Tetrakis(μ-N-acetyl-N-phenyl­glycinato)­bis­[(N-acetyl-N-phenyl­glycinato)(1,10-phenanthroline-κ²N,N′)­lanthanum(III)] dihydrate

In the title complex, [La₂(C₁₀H₁₀NO₃)₆(C₁₂H₈N₂)₂]·2H₂O, the La^III atoms are bridged by two terdentate and two bidentate carboxyl­ate groups with an inversion centre between the two La^III 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.

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

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Computing details

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

Crystal data

[La2(C10H10NO3)6(C12H8N2)2]·2H2O	Z = 1
Mr = 1827.40	F(000) = 928
Triclinic, P1	Dx = 1.496 Mg m^−3
Hall symbol: -P 1	Melting point: 531.5 K
a = 11.777 (3) Å	Mo Kα radiation, λ = 0.71073 Å
b = 13.574 (3) Å	Cell parameters from 7895 reflections
c = 14.114 (3) Å	θ = 2.3–28.3°
α = 65.372 (2)°	µ = 1.12 mm^−1
β = 86.194 (3)°	T = 298 K
γ = 81.600 (3)°	Block, yellow
V = 2029.0 (8) Å^3	0.45 × 0.32 × 0.18 mm

Data collection

Bruker SMART CCD area-detector diffractometer	7083 independent reflections
Radiation source: fine-focus sealed tube	6303 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.014
φ and ω scans	θmax = 25.0°, θmin = 1.8°
Absorption correction: multi-scan (SADABS; Bruker, 1999)	h = −11→14
Tmin = 0.633, Tmax = 0.824	k = −15→16
10710 measured reflections	l = −13→16

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)] = 0.025	Hydrogen site location: difmap and geom
wR(F^2) = 0.070	H atoms treated by a mixture of independent and constrained refinement
S = 1.00	w = 1/[σ^2(Fo^2) + (0.0402P)^2 + 1.0763P] where P = (Fo^2 + 2Fc^2)/3
7083 reflections	(Δ/σ)max = 0.004
529 parameters	Δρmax = 1.15 e Å^−3
3 restraints	Δρmin = −0.57 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
La1	1.034103 (13)	0.154924 (11)	0.926361 (11)	0.02832 (6)
N1	0.9110 (2)	0.0678 (2)	1.32144 (18)	0.0414 (6)
N2	0.5950 (2)	0.2062 (2)	0.90618 (19)	0.0410 (6)
N3	1.1874 (3)	0.3758 (3)	0.5559 (2)	0.0577 (8)
N4	0.9836 (2)	0.36825 (19)	0.87479 (19)	0.0420 (6)
N5	1.1822 (2)	0.25640 (19)	0.97731 (19)	0.0389 (5)
O1	1.01965 (17)	−0.00338 (15)	1.10715 (14)	0.0370 (4)
