Diaqua­bis[1,4-bis­(1-imidazol­yl)­benzene]­tri­nitrato­lanthanum(III) 1,4-bis­(1-imidazol­yl)benzene hemi­solvate monohydrate

Sun, W.-Y.; Zhang, Z.-H.; Zhong, J.-M.; Kawaguchi, H.

doi:10.1107/S1600536805026954

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Diaquabis[1,4-bis(1-imidazolyl)benzene]trinitratolanthanum(III) 1,4-bis(1-imidazolyl)benzene hemisolvate monohydrate

W.-Y. Sun, Z.-H. Zhang, J.-M. Zhong and H. Kawaguchi

In the title complex, [La(NO₃)₂(bib)₂(H₂O)₂]·0.5bib·H₂O [bib is 1,4-bis(1-imidazolyl)benzene, C₁₂H₁₀N₄], the La^III atom is coordinated by two N atoms from two bib ligands and eight O atoms from three nitrate and two water ligands. This mononuclear complex is further extended into a three-dimensional structure via hydrogen bonds with free bib and water molecules of crystallization, the former lying on inversion centers.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805026954/sg6023sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536805026954/sg6023Isup2.hkl Contains datablock I

CCDC reference: 285518

checkCIF report

Key indicators

Single-crystal X-ray study
T = 173 K
Mean (C-C) = 0.004 Å
H-atom completeness 94%
R factor = 0.026
wR factor = 0.075
Data-to-parameter ratio = 14.2

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  La1    -   O4      ..      11.85 su

Alert level C
REFLT03_ALERT_3_C  Reflection count < 95% complete
           From the CIF: _diffrn_reflns_theta_max           27.48
           From the CIF: _diffrn_reflns_theta_full          27.50
           From the CIF: _reflns_number_total               7594
           TEST2: Reflns within _diffrn_reflns_theta_max
           Count of symmetry unique reflns         8239
           Completeness (_total/calc)             92.17%
PLAT022_ALERT_3_C Ratio Unique / Expected Reflections too Low ....       0.92
PLAT028_ALERT_3_C _diffrn_measured_fraction_theta_max  Low .......       0.92
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...          ?
PLAT220_ALERT_2_C Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       2.59 Ratio
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  La1    -   O1      ..       8.60 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  La1    -   O2      ..       6.05 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  La1    -   O5      ..       7.96 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  La1    -   O7      ..       9.43 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  La1    -   O8      ..       8.05 su
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          3
              H2 O

Alert level G
FORMU01_ALERT_2_G  There is a discrepancy between the atom counts in the
            _chemical_formula_sum and the formula from the _atom_site* data.
            Atom count from _chemical_formula_sum:C30 H31 La1 N13 O12
            Atom count from the _atom_site data:  C30 H29 La1 N13 O12
CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected.
CELLZ01_ALERT_1_G WARNING: H atoms missing from atom site list. Is this intentional?
           From the CIF: _cell_formula_units_Z    2
           From the CIF: _chemical_formula_sum  C30 H31 La N13 O12
           TEST: Compare cell contents of formula and atom_site data

           atom    Z*formula  cif sites diff
           C         60.00     60.00    0.00
           H         62.00     58.00    4.00
           La         2.00      2.00    0.00
           N         26.00     26.00    0.00
           O         24.00     24.00    0.00

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
  13 ALERT level C = Check and explain
   3 ALERT level G = General alerts; check

   5 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
   3 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: CrystalClear (Rigaku, 2002); cell refinement: CrystalClear; data reduction: CrystalStructure (Rigaku/MSC, 2003); program(s) used to solve structure: SIR92 (Altomare et al., 1993); program(s) used to refine structure: CRYSTALS (Betteridge et al., 2003); molecular graphics: program (reference)?; software used to prepare material for publication: CrystalStructure.

