020.43730.74710.129*
H14C0.49030.44190.77960.129*
C150.5711 (3)0.1653 (2)0.8319 (2)0.0445 (7)
C160.6613 (4)0.1231 (3)0.7855 (3)0.0613 (9)
H160.73670.12830.79670.074*
C170.6378 (5)0.0731 (4)0.7225 (3)0.0867 (15)
H170.69740.04390.69130.104*
C180.5243 (6)0.0669 (4)0.7062 (4)0.0998 (19)
H180.50830.03270.66450.120*
C190.4366 (5)0.1102 (5)0.7506 (3)0.0944 (17)
H190.36100.10670.73810.113*
C200.4593 (3)0.1591 (4)0.8140 (3)0.0671 (11)
H200.39920.18810.84480.080*
C211.0608 (3)0.2724 (2)0.7045 (2)0.0419 (7)
C221.0710 (3)0.3521 (3)0.5908 (3)0.0667 (11)
H22A1.04110.32250.54720.080*
H22B1.02310.42030.58040.080*
C231.2563 (5)0.3055 (4)0.5254 (3)0.0783 (13)
C241.3761 (4)0.3287 (4)0.4932 (4)0.0925 (15)
H24A1.38830.39410.49970.139*
H24B1.38820.33850.42210.139*
H24C1.42910.26850.53720.139*
C251.2247 (3)0.4685 (3)0.5619 (3)0.0522 (8)
C261.2510 (4)0.4655 (4)0.6567 (3)0.0710 (11)
H261.24550.40270.71740.085*
C271.2857 (4)0.5567 (5)0.6614 (5)0.0903 (14)
H271.30340.55520.72520.108*
C281.2939 (5)0.6488 (5)0.5718 (6)0.108 (2)
H281.32040.70860.57480.130*
C291.2638 (5)0.6539 (4)0.4788 (6)0.115 (2)
H291.26660.71810.41890.138*
C301.2283 (4)0.5627 (3)0.4725 (3)0.0799 (13)
H301.20750.56570.40880.096*
C310.8868 (3)0.4238 (3)0.8250 (3)0.0551 (9)
H310.83600.38510.81110.066*
C320.8568 (4)0.5357 (3)0.7924 (3)0.0675 (11)
H320.78850.57080.75720.081*
C330.9306 (4)0.5927 (3)0.8134 (3)0.0663 (11)
H330.91300.66780.79210.080*
C341.0322 (3)0.5387 (3)0.8667 (3)0.0531 (9)
C351.0572 (3)0.4250 (2)0.8951 (2)0.0404 (7)
C361.1610 (3)0.3661 (2)0.9500 (2)0.0417 (7)
C371.2360 (3)0.4229 (3)0.9760 (3)0.0537 (9)
C381.3328 (3)0.3615 (4)1.0346 (3)0.0699 (11)
H381.38430.39591.05360.084*
C391.3520 (3)0.2518 (4)1.0638 (3)0.0673 (11)
H391.41570.21041.10370.081*
C401.2750 (3)0.2020 (3)1.0334 (3)0.0517 (8)
H401.28930.12681.05330.062*
C411.1107 (4)0.5933 (3)0.8943 (3)0.0697 (11)
H411.09400.66800.87650.084*
C421.2082 (4)0.5386 (3)0.9454 (3)0.0698 (12)
H421.25850.57620.96140.084*
H10.221 (3)0.152 (3)0.334 (3)0.084*
H20.259 (3)0.202 (3)0.400 (2)0.084*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
La10.03187 (10)0.02192 (9)0.03154 (9)0.00614 (6)0.00236 (6)0.01091 (6)
N10.0497 (15)0.0444 (14)0.0374 (13)0.0081 (12)0.0048 (11)0.0241 (11)
N20.0372 (13)0.0385 (14)0.0452 (14)0.0013 (11)0.0038 (11)0.0167 (11)
N30.073 (2)0.0631 (19)0.0375 (14)0.0294 (16)0.0094 (14)0.0157 (14)
N40.0485 (15)0.0311 (13)0.0464 (14)0.0041 (11)0.0012 (12)0.0168 (11)