O2	0.98733 (19)	0.15731 (16)	1.11354 (15)	0.0436 (5)
O3	1.0967 (2)	0.0654 (2)	1.3499 (2)	0.0694 (7)
O4	0.82923 (17)	0.14975 (16)	0.95840 (16)	0.0415 (5)
O5	0.79049 (17)	−0.02212 (16)	1.04858 (16)	0.0472 (5)
O6	0.6118 (2)	0.3425 (2)	0.9547 (2)	0.0686 (7)
O7	0.96223 (19)	0.25042 (17)	0.73715 (16)	0.0477 (5)
O8	1.14818 (19)	0.23557 (18)	0.76139 (16)	0.0520 (6)
O9	1.2194 (4)	0.2255 (3)	0.5242 (3)	0.1212 (14)
O10	0.2744 (3)	0.1919 (4)	0.3403 (3)	0.1045 (11)
C1	0.9867 (2)	0.0573 (2)	1.1558 (2)	0.0322 (6)
C2	0.9452 (3)	−0.0020 (2)	1.2664 (2)	0.0423 (7)
H2A	0.8804	−0.0380	1.2649	0.051*
H2B	1.0060	−0.0584	1.3053	0.051*
C3	0.9959 (3)	0.0987 (3)	1.3593 (2)	0.0480 (8)
C4	0.9620 (3)	0.1747 (3)	1.4128 (3)	0.0620 (10)
H4A	0.8800	0.1914	1.4129	0.093*
H4B	0.9955	0.2411	1.3761	0.093*
H4C	0.9892	0.1401	1.4833	0.093*
C5	0.7911 (3)	0.1046 (3)	1.3255 (2)	0.0437 (7)
C6	0.7309 (3)	0.0640 (3)	1.4176 (3)	0.0624 (10)
H6	0.7679	0.0140	1.4784	0.075*
C7	0.6134 (4)	0.0990 (4)	1.4185 (4)	0.0824 (14)
H7	0.5719	0.0719	1.4803	0.099*
C8	0.5587 (4)	0.1732 (4)	1.3288 (4)	0.0833 (14)
H8	0.4807	0.1968	1.3301	0.100*
C9	0.6195 (3)	0.2124 (4)	1.2372 (4)	0.0707 (11)
H9	0.5824	0.2623	1.1765	0.085*
C10	0.7349 (3)	0.1781 (3)	1.2350 (3)	0.0523 (8)
H10	0.7755	0.2043	1.1725	0.063*
C11	0.7624 (2)	0.0798 (2)	1.0037 (2)	0.0348 (6)
C12	0.6358 (2)	0.1222 (2)	1.0064 (2)	0.0393 (7)
H12A	0.5912	0.0618	1.0270	0.047*
H12B	0.6238	0.1520	1.0585	0.047*
C13	0.5904 (3)	0.3134 (3)	0.8872 (3)	0.0522 (8)
C14	0.5586 (4)	0.3945 (3)	0.7777 (4)	0.0859 (14)
H14A	0.5451	0.3560	0.7367	0.129*
H14B	0.6202	0.4373	0.7471	0.129*
H14C	0.4903	0.4419	0.7796	0.129*
C15	0.5711 (3)	0.1653 (2)	0.8319 (2)	0.0445 (7)
C16	0.6613 (4)	0.1231 (3)	0.7855 (3)	0.0613 (9)
H16	0.7367	0.1283	0.7967	0.074*
C17	0.6378 (5)	0.0731 (4)	0.7225 (3)	0.0867 (15)
H17	0.6974	0.0439	0.6913	0.104*
C18	0.5243 (6)	0.0669 (4)	0.7062 (4)	0.0998 (19)
H18	0.5083	0.0327	0.6645	0.120*
C19	0.4366 (5)	0.1102 (5)	0.7506 (3)	0.0944 (17)
H19	0.3610	0.1067	0.7381	0.113*
C20	0.4593 (3)	0.1591 (4)	0.8140 (3)	0.0671 (11)
H20	0.3992	0.1881	0.8448	0.080*
C21	1.0608 (3)	0.2724 (2)	0.7045 (2)	0.0419 (7)
C22	1.0710 (3)	0.3521 (3)	0.5908 (3)	0.0667 (11)