Diaquabis[1,4-bis(1-imidazolyl)benzene]trinitratolanthanum(III) 1,4-bis(1-imidazolyl)benzene hemisolvate monohydrate top

Crystal data top

[La(NO₃)₂(C₁₂H₁₀N₄)₂(H₂O)₂]·0.5C₁₂H₁₀N₄·H₂O	Z = 2
M_r = 904.56	F(000) = 910.00
Triclinic, P1	D_x = 1.668 Mg m⁻³
Hall symbol: -P 1	Mo Kα radiation, λ = 0.7107 Å
a = 12.334 (9) Å	Cell parameters from 6488 reflections
b = 12.980 (11) Å	θ = 3.0–27.5°
c = 13.688 (10) Å	µ = 1.26 mm⁻¹
α = 112.510 (11)°	T = 173 K
β = 90.343 (2)°	Block, colorless
γ = 114.825 (10)°	0.20 × 0.20 × 0.12 mm
V = 1801 (2) Å³

Data collection top

Rigaku Saturn diffractometer	7085 reflections with F² > 2σ(F²)
Detector resolution: 7.31 pixels mm^-1	R_int = 0.032
ω scans	θ_max = 27.5°
Absorption correction: multi-scan (Jacobson, 1998)	h = −13→15
T_min = 0.715, T_max = 0.859	k = −16→16
27576 measured reflections	l = −17→17
7594 independent reflections

Refinement top

Refinement on F²	All H-atom parameters refined
R[F² > 2σ(F²)] = 0.026	w = 1/[0.0008F_o² + σ(F_o²)]/(4F_o²)
wR(F²) = 0.075	(Δ/σ)_max < 0.001
S = 1.00	Δρ_max = 1.38 e Å⁻³
7593 reflections	Δρ_min = −0.75 e Å⁻³
534 parameters

Special details top

Geometry. ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY

Refinement. Refinement using all reflections. The weighted R-factor (wR) and goodness of fit (S) are based on F². R-factor (gt) are based on F. The threshold expression of F² > 2.0 σ(F²) is used only for calculating R-factor (gt).