N50.0393 (14)0.0370 (13)0.0457 (14)0.0090 (11)0.0008 (11)0.0211 (11)
O10.0477 (12)0.0326 (10)0.0355 (10)0.0034 (9)0.0013 (9)0.0198 (8)
O20.0599 (13)0.0316 (11)0.0438 (11)0.0116 (9)0.0105 (10)0.0199 (9)
O30.0521 (16)0.089 (2)0.0845 (18)0.0002 (14)0.0054 (13)0.0551 (16)
O40.0348 (11)0.0363 (11)0.0517 (12)0.0043 (9)0.0014 (9)0.0168 (9)
O50.0409 (12)0.0332 (11)0.0569 (13)0.0014 (9)0.0048 (10)0.0102 (10)
O60.0650 (17)0.0613 (16)0.096 (2)0.0080 (13)0.0019 (15)0.0485 (16)
O70.0509 (13)0.0465 (13)0.0437 (12)0.0153 (10)0.0015 (10)0.0137 (10)
O80.0477 (13)0.0536 (14)0.0387 (11)0.0029 (11)0.0023 (10)0.0050 (10)
O90.186 (4)0.103 (3)0.113 (3)0.071 (3)0.026 (3)0.070 (2)
O100.081 (2)0.133 (3)0.114 (3)0.033 (2)0.014 (2)0.061 (3)
C10.0332 (14)0.0337 (15)0.0344 (14)0.0051 (11)0.0031 (11)0.0178 (12)
C20.060 (2)0.0330 (15)0.0372 (15)0.0097 (14)0.0060 (14)0.0175 (13)
C30.056 (2)0.0510 (19)0.0433 (17)0.0050 (16)0.0004 (15)0.0260 (15)
C40.069 (2)0.074 (3)0.064 (2)0.017 (2)0.0057 (19)0.048 (2)
C50.0502 (18)0.0448 (18)0.0475 (17)0.0153 (14)0.0090 (14)0.0287 (15)
C60.073 (3)0.075 (3)0.052 (2)0.032 (2)0.0218 (18)0.0345 (19)
C70.072 (3)0.120 (4)0.093 (3)0.052 (3)0.044 (3)0.074 (3)
C80.048 (2)0.120 (4)0.126 (4)0.019 (2)0.011 (3)0.094 (4)
C90.052 (2)0.086 (3)0.092 (3)0.008 (2)0.005 (2)0.053 (3)
C100.049 (2)0.056 (2)0.058 (2)0.0118 (16)0.0026 (16)0.0274 (17)
C110.0348 (15)0.0378 (16)0.0340 (14)0.0044 (12)0.0009 (12)0.0174 (12)
C120.0337 (15)0.0412 (16)0.0393 (15)0.0021 (12)0.0012 (12)0.0140 (13)
C130.0402 (18)0.0446 (19)0.069 (2)0.0041 (14)0.0020 (16)0.0212 (17)
C140.100 (3)0.044 (2)0.091 (3)0.002 (2)0.021 (3)0.006 (2)
C150.0533 (19)0.0379 (16)0.0378 (16)0.0060 (14)0.0043 (14)0.0107 (13)
C160.070 (2)0.063 (2)0.0498 (19)0.0043 (19)0.0079 (17)0.0250 (18)
C170.138 (5)0.072 (3)0.055 (2)0.001 (3)0.000 (3)0.035 (2)
C180.173 (6)0.091 (4)0.054 (3)0.064 (4)0.004 (3)0.032 (2)
C190.111 (4)0.128 (4)0.055 (2)0.074 (4)0.001 (3)0.030 (3)
C200.060 (2)0.089 (3)0.049 (2)0.028 (2)0.0022 (17)0.0189 (19)
C210.055 (2)0.0337 (16)0.0361 (15)0.0111 (14)0.0002 (14)0.0120 (13)
C220.068 (2)0.078 (3)0.0388 (18)0.034 (2)0.0043 (16)0.0007 (17)
C230.119 (4)0.071 (3)0.051 (2)0.031 (3)0.017 (2)0.028 (2)
C240.110 (4)0.080 (3)0.091 (3)0.012 (3)0.036 (3)0.044 (3)
C250.0473 (19)0.053 (2)0.0514 (19)0.0116 (16)0.0081 (15)0.0160 (16)
C260.082 (3)0.071 (3)0.069 (3)0.019 (2)0.001 (2)0.034 (2)
C270.083 (3)0.096 (4)0.118 (4)0.011 (3)0.002 (3)0.069 (3)
C280.090 (4)0.078 (4)0.179 (7)0.022 (3)0.022 (4)0.074 (4)