H22A	1.0411	0.3225	0.5472	0.080*
H22B	1.0231	0.4203	0.5804	0.080*
C23	1.2563 (5)	0.3055 (4)	0.5254 (3)	0.0783 (13)
C24	1.3761 (4)	0.3287 (4)	0.4932 (4)	0.0925 (15)
H24A	1.3883	0.3941	0.4997	0.139*
H24B	1.3882	0.3385	0.4221	0.139*
H24C	1.4291	0.2685	0.5372	0.139*
C25	1.2247 (3)	0.4685 (3)	0.5619 (3)	0.0522 (8)
C26	1.2510 (4)	0.4655 (4)	0.6567 (3)	0.0710 (11)
H26	1.2455	0.4027	0.7174	0.085*
C27	1.2857 (4)	0.5567 (5)	0.6614 (5)	0.0903 (14)
H27	1.3034	0.5552	0.7252	0.108*
C28	1.2939 (5)	0.6488 (5)	0.5718 (6)	0.108 (2)
H28	1.3204	0.7086	0.5748	0.130*
C29	1.2638 (5)	0.6539 (4)	0.4788 (6)	0.115 (2)
H29	1.2666	0.7181	0.4189	0.138*
C30	1.2283 (4)	0.5627 (3)	0.4725 (3)	0.0799 (13)
H30	1.2075	0.5657	0.4088	0.096*
C31	0.8868 (3)	0.4238 (3)	0.8250 (3)	0.0551 (9)
H31	0.8360	0.3851	0.8111	0.066*
C32	0.8568 (4)	0.5357 (3)	0.7924 (3)	0.0675 (11)
H32	0.7885	0.5708	0.7572	0.081*
C33	0.9306 (4)	0.5927 (3)	0.8134 (3)	0.0663 (11)
H33	0.9130	0.6678	0.7921	0.080*
C34	1.0322 (3)	0.5387 (3)	0.8667 (3)	0.0531 (9)
C35	1.0572 (3)	0.4250 (2)	0.8951 (2)	0.0404 (7)
C36	1.1610 (3)	0.3661 (2)	0.9500 (2)	0.0417 (7)
C37	1.2360 (3)	0.4229 (3)	0.9760 (3)	0.0537 (9)
C38	1.3328 (3)	0.3615 (4)	1.0346 (3)	0.0699 (11)
H38	1.3843	0.3959	1.0536	0.084*
C39	1.3520 (3)	0.2518 (4)	1.0638 (3)	0.0673 (11)
H39	1.4157	0.2104	1.1037	0.081*
C40	1.2750 (3)	0.2020 (3)	1.0334 (3)	0.0517 (8)
H40	1.2893	0.1268	1.0533	0.062*
C41	1.1107 (4)	0.5933 (3)	0.8943 (3)	0.0697 (11)
H41	1.0940	0.6680	0.8765	0.084*
C42	1.2082 (4)	0.5386 (3)	0.9454 (3)	0.0698 (12)
H42	1.2585	0.5762	0.9614	0.084*
H1	0.221 (3)	0.152 (3)	0.334 (3)	0.084*
H2	0.259 (3)	0.202 (3)	0.400 (2)	0.084*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La1	0.03187 (10)	0.02192 (9)	0.03154 (9)	−0.00614 (6)	0.00236 (6)	−0.01091 (6)
N1	0.0497 (15)	0.0444 (14)	0.0374 (13)	−0.0081 (12)	0.0048 (11)	−0.0241 (11)
N2	0.0372 (13)	0.0385 (14)	0.0452 (14)	0.0013 (11)	−0.0038 (11)	−0.0167 (11)
N3	0.073 (2)	0.0631 (19)	0.0375 (14)	−0.0294 (16)	0.0094 (14)	−0.0157 (14)
N4	0.0485 (15)	0.0311 (13)	0.0464 (14)	−0.0041 (11)	0.0012 (12)	−0.0168 (11)
N5	0.0393 (14)	0.0370 (13)	0.0457 (14)	−0.0090 (11)	0.0008 (11)	−0.0211 (11)