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
La1	0.88514 (1)	0.18937 (1)	0.14213 (1)	0.01359 (4)
O1	1.0839 (1)	0.3130 (2)	0.0807 (1)	0.0280 (4)
O2	1.06919 (13)	0.14317 (13)	0.08509 (12)	0.0193 (4)
O3	1.2267 (2)	0.2571 (2)	0.0380 (2)	0.0415 (5)
O4	0.8847 (1)	0.0093 (1)	0.18836 (11)	0.0227 (4)
O5	0.8137 (1)	0.1241 (2)	0.29978 (12)	0.0248 (4)
O6	0.8494 (2)	−0.0081 (2)	0.33822 (13)	0.0329 (5)
O7	0.6856 (1)	0.2102 (2)	0.19702 (13)	0.0250 (4)
O8	0.6563 (1)	0.0238 (2)	0.09019 (13)	0.0301 (4)
O9	0.5047 (2)	0.0519 (2)	0.1503 (2)	0.0497 (6)
O10	0.9327 (1)	0.41056 (13)	0.24951 (13)	0.0261 (4)
O11	0.8387 (2)	0.0270 (2)	−0.04749 (12)	0.0269 (4)
O12	0.5621 (2)	−0.2395 (2)	0.8727 (1)	0.0356 (5)
N1	1.0698 (2)	0.2913 (2)	0.3129 (1)	0.0217 (4)
N2	1.2304 (2)	0.3320 (2)	0.4217 (1)	0.0221 (4)
N3	1.6648 (2)	0.3353 (2)	0.55134 (13)	0.0193 (4)
N4	1.8347 (2)	0.3895 (2)	0.6559 (2)	0.0257 (5)
N5	0.8081 (2)	0.2606 (2)	0.0073 (1)	0.0204 (4)
N6	0.7005 (2)	0.3198 (2)	−0.06943 (13)	0.0180 (4)
N7	0.3038 (2)	0.3914 (2)	−0.1774 (1)	0.0193 (4)
N8	0.1974 (2)	0.4750 (2)	−0.2190 (2)	0.0272 (5)
N9	1.1294 (2)	0.2386 (2)	0.0671 (2)	0.0215 (4)
N10	0.8493 (2)	0.0412 (2)	0.2774 (1)	0.0202 (4)
N11	0.6135 (2)	0.0946 (2)	0.1467 (2)	0.0258 (5)
N12	0.8048 (2)	0.0215 (2)	0.7527 (2)	0.0301 (5)
N13	0.6984 (2)	0.0162 (2)	0.6186 (1)	0.0224 (4)
C1	1.1646 (2)	0.2700 (2)	0.3190 (2)	0.0239 (5)
C2	1.0749 (2)	0.3704 (2)	0.4171 (2)	0.0229 (5)
C3	1.1723 (2)	0.3962 (2)	0.4847 (2)	0.0236 (5)
C4	1.3401 (2)	0.3315 (2)	0.4542 (2)	0.0210 (5)
C5	1.3663 (2)	0.3380 (2)	0.5559 (2)	0.0253 (5)
C6	1.4739 (2)	0.3389 (2)	0.5873 (2)	0.0236 (5)
C7	1.5540 (2)	0.3332 (2)	0.5173 (2)	0.0196 (5)
C8	1.5272 (2)	0.3248 (2)	0.4149 (2)	0.0233 (5)
C9	1.4204 (2)	0.3252 (2)	0.3840 (2)	0.0254 (5)
C10	1.7376 (2)	0.4073 (2)	0.6508 (2)	0.0235 (5)
C11	1.8240 (2)	0.3026 (2)	0.5545 (2)	0.0253 (5)
C12	1.7209 (2)	0.2688 (2)	0.4890 (2)	0.0244 (5)
C13	0.7006 (2)	0.2551 (2)	−0.0114 (2)	0.0196 (5)
C14	0.8807 (2)	0.3316 (2)	−0.0425 (2)	0.0308 (6)
C15	0.8167 (2)	0.3701 (2)	−0.0891 (2)	0.0314 (6)
C16	0.6006 (2)	0.3381 (2)	−0.0976 (2)	0.0167 (5)
C17	0.6216 (2)	0.4507 (2)	−0.1005 (2)	0.0189 (5)
C18	0.5242 (2)	0.4691 (2)	−0.1271 (2)	0.0192 (5)
C19	0.4058 (2)	0.3754 (2)	−0.1485 (2)	0.0170 (5)
C20	0.3852 (2)	0.2640 (2)	−0.1427 (2)	0.0198 (5)
C21	0.4824 (2)	0.2449 (2)	−0.1180 (2)	0.0195 (5)
C22	0.3075 (2)	0.4932 (2)	−0.1868 (2)	0.0228 (5)
C23	0.1202 (2)	0.3558 (2)	−0.2317 (2)	0.0380 (7)
C24	0.1836 (2)	0.3033 (2)	−0.2064 (2)	0.0380 (7)
C25	0.4769 (2)	−0.0570 (2)	0.3880 (2)	0.0245 (5)
C26	0.5754 (2)	−0.0476 (2)	0.4462 (2)	0.0241 (5)
C27	0.5988 (2)	0.0091 (2)	0.5587 (2)	0.0203 (5)