C290.128 (5)0.051 (3)0.143 (5)0.026 (3)0.036 (4)0.018 (3)
C300.086 (3)0.064 (3)0.068 (3)0.014 (2)0.011 (2)0.007 (2)
C310.052 (2)0.0478 (19)0.063 (2)0.0087 (16)0.0094 (17)0.0239 (17)
C320.072 (3)0.049 (2)0.070 (2)0.0162 (19)0.006 (2)0.0203 (19)
C330.090 (3)0.0308 (17)0.065 (2)0.0020 (19)0.015 (2)0.0125 (16)
C340.073 (2)0.0331 (16)0.0558 (19)0.0143 (16)0.0210 (18)0.0220 (15)
C350.0512 (18)0.0303 (15)0.0438 (16)0.0106 (13)0.0107 (14)0.0190 (13)
C360.0464 (18)0.0437 (17)0.0460 (17)0.0184 (14)0.0125 (14)0.0270 (14)
C370.053 (2)0.065 (2)0.065 (2)0.0297 (17)0.0187 (17)0.0442 (19)
C380.052 (2)0.095 (3)0.094 (3)0.029 (2)0.009 (2)0.066 (3)
C390.041 (2)0.096 (3)0.083 (3)0.0063 (19)0.0087 (18)0.055 (2)
C400.0412 (18)0.058 (2)0.062 (2)0.0072 (15)0.0010 (16)0.0301 (17)
C410.086 (3)0.045 (2)0.093 (3)0.027 (2)0.031 (2)0.042 (2)
C420.080 (3)0.065 (2)0.094 (3)0.045 (2)0.032 (2)0.055 (2)
Geometric parameters (Å, º) top
La1—O42.431 (2)C12—H12A0.9700
La1—O1i2.4672 (19)C12—H12B0.9700
La1—O5i2.474 (2)C13—C141.510 (5)
La1—O82.513 (2)C14—H14A0.9600
La1—O72.573 (2)C14—H14B0.9600
La1—O12.5762 (19)C14—H14C0.9600
La1—N42.658 (2)C15—C201.378 (5)
La1—N52.674 (2)C15—C161.388 (5)
La1—O22.675 (2)C16—C171.386 (6)
La1—La1i4.0167 (9)C16—H160.9300
N1—C31.356 (4)C17—C181.391 (7)
N1—C51.433 (4)C17—H170.9300
N1—C21.458 (4)C18—C191.360 (8)
N2—C131.359 (4)C18—H180.9300
N2—C151.434 (4)C19—C201.376 (6)
N2—C121.455 (4)C19—H190.9300
N3—C231.350 (5)C20—H200.9300
N3—C251.428 (5)C21—C221.525 (4)
N3—C221.460 (5)C22—H22A0.9700
N4—C311.333 (4)C22—H22B0.9700
N4—C351.357 (4)C23—C241.491 (7)
N5—C401.326 (4)C24—H24A0.9600
N5—C361.362 (4)C24—H24B0.9600
O1—C11.281 (3)C24—H24C0.9600
O1—La1i2.4672 (19)C25—C301.375 (5)
O2—C11.235 (3)C25—C261.377 (5)
O3—C31.225 (4)C26—C271.386 (6)
O4—C111.255 (3)C26—H260.9300
O5—C111.260 (3)C27—C281.369 (8)
O5—La1i2.474 (2)C27—H270.9300
O6—C131.226 (4)C28—C291.353 (8)
O7—C211.250 (4)C28—H280.9300
O8—C211.257 (4)C29—C301.401 (7)
O9—C231.234 (5)C29—H290.9300
O10—H10.912 (10)C30—H300.9300
O10—H20.910 (10)C31—C321.388 (5)
C1—C21.513 (4)C31—H310.9300
C2—H2A0.9700C32—C331.366 (6)
C2—H2B0.9700C32—H320.9300
C3—C41.512 (4)C33—C341.392 (5)
C4—H4A0.9600C33—H330.9300
C4—H4B0.9600C34—C351.413 (4)
C4—H4C0.9600C34—C411.430 (5)
C5—C61.375 (4)C35—C361.435 (4)
C5—C101.386 (5)C36—C371.409 (4)
C6—C71.397 (6)C37—C381.397 (5)
C6—H60.9300C37—C421.436 (5)
C7—C81.375 (7)C38—C391.357 (6)
C7—H70.9300C38—H380.9300
C8—C91.371 (6)C39—C401.391 (5)