O1	0.0477 (12)	0.0326 (10)	0.0355 (10)	−0.0034 (9)	0.0013 (9)	−0.0198 (8)
O2	0.0599 (13)	0.0316 (11)	0.0438 (11)	−0.0116 (9)	0.0105 (10)	−0.0199 (9)
O3	0.0521 (16)	0.089 (2)	0.0845 (18)	0.0002 (14)	−0.0054 (13)	−0.0551 (16)
O4	0.0348 (11)	0.0363 (11)	0.0517 (12)	−0.0043 (9)	0.0014 (9)	−0.0168 (9)
O5	0.0409 (12)	0.0332 (11)	0.0569 (13)	−0.0014 (9)	0.0048 (10)	−0.0102 (10)
O6	0.0650 (17)	0.0613 (16)	0.096 (2)	−0.0080 (13)	−0.0019 (15)	−0.0485 (16)
O7	0.0509 (13)	0.0465 (13)	0.0437 (12)	−0.0153 (10)	−0.0015 (10)	−0.0137 (10)
O8	0.0477 (13)	0.0536 (14)	0.0387 (11)	−0.0029 (11)	0.0023 (10)	−0.0050 (10)
O9	0.186 (4)	0.103 (3)	0.113 (3)	−0.071 (3)	0.026 (3)	−0.070 (2)
O10	0.081 (2)	0.133 (3)	0.114 (3)	−0.033 (2)	0.014 (2)	−0.061 (3)
C1	0.0332 (14)	0.0337 (15)	0.0344 (14)	−0.0051 (11)	−0.0031 (11)	−0.0178 (12)
C2	0.060 (2)	0.0330 (15)	0.0372 (15)	−0.0097 (14)	0.0060 (14)	−0.0175 (13)
C3	0.056 (2)	0.0510 (19)	0.0433 (17)	−0.0050 (16)	−0.0004 (15)	−0.0260 (15)
C4	0.069 (2)	0.074 (3)	0.064 (2)	−0.017 (2)	0.0057 (19)	−0.048 (2)
C5	0.0502 (18)	0.0448 (18)	0.0475 (17)	−0.0153 (14)	0.0090 (14)	−0.0287 (15)
C6	0.073 (3)	0.075 (3)	0.052 (2)	−0.032 (2)	0.0218 (18)	−0.0345 (19)
C7	0.072 (3)	0.120 (4)	0.093 (3)	−0.052 (3)	0.044 (3)	−0.074 (3)
C8	0.048 (2)	0.120 (4)	0.126 (4)	−0.019 (2)	0.011 (3)	−0.094 (4)
C9	0.052 (2)	0.086 (3)	0.092 (3)	−0.008 (2)	−0.005 (2)	−0.053 (3)
C10	0.049 (2)	0.056 (2)	0.058 (2)	−0.0118 (16)	0.0026 (16)	−0.0274 (17)
C11	0.0348 (15)	0.0378 (16)	0.0340 (14)	−0.0044 (12)	0.0009 (12)	−0.0174 (12)
C12	0.0337 (15)	0.0412 (16)	0.0393 (15)	−0.0021 (12)	0.0012 (12)	−0.0140 (13)
C13	0.0402 (18)	0.0446 (19)	0.069 (2)	−0.0041 (14)	−0.0020 (16)	−0.0212 (17)
C14	0.100 (3)	0.044 (2)	0.091 (3)	−0.002 (2)	−0.021 (3)	−0.006 (2)
C15	0.0533 (19)	0.0379 (16)	0.0378 (16)	−0.0060 (14)	−0.0043 (14)	−0.0107 (13)
C16	0.070 (2)	0.063 (2)	0.0498 (19)	0.0043 (19)	−0.0079 (17)	−0.0250 (18)
C17	0.138 (5)	0.072 (3)	0.055 (2)	−0.001 (3)	0.000 (3)	−0.035 (2)
C18	0.173 (6)	0.091 (4)	0.054 (3)	−0.064 (4)	−0.004 (3)	−0.032 (2)
C19	0.111 (4)	0.128 (4)	0.055 (2)	−0.074 (4)	0.001 (3)	−0.030 (3)