C28	0.7043 (2)	0.0184 (2)	0.7188 (2)	0.0276 (6)
C29	0.8701 (2)	0.0224 (2)	0.6707 (2)	0.0283 (6)
C30	0.8056 (2)	0.0192 (2)	0.5873 (2)	0.0271 (6)
H(1)	1.1846	0.2166	0.2580	0.0281*
H(2)	1.0167	0.4028	0.4383	0.0290*
H(3)	1.1963	0.4486	0.5618	0.0287*
H(4)	1.3094	0.3415	0.6041	0.0311*
H(5)	1.4934	0.3441	0.6583	0.0284*
H(6)	1.5828	0.3187	0.3657	0.0284*
H(7)	1.4012	0.3208	0.3132	0.0303*
H(8)	1.7202	0.4646	0.7107	0.0271*
H(9)	1.8825	0.2704	0.5333	0.0312*
H(10)	1.6923	0.2099	0.4135	0.0292*
H(11)	0.6299	0.2103	0.0134	0.0262*
H(12)	0.9657	0.3516	−0.0433	0.0446*
H(13)	0.8463	0.4216	−0.1284	0.0463*
H(14)	0.7045	0.5163	−0.0844	0.0242*
H(15)	0.5386	0.5471	−0.1302	0.0247*
H(16)	0.3024	0.1995	−0.1558	0.0233*
H(17)	0.4682	0.1666	−0.1155	0.0254*
H(18)	0.3815	0.5698	−0.1713	0.0278*
H(19)	0.0324	0.3157	−0.2550	0.0447*
H(20)	0.1509	0.2202	−0.2084	0.0463*
H(21)	0.4601	−0.0973	0.3098	0.0306*
H(22)	0.6286	−0.0800	0.4089	0.0309*
H(23)	0.6405	0.0171	0.7601	0.0368*
H(24)	0.9500	0.0252	0.6722	0.0352*
H(25)	0.8297	0.0190	0.5200	0.0360*
H(26)	1.0041 (1)	0.47541 (13)	0.27668 (13)	0.0289 (11)*
H(27)	0.8294 (2)	0.0263 (2)	−0.11634 (12)	0.0364 (11)*
H(28)	0.6359 (2)	−0.2034 (2)	0.9145 (1)	0.0419 (11)*
H(29)	0.5579 (2)	−0.1794 (2)	0.8635 (1)	0.0417 (11)*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
La1	0.01312 (7)	0.01426 (7)	0.01643 (7)	0.00841 (5)	0.00271 (5)	0.00707 (5)
O1	0.0227 (7)	0.0265 (8)	0.0500 (10)	0.0172 (7)	0.0137 (7)	0.0240 (7)
O2	0.0187 (7)	0.0188 (7)	0.0264 (7)	0.0113 (6)	0.0070 (6)	0.0124 (6)
O3	0.0252 (9)	0.0381 (10)	0.079 (1)	0.0198 (8)	0.0285 (9)	0.0359 (10)
O4	0.0302 (8)	0.0239 (7)	0.0209 (7)	0.0167 (6)	0.0107 (6)	0.0111 (6)
O5	0.0312 (8)	0.0298 (8)	0.0256 (8)	0.0223 (7)	0.0133 (6)	0.0142 (6)
O6	0.0438 (10)	0.0429 (10)	0.0308 (9)	0.0262 (9)	0.0133 (7)	0.0266 (8)
O7	0.0238 (8)	0.0274 (8)	0.0301 (8)	0.0154 (7)	0.0089 (6)	0.0142 (7)
O8	0.0226 (8)	0.0255 (8)	0.0327 (9)	0.0067 (7)	0.0061 (7)	0.0078 (7)
O9	0.0195 (8)	0.0531 (12)	0.084 (2)	0.0131 (8)	0.0236 (9)	0.0396 (12)
O10	0.0201 (7)	0.0164 (7)	0.0358 (8)	0.0094 (6)	−0.0050 (6)	0.0042 (6)
O11	0.0387 (9)	0.0345 (8)	0.0168 (7)	0.0274 (8)	0.0029 (6)	0.0082 (6)
O12	0.0377 (9)	0.0331 (9)	0.0331 (9)	0.0148 (8)	0.0053 (7)	0.0127 (7)
N1	0.0215 (9)	0.0222 (8)	0.0221 (9)	0.0131 (7)	−0.0004 (7)	0.0065 (7)
N2	0.0216 (9)	0.0265 (9)	0.0184 (8)	0.0143 (8)	−0.0002 (7)	0.0063 (7)
N3	0.0155 (8)	0.0228 (8)	0.0187 (8)	0.0100 (7)	0.0018 (6)	0.0066 (7)
N4	0.0197 (9)	0.0294 (10)	0.0294 (10)	0.0120 (8)	0.0019 (7)	0.0131 (8)
N5	0.0223 (9)	0.0221 (8)	0.0235 (8)	0.0141 (7)	0.0043 (7)	0.0118 (7)
N6	0.0175 (8)	0.0224 (8)	0.0219 (8)	0.0125 (7)	0.0053 (6)	0.0132 (7)