C8—H80.9300C39—H390.9300
C9—C101.374 (5)C40—H400.9300
C9—H90.9300C41—C421.343 (6)
C10—H100.9300C41—H410.9300
C11—C121.522 (4)C42—H420.9300
O4—La1—O1i71.81 (7)C9—C8—C7119.9 (4)
O4—La1—O5i137.42 (7)C9—C8—H8120.1
O1i—La1—O5i73.33 (7)C7—C8—H8120.1
O4—La1—O8131.95 (7)C8—C9—C10120.2 (4)
O1i—La1—O896.20 (7)C8—C9—H9119.9
O5i—La1—O875.30 (7)C10—C9—H9119.9
O4—La1—O780.62 (7)C9—C10—C5120.3 (3)
O1i—La1—O776.90 (6)C9—C10—H10119.9
O5i—La1—O7114.15 (7)C5—C10—H10119.9
O8—La1—O751.39 (7)O4—C11—O5126.2 (3)
O4—La1—O175.37 (6)O4—C11—C12116.9 (2)
O1i—La1—O174.44 (7)O5—C11—C12116.9 (3)
O5i—La1—O172.34 (6)N2—C12—C11112.5 (2)
O8—La1—O1147.64 (7)N2—C12—H12A109.1
O7—La1—O1147.09 (7)C11—C12—H12A109.1
O4—La1—N485.07 (7)N2—C12—H12B109.1
O1i—La1—N4142.77 (7)C11—C12—H12B109.1
O5i—La1—N4137.09 (7)H12A—C12—H12B107.8
O8—La1—N477.70 (8)O6—C13—N2122.0 (3)
O7—La1—N470.70 (7)O6—C13—C14122.0 (3)
O1—La1—N4128.09 (7)N2—C13—C14116.0 (3)
O4—La1—N5131.50 (7)C13—C14—H14A109.5
O1i—La1—N5153.46 (7)C13—C14—H14B109.5
O5i—La1—N580.13 (7)H14A—C14—H14B109.5
O8—La1—N577.00 (8)C13—C14—H14C109.5
O7—La1—N5115.34 (7)H14A—C14—H14C109.5
O1—La1—N597.47 (7)H14B—C14—H14C109.5
N4—La1—N561.59 (8)C20—C15—C16120.3 (3)
O4—La1—O272.04 (7)C20—C15—N2119.8 (3)
O1i—La1—O2118.70 (6)C16—C15—N2119.6 (3)
O5i—La1—O2105.22 (7)C17—C16—C15119.4 (4)
O8—La1—O2144.07 (7)C17—C16—H16120.3
O7—La1—O2140.54 (7)C15—C16—H16120.3
O1—La1—O249.42 (6)C16—C17—C18119.4 (5)
N4—La1—O278.95 (7)C16—C17—H17120.3
N5—La1—O267.94 (7)C18—C17—H17120.3
O4—La1—C21106.15 (8)C19—C18—C17120.8 (4)
O1i—La1—C2187.97 (7)C19—C18—H18119.6
O5i—La1—C2196.20 (8)C17—C18—H18119.6
O8—La1—C2125.80 (8)C18—C19—C20120.1 (5)
O7—La1—C2125.72 (8)C18—C19—H19119.9
O1—La1—C21161.05 (7)C20—C19—H19119.9
N4—La1—C2170.55 (8)C19—C20—C15120.0 (4)
N5—La1—C2195.26 (8)C19—C20—H20120.0
O2—La1—C21149.46 (7)C15—C20—H20120.0
O4—La1—C169.91 (7)O7—C21—O8123.3 (3)
O1i—La1—C196.18 (7)O7—C21—C22116.7 (3)
O5i—La1—C190.54 (7)O8—C21—C22120.0 (3)
O8—La1—C1157.61 (8)O7—C21—La163.26 (15)
O7—La1—C1150.37 (7)O8—C21—La160.51 (15)
O1—La1—C125.22 (6)C22—C21—La1170.1 (2)
N4—La1—C1102.89 (7)N3—C22—C21115.0 (3)
N5—La1—C183.62 (7)N3—C22—H22A108.5
O2—La1—C124.37 (6)C21—C22—H22A108.5
C21—La1—C1172.89 (8)N3—C22—H22B108.5
O4—La1—La1i69.28 (5)C21—C22—H22B108.5
O1i—La1—La1i38.16 (4)H22A—C22—H22B107.5
O5i—La1—La1i68.24 (5)O9—C23—N3120.1 (5)
O8—La1—La1i127.46 (6)O9—C23—C24122.0 (5)
O7—La1—La1i113.53 (5)N3—C23—C24117.9 (4)
O1—La1—La1i36.28 (4)C23—C24—H24A109.5