C20	0.060 (2)	0.089 (3)	0.049 (2)	−0.028 (2)	−0.0022 (17)	−0.0189 (19)
C21	0.055 (2)	0.0337 (16)	0.0361 (15)	−0.0111 (14)	−0.0002 (14)	−0.0120 (13)
C22	0.068 (2)	0.078 (3)	0.0388 (18)	−0.034 (2)	−0.0043 (16)	−0.0007 (17)
C23	0.119 (4)	0.071 (3)	0.051 (2)	−0.031 (3)	0.017 (2)	−0.028 (2)
C24	0.110 (4)	0.080 (3)	0.091 (3)	−0.012 (3)	0.036 (3)	−0.044 (3)
C25	0.0473 (19)	0.053 (2)	0.0514 (19)	−0.0116 (16)	0.0081 (15)	−0.0160 (16)
C26	0.082 (3)	0.071 (3)	0.069 (3)	−0.019 (2)	−0.001 (2)	−0.034 (2)
C27	0.083 (3)	0.096 (4)	0.118 (4)	−0.011 (3)	−0.002 (3)	−0.069 (3)
C28	0.090 (4)	0.078 (4)	0.179 (7)	−0.022 (3)	0.022 (4)	−0.074 (4)
C29	0.128 (5)	0.051 (3)	0.143 (5)	−0.026 (3)	0.036 (4)	−0.018 (3)
C30	0.086 (3)	0.064 (3)	0.068 (3)	−0.014 (2)	0.011 (2)	−0.007 (2)
C31	0.052 (2)	0.0478 (19)	0.063 (2)	0.0087 (16)	−0.0094 (17)	−0.0239 (17)
C32	0.072 (3)	0.049 (2)	0.070 (2)	0.0162 (19)	−0.006 (2)	−0.0203 (19)
C33	0.090 (3)	0.0308 (17)	0.065 (2)	0.0020 (19)	0.015 (2)	−0.0125 (16)
C34	0.073 (2)	0.0331 (16)	0.0558 (19)	−0.0143 (16)	0.0210 (18)	−0.0220 (15)
C35	0.0512 (18)	0.0303 (15)	0.0438 (16)	−0.0106 (13)	0.0107 (14)	−0.0190 (13)
C36	0.0464 (18)	0.0437 (17)	0.0460 (17)	−0.0184 (14)	0.0125 (14)	−0.0270 (14)
C37	0.053 (2)	0.065 (2)	0.065 (2)	−0.0297 (17)	0.0187 (17)	−0.0442 (19)
C38	0.052 (2)	0.095 (3)	0.094 (3)	−0.029 (2)	0.009 (2)	−0.066 (3)
C39	0.041 (2)	0.096 (3)	0.083 (3)	−0.0063 (19)	−0.0087 (18)	−0.055 (2)
C40	0.0412 (18)	0.058 (2)	0.062 (2)	−0.0072 (15)	−0.0010 (16)	−0.0301 (17)
C41	0.086 (3)	0.045 (2)	0.093 (3)	−0.027 (2)	0.031 (2)	−0.042 (2)
C42	0.080 (3)	0.065 (2)	0.094 (3)	−0.045 (2)	0.032 (2)	−0.055 (2)

Geometric parameters (Å, º)

La1—O4	2.431 (2)	C12—H12A	0.9700
La1—O1^i	2.4672 (19)	C12—H12B	0.9700
La1—O5^i	2.474 (2)	C13—C14	1.510 (5)
La1—O8	2.513 (2)	C14—H14A	0.9600
La1—O7	2.573 (2)	C14—H14B	0.9600
La1—O1	2.5762 (19)	C14—H14C	0.9600
La1—N4	2.658 (2)	C15—C20	1.378 (5)
La1—N5	2.674 (2)	C15—C16	1.388 (5)
La1—O2	2.675 (2)	C16—C17	1.386 (6)
La1—La1^i	4.0167 (9)	C16—H16	0.9300
N1—C3	1.356 (4)	C17—C18	1.391 (7)
N1—C5	1.433 (4)	C17—H17	0.9300
N1—C2	1.458 (4)	C18—C19	1.360 (8)
N2—C13	1.359 (4)	C18—H18	0.9300
N2—C15	1.434 (4)	C19—C20	1.376 (6)