N7	0.0172 (8)	0.0200 (8)	0.0229 (8)	0.0121 (7)	0.0019 (7)	0.0072 (7)
N8	0.0247 (9)	0.0246 (9)	0.0336 (10)	0.0170 (8)	−0.0015 (8)	0.0073 (8)
N9	0.0162 (8)	0.0219 (8)	0.0294 (9)	0.0097 (7)	0.0057 (7)	0.0124 (7)
N10	0.0202 (8)	0.0237 (9)	0.0199 (8)	0.0111 (7)	0.0047 (7)	0.0113 (7)
N11	0.0183 (9)	0.0338 (10)	0.0343 (10)	0.0116 (8)	0.0096 (8)	0.0233 (9)
N12	0.0317 (10)	0.0405 (11)	0.0236 (9)	0.0195 (9)	0.0038 (8)	0.0158 (8)
N13	0.0226 (9)	0.0291 (9)	0.0196 (8)	0.0124 (8)	0.0047 (7)	0.0136 (7)
C1	0.0241 (11)	0.0255 (11)	0.0201 (10)	0.0149 (9)	−0.0024 (8)	0.0041 (8)
C2	0.0205 (10)	0.0270 (11)	0.0256 (10)	0.0154 (9)	0.0053 (8)	0.0104 (9)
C3	0.0252 (10)	0.0273 (11)	0.0190 (10)	0.0159 (9)	0.0043 (8)	0.0063 (8)
C4	0.0188 (10)	0.0239 (10)	0.0193 (9)	0.0109 (8)	−0.0008 (8)	0.0070 (8)
C5	0.0220 (10)	0.0368 (12)	0.0186 (10)	0.0165 (9)	0.0058 (8)	0.0098 (9)
C6	0.0234 (10)	0.0308 (11)	0.0168 (9)	0.0138 (9)	0.0014 (8)	0.0088 (8)
C7	0.0180 (9)	0.0196 (9)	0.0186 (9)	0.0089 (8)	−0.0002 (7)	0.0053 (8)
C8	0.0214 (10)	0.0317 (11)	0.0174 (9)	0.0140 (9)	0.0045 (8)	0.0088 (8)
C9	0.0246 (11)	0.0343 (12)	0.0171 (9)	0.0144 (9)	0.0011 (8)	0.0097 (9)
C10	0.0215 (10)	0.0268 (10)	0.0192 (10)	0.0099 (9)	0.0008 (8)	0.0081 (8)
C11	0.0213 (10)	0.0246 (10)	0.0333 (12)	0.0132 (9)	0.0070 (9)	0.0125 (9)
C12	0.0239 (10)	0.0240 (10)	0.0246 (10)	0.0138 (9)	0.0054 (8)	0.0065 (8)
C13	0.0193 (9)	0.0224 (9)	0.0233 (10)	0.0121 (8)	0.0050 (8)	0.0128 (8)
C14	0.0229 (11)	0.046 (1)	0.043 (1)	0.0213 (11)	0.0128 (10)	0.0322 (12)
C15	0.0227 (11)	0.047 (1)	0.047 (1)	0.0193 (10)	0.0137 (10)	0.0373 (12)
C16	0.0189 (9)	0.0215 (9)	0.0156 (9)	0.0135 (8)	0.0034 (7)	0.0089 (8)
C17	0.0197 (9)	0.0197 (9)	0.0208 (9)	0.0093 (8)	0.0040 (8)	0.0117 (8)
C18	0.0219 (10)	0.0195 (9)	0.0210 (9)	0.0118 (8)	0.0051 (8)	0.0107 (8)
C19	0.0197 (9)	0.0206 (9)	0.0144 (9)	0.0130 (8)	0.0034 (7)	0.0065 (7)
C20	0.0171 (9)	0.0177 (9)	0.0239 (10)	0.0080 (8)	0.0014 (8)	0.0082 (8)
C21	0.0214 (10)	0.0176 (9)	0.0242 (10)	0.0115 (8)	0.0047 (8)	0.0105 (8)
C22	0.0232 (10)	0.0202 (9)	0.0261 (10)	0.0138 (8)	−0.0003 (8)	0.0066 (8)
C23	0.0200 (11)	0.0303 (12)	0.061 (2)	0.0119 (10)	−0.0043 (11)	0.0164 (12)
C24	0.0194 (11)	0.0279 (12)	0.068 (2)	0.0093 (10)	−0.0012 (11)	0.0230 (12)
C25	0.0285 (11)	0.0315 (11)	0.0164 (9)	0.0169 (9)	0.0054 (8)	0.0092 (8)
C26	0.0251 (11)	0.0314 (11)	0.0207 (10)	0.0169 (9)	0.0066 (8)	0.0113 (9)
C27	0.0194 (10)	0.0259 (10)	0.0200 (10)	0.0113 (8)	0.0034 (8)	0.0129 (8)
C28	0.0284 (11)	0.0422 (13)	0.0209 (10)	0.0202 (10)	0.0077 (9)	0.0174 (10)
C29	0.0230 (11)	0.0362 (12)	0.0287 (11)	0.0155 (10)	0.0040 (9)	0.0145 (10)
C30	0.0238 (11)	0.0397 (13)	0.0268 (11)	0.0193 (10)	0.0094 (9)	0.0174 (10)