N4—La1—La1i152.22 (6)C23—C24—H24B109.5
N5—La1—La1i129.26 (5)H24A—C24—H24B109.5
O2—La1—La1i82.98 (4)C23—C24—H24C109.5
C21—La1—La1i125.79 (6)H24A—C24—H24C109.5
C1—La1—La1i59.06 (5)H24B—C24—H24C109.5
C3—N1—C5124.9 (2)C30—C25—C26120.3 (4)
C3—N1—C2117.2 (3)C30—C25—N3119.2 (4)
C5—N1—C2117.7 (2)C26—C25—N3120.4 (3)
C13—N2—C15125.5 (3)C25—C26—C27119.7 (4)
C13—N2—C12119.8 (3)C25—C26—H26120.2
C15—N2—C12114.6 (2)C27—C26—H26120.2
C23—N3—C25123.3 (3)C28—C27—C26119.9 (5)
C23—N3—C22118.4 (3)C28—C27—H27120.1
C25—N3—C22118.1 (3)C26—C27—H27120.1
C31—N4—C35117.7 (3)C29—C28—C27120.8 (5)
C31—N4—La1121.1 (2)C29—C28—H28119.6
C35—N4—La1121.13 (19)C27—C28—H28119.6
C40—N5—C36117.9 (3)C28—C29—C30120.1 (5)
C40—N5—La1121.8 (2)C28—C29—H29120.0
C36—N5—La1120.32 (19)C30—C29—H29120.0
C1—O1—La1i142.23 (18)C25—C30—C29119.1 (5)
C1—O1—La195.85 (16)C25—C30—H30120.5
La1i—O1—La1105.56 (7)C29—C30—H30120.5
C1—O2—La192.33 (16)N4—C31—C32124.3 (4)
C11—O4—La1138.17 (18)N4—C31—H31117.9
C11—O5—La1i137.84 (18)C32—C31—H31117.9
C21—O7—La191.02 (17)C33—C32—C31118.0 (4)
C21—O8—La193.69 (18)C33—C32—H32121.0
H1—O10—H2108 (2)C31—C32—H32121.0
O2—C1—O1121.6 (2)C32—C33—C34120.3 (3)
O2—C1—C2123.1 (2)C32—C33—H33119.9
O1—C1—C2115.3 (2)C34—C33—H33119.9
O2—C1—La163.30 (14)C33—C34—C35118.0 (3)
O1—C1—La158.93 (13)C33—C34—C41122.8 (3)
C2—C1—La1168.95 (19)C35—C34—C41119.2 (4)
N1—C2—C1114.5 (2)N4—C35—C34121.7 (3)
N1—C2—H2A108.6N4—C35—C36118.4 (3)
C1—C2—H2A108.6C34—C35—C36119.9 (3)
N1—C2—H2B108.6N5—C36—C37122.3 (3)
C1—C2—H2B108.6N5—C36—C35118.5 (3)
H2A—C2—H2B107.6C37—C36—C35119.2 (3)
O3—C3—N1120.5 (3)C38—C37—C36117.3 (3)
O3—C3—C4121.5 (3)C38—C37—C42123.2 (3)
N1—C3—C4117.9 (3)C36—C37—C42119.5 (4)
C3—C4—H4A109.5C39—C38—C37120.1 (3)
C3—C4—H4B109.5C39—C38—H38120.0
H4A—C4—H4B109.5C37—C38—H38120.0
C3—C4—H4C109.5C38—C39—C40119.1 (4)
H4A—C4—H4C109.5C38—C39—H39120.4
H4B—C4—H4C109.5C40—C39—H39120.4
C6—C5—C10120.1 (3)N5—C40—C39123.2 (3)
C6—C5—N1120.3 (3)N5—C40—H40118.4
C10—C5—N1119.6 (3)C39—C40—H40118.4
C5—C6—C7119.0 (4)C42—C41—C34121.1 (3)
C5—C6—H6120.5C42—C41—H41119.4
C7—C6—H6120.5C34—C41—H41119.4
C8—C7—C6120.5 (4)C41—C42—C37121.1 (3)
C8—C7—H7119.7C41—C42—H42119.4
C6—C7—H7119.7C37—C42—H42119.4
Symmetry code: (i) x+2, y, z+2.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O10—H1···O3ii0.91 (1)1.96 (1)2.858 (5)168 (3)
O10—H2···O9iii0.91 (1)1.93 (1)2.836 (5)178 (4)
Symmetry codes: (ii) x1, y, z1; (iii) x1, y, z.
 

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