N2—C12	1.455 (4)	C19—H19	0.9300
N3—C23	1.350 (5)	C20—H20	0.9300
N3—C25	1.428 (5)	C21—C22	1.525 (4)
N3—C22	1.460 (5)	C22—H22A	0.9700
N4—C31	1.333 (4)	C22—H22B	0.9700
N4—C35	1.357 (4)	C23—C24	1.491 (7)
N5—C40	1.326 (4)	C24—H24A	0.9600
N5—C36	1.362 (4)	C24—H24B	0.9600
O1—C1	1.281 (3)	C24—H24C	0.9600
O1—La1^i	2.4672 (19)	C25—C30	1.375 (5)
O2—C1	1.235 (3)	C25—C26	1.377 (5)
O3—C3	1.225 (4)	C26—C27	1.386 (6)
O4—C11	1.255 (3)	C26—H26	0.9300
O5—C11	1.260 (3)	C27—C28	1.369 (8)
O5—La1^i	2.474 (2)	C27—H27	0.9300
O6—C13	1.226 (4)	C28—C29	1.353 (8)
O7—C21	1.250 (4)	C28—H28	0.9300
O8—C21	1.257 (4)	C29—C30	1.401 (7)
O9—C23	1.234 (5)	C29—H29	0.9300
O10—H1	0.912 (10)	C30—H30	0.9300
O10—H2	0.910 (10)	C31—C32	1.388 (5)
C1—C2	1.513 (4)	C31—H31	0.9300
C2—H2A	0.9700	C32—C33	1.366 (6)
C2—H2B	0.9700	C32—H32	0.9300
C3—C4	1.512 (4)	C33—C34	1.392 (5)
C4—H4A	0.9600	C33—H33	0.9300
C4—H4B	0.9600	C34—C35	1.413 (4)
C4—H4C	0.9600	C34—C41	1.430 (5)
C5—C6	1.375 (4)	C35—C36	1.435 (4)
C5—C10	1.386 (5)	C36—C37	1.409 (4)
C6—C7	1.397 (6)	C37—C38	1.397 (5)
C6—H6	0.9300	C37—C42	1.436 (5)
C7—C8	1.375 (7)	C38—C39	1.357 (6)
C7—H7	0.9300	C38—H38	0.9300
C8—C9	1.371 (6)	C39—C40	1.391 (5)
C8—H8	0.9300	C39—H39	0.9300
C9—C10	1.374 (5)	C40—H40	0.9300
C9—H9	0.9300	C41—C42	1.343 (6)
C10—H10	0.9300	C41—H41	0.9300
C11—C12	1.522 (4)	C42—H42	0.9300
O4—La1—O1^i	71.81 (7)	C9—C8—C7	119.9 (4)
O4—La1—O5^i	137.42 (7)	C9—C8—H8	120.1
O1^i—La1—O5^i	73.33 (7)	C7—C8—H8	120.1
O4—La1—O8	131.95 (7)	C8—C9—C10	120.2 (4)
O1^i—La1—O8	96.20 (7)	C8—C9—H9	119.9
O5^i—La1—O8	75.30 (7)	C10—C9—H9	119.9
O4—La1—O7	80.62 (7)	C9—C10—C5	120.3 (3)
O1^i—La1—O7	76.90 (6)	C9—C10—H10	119.9
O5^i—La1—O7	114.15 (7)	C5—C10—H10	119.9
O8—La1—O7	51.39 (7)	O4—C11—O5	126.2 (3)
O4—La1—O1	75.37 (6)	O4—C11—C12	116.9 (2)
O1^i—La1—O1	74.44 (7)	O5—C11—C12	116.9 (3)
O5^i—La1—O1	72.34 (6)	N2—C12—C11	112.5 (2)
O8—La1—O1	147.64 (7)	N2—C12—H12A	109.1
O7—La1—O1	147.09 (7)	C11—C12—H12A	109.1
O4—La1—N4	85.07 (7)	N2—C12—H12B	109.1
O1^i—La1—N4	142.77 (7)	C11—C12—H12B	109.1
O5^i—La1—N4	137.09 (7)	H12A—C12—H12B	107.8
O8—La1—N4	77.70 (8)	O6—C13—N2	122.0 (3)
O7—La1—N4	70.70 (7)	O6—C13—C14	122.0 (3)