Geometric parameters (Å, º) top

La1—O1	2.654 (2)	N13—C28	1.362 (3)
La1—O2	2.632 (2)	N13—C30	1.381 (3)
La1—O4	2.643 (2)	C1—H(1)	0.970
La1—O5	2.635 (2)	C2—C3	1.350 (4)
La1—O7	2.669 (2)	C2—H(2)	0.970
La1—O8	2.608 (3)	C3—H(3)	0.970
La1—O10	2.468 (2)	C4—C5	1.389 (4)
La1—O11	2.507 (3)	C4—C9	1.389 (3)
La1—N1	2.728 (2)	C5—C6	1.386 (4)
La1—N5	2.682 (2)	C5—H(4)	0.970
O1—N9	1.264 (3)	C6—C7	1.385 (3)
O2—N9	1.269 (3)	C6—H(5)	0.970
O3—N9	1.222 (3)	C7—C8	1.391 (3)
O4—N10	1.272 (2)	C8—C9	1.384 (4)
O5—N10	1.262 (3)	C8—H(6)	0.970
O6—N10	1.230 (3)	C9—H(7)	0.970
O7—N11	1.265 (2)	C10—H(8)	0.970
O8—N11	1.260 (3)	C11—C12	1.353 (4)
O9—N11	1.228 (3)	C11—H(9)	0.970
O10—H(26)	0.870 (2)	C12—H(10)	0.970
O11—H(27)	0.945 (3)	C13—H(11)	0.970
O12—H(28)	0.898 (3)	C14—C15	1.359 (5)
O12—H(29)	0.858 (4)	C14—H(12)	0.970
N1—C1	1.318 (4)	C15—H(13)	0.970
N1—C2	1.384 (3)	C16—C17	1.391 (4)
N2—C1	1.362 (3)	C16—C21	1.386 (2)
N2—C3	1.382 (3)	C17—C18	1.391 (4)
N2—C4	1.425 (3)	C17—H(14)	0.970
N3—C7	1.427 (3)	C18—C19	1.388 (2)
N3—C10	1.356 (2)	C18—H(15)	0.970
N3—C12	1.377 (3)	C19—C20	1.394 (4)
N4—C10	1.317 (4)	C20—C21	1.386 (4)
N4—C11	1.375 (3)	C20—H(16)	0.970
N5—C13	1.315 (3)	C21—H(17)	0.970
N5—C14	1.383 (4)	C22—H(18)	0.970
N6—C13	1.360 (4)	C23—C24	1.349 (5)
N6—C15	1.381 (3)	C23—H(19)	0.970
N6—C16	1.426 (3)	C24—H(20)	0.970
N7—C19	1.434 (3)	C25—C26	1.384 (4)
N7—C22	1.357 (4)	C25—H(21)	0.970
N7—C24	1.373 (3)	C26—C27	1.395 (3)
N8—C22	1.319 (3)	C26—H(22)	0.970
N8—C23	1.373 (3)	C28—H(23)	0.970
N12—C28	1.301 (4)	C29—C30	1.365 (4)
N12—C29	1.387 (3)	C29—H(24)	0.970
N13—C27	1.423 (3)	C30—H(25)	0.970