O1—La1—N4	128.09 (7)	N2—C13—C14	116.0 (3)
O4—La1—N5	131.50 (7)	C13—C14—H14A	109.5
O1^i—La1—N5	153.46 (7)	C13—C14—H14B	109.5
O5^i—La1—N5	80.13 (7)	H14A—C14—H14B	109.5
O8—La1—N5	77.00 (8)	C13—C14—H14C	109.5
O7—La1—N5	115.34 (7)	H14A—C14—H14C	109.5
O1—La1—N5	97.47 (7)	H14B—C14—H14C	109.5
N4—La1—N5	61.59 (8)	C20—C15—C16	120.3 (3)
O4—La1—O2	72.04 (7)	C20—C15—N2	119.8 (3)
O1^i—La1—O2	118.70 (6)	C16—C15—N2	119.6 (3)
O5^i—La1—O2	105.22 (7)	C17—C16—C15	119.4 (4)
O8—La1—O2	144.07 (7)	C17—C16—H16	120.3
O7—La1—O2	140.54 (7)	C15—C16—H16	120.3
O1—La1—O2	49.42 (6)	C16—C17—C18	119.4 (5)
N4—La1—O2	78.95 (7)	C16—C17—H17	120.3
N5—La1—O2	67.94 (7)	C18—C17—H17	120.3
O4—La1—C21	106.15 (8)	C19—C18—C17	120.8 (4)
O1^i—La1—C21	87.97 (7)	C19—C18—H18	119.6
O5^i—La1—C21	96.20 (8)	C17—C18—H18	119.6
O8—La1—C21	25.80 (8)	C18—C19—C20	120.1 (5)
O7—La1—C21	25.72 (8)	C18—C19—H19	119.9
O1—La1—C21	161.05 (7)	C20—C19—H19	119.9
N4—La1—C21	70.55 (8)	C19—C20—C15	120.0 (4)
N5—La1—C21	95.26 (8)	C19—C20—H20	120.0
O2—La1—C21	149.46 (7)	C15—C20—H20	120.0
O4—La1—C1	69.91 (7)	O7—C21—O8	123.3 (3)
O1^i—La1—C1	96.18 (7)	O7—C21—C22	116.7 (3)
O5^i—La1—C1	90.54 (7)	O8—C21—C22	120.0 (3)
O8—La1—C1	157.61 (8)	O7—C21—La1	63.26 (15)
O7—La1—C1	150.37 (7)	O8—C21—La1	60.51 (15)
O1—La1—C1	25.22 (6)	C22—C21—La1	170.1 (2)
N4—La1—C1	102.89 (7)	N3—C22—C21	115.0 (3)
N5—La1—C1	83.62 (7)	N3—C22—H22A	108.5
O2—La1—C1	24.37 (6)	C21—C22—H22A	108.5
C21—La1—C1	172.89 (8)	N3—C22—H22B	108.5
O4—La1—La1^i	69.28 (5)	C21—C22—H22B	108.5
O1^i—La1—La1^i	38.16 (4)	H22A—C22—H22B	107.5
O5^i—La1—La1^i	68.24 (5)	O9—C23—N3	120.1 (5)
O8—La1—La1^i	127.46 (6)	O9—C23—C24	122.0 (5)
O7—La1—La1^i	113.53 (5)	N3—C23—C24	117.9 (4)
O1—La1—La1^i	36.28 (4)	C23—C24—H24A	109.5
N4—La1—La1^i	152.22 (6)	C23—C24—H24B	109.5
N5—La1—La1^i	129.26 (5)	H24A—C24—H24B	109.5
O2—La1—La1^i	82.98 (4)	C23—C24—H24C	109.5
C21—La1—La1^i	125.79 (6)	H24A—C24—H24C	109.5
C1—La1—La1^i	59.06 (5)	H24B—C24—H24C	109.5
C3—N1—C5	124.9 (2)	C30—C25—C26	120.3 (4)
C3—N1—C2	117.2 (3)	C30—C25—N3	119.2 (4)
C5—N1—C2	117.7 (2)	C26—C25—N3	120.4 (3)
C13—N2—C15	125.5 (3)	C25—C26—C27	119.7 (4)
C13—N2—C12	119.8 (3)	C25—C26—H26	120.2
C15—N2—C12	114.6 (2)	C27—C26—H26	120.2
C23—N3—C25	123.3 (3)	C28—C27—C26	119.9 (5)
C23—N3—C22	118.4 (3)	C28—C27—H27	120.1
C25—N3—C22	118.1 (3)	C26—C27—H27	120.1
C31—N4—C35	117.7 (3)	C29—C28—C27	120.8 (5)
C31—N4—La1	121.1 (2)	C29—C28—H28	119.6
C35—N4—La1	121.13 (19)	C27—C28—H28	119.6
C40—N5—C36	117.9 (3)	C28—C29—C30	120.1 (5)
C40—N5—La1	121.8 (2)	C28—C29—H29	120.0
C36—N5—La1	120.32 (19)	C30—C29—H29	120.0
C1—O1—La1^i	142.23 (18)	C25—C30—C29	119.1 (5)
C1—O1—La1	95.85 (16)	C25—C30—H30	120.5
La1^i—O1—La1	105.56 (7)	C29—C30—H30	120.5
C1—O2—La1	92.33 (16)	N4—C31—C32	124.3 (4)
C11—O4—La1	138.17 (18)	N4—C31—H31	117.9
C11—O5—La1^i	137.84 (18)	C32—C31—H31	117.9
C21—O7—La1	91.02 (17)	C33—C32—C31	118.0 (4)
C21—O8—La1	93.69 (18)	C33—C32—H32	121.0
H1—O10—H2	108 (2)	C31—C32—H32	121.0
O2—C1—O1	121.6 (2)	C32—C33—C34	120.3 (3)
O2—C1—C2	123.1 (2)	C32—C33—H33	119.9
O1—C1—C2	115.3 (2)	C34—C33—H33	119.9
O2—C1—La1	63.30 (14)	C33—C34—C35	118.0 (3)
O1—C1—La1	58.93 (13)	C33—C34—C41	122.8 (3)
C2—C1—La1	168.95 (19)	C35—C34—C41	119.2 (4)
N1—C2—C1	114.5 (2)	N4—C35—C34	121.7 (3)
N1—C2—H2A	108.6	N4—C35—C36	118.4 (3)
C1—C2—H2A	108.6	C34—C35—C36	119.9 (3)
N1—C2—H2B	108.6	N5—C36—C37	122.3 (3)
C1—C2—H2B	108.6	N5—C36—C35	118.5 (3)
H2A—C2—H2B	107.6	C37—C36—C35	119.2 (3)
O3—C3—N1	120.5 (3)	C38—C37—C36	117.3 (3)
O3—C3—C4	121.5 (3)	C38—C37—C42	123.2 (3)
N1—C3—C4	117.9 (3)	C36—C37—C42	119.5 (4)
C3—C4—H4A	109.5	C39—C38—C37	120.1 (3)
C3—C4—H4B	109.5	C39—C38—H38	120.0
H4A—C4—H4B	109.5	C37—C38—H38	120.0
C3—C4—H4C	109.5	C38—C39—C40	119.1 (4)
H4A—C4—H4C	109.5	C38—C39—H39	120.4
H4B—C4—H4C	109.5	C40—C39—H39	120.4
C6—C5—C10	120.1 (3)	N5—C40—C39	123.2 (3)
C6—C5—N1	120.3 (3)	N5—C40—H40	118.4
C10—C5—N1	119.6 (3)	C39—C40—H40	118.4
C5—C6—C7	119.0 (4)	C42—C41—C34	121.1 (3)
C5—C6—H6	120.5	C42—C41—H41	119.4
C7—C6—H6	120.5	C34—C41—H41	119.4
C8—C7—C6	120.5 (4)	C41—C42—C37	121.1 (3)
C8—C7—H7	119.7	C41—C42—H42	119.4
C6—C7—H7	119.7	C37—C42—H42	119.4

Symmetry code: (i) −x+2, −y, −z+2.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O10—H1···O3^ii	0.91 (1)	1.96 (1)	2.858 (5)	168 (3)
O10—H2···O9^iii	0.91 (1)	1.93 (1)	2.836 (5)	178 (4)

Symmetry codes: (ii) x−1, y, z−1; (iii) x−1, y, z.