La1···O1	2.654 (2)	C13···H(12)	3.074
La1···O2	2.632 (2)	C13···H(13)	3.145
La1···O4	2.643 (2)	C13···H(17)	2.739
La1···O5	2.635 (2)	C13···H(18)	3.171
La1···O7	2.669 (2)	C14···O1	3.157 (4)
La1···O8	2.609 (1)	C14···N6	2.182 (4)
La1···O10	2.468 (2)	C14···C13	2.141 (3)
La1···O11	2.507 (1)	C14···C16	3.573 (4)
La1···N1	2.728 (2)	C14···H(11)	3.081
La1···N5	2.682 (2)	C14···H(12)	3.407
La1···N9	3.076 (2)	C14···H(13)	2.094
La1···N10	3.057 (2)	C14···H(13)	3.490
La1···N11	3.056 (2)	C14···H(19)	3.455
La1···H(26)	3.080 (1)	C14···H(27)	3.457 (4)
La1···H(27)	3.238 (1)	C15···N5	2.255 (4)
O1···La1	2.654 (2)	C15···C13	2.203 (4)
O1···O2	2.158 (3)	C15···C16	2.514 (4)
O1···O3	2.174 (3)	C15···C17	3.024 (4)
O1···O10	3.196 (3)	C15···H(11)	3.136
O1···O11	3.396 (2)	C15···H(12)	2.073
O1···N1	3.296 (3)	C15···H(12)	3.213
O1···N5	3.248 (3)	C15···H(14)	2.762
O1···C14	3.157 (4)	C16···N5	3.583 (4)
O1···C17	3.559 (2)	C16···C13	2.479 (4)
O1···H(1)	3.547	C16···C14	3.573 (4)
O1···H(12)	2.550	C16···C15	2.514 (4)
O1···H(13)	2.970	C16···C18	2.410 (4)
O1···H(14)	2.604	C16···C19	2.777 (4)
O1···H(26)	3.171 (2)	C16···C20	2.396 (3)
O2···La1	2.632 (2)	C16···C22	3.545 (3)
O2···O1	2.158 (3)	C16···H(11)	2.759
O2···O2	3.186 (2)	C16···H(13)	2.854
O2···O3	2.170 (3)	C16···H(14)	2.053
O2···O4	2.966 (2)	C16···H(15)	3.288
O2···O11	2.810 (2)	C16···H(16)	3.272
O2···O11	2.771 (3)	C16···H(17)	2.051
O2···N1	2.970 (2)	C16···H(18)	3.380
O2···C1	2.939 (3)	C16···H(21)	3.135
O2···H(1)	2.372	C17···O1	3.559 (2)
O2···H(27)	3.404 (2)	C17···O3	3.186 (3)
O2···H(27)	3.100 (3)	C17···N6	2.440 (4)
O3···O1	2.174 (3)	C17···N7	3.453 (3)
O3···O2	2.170 (3)	C17···C15	3.024 (4)
O3···O4	3.347 (2)	C17···C19	2.404 (3)
O3···O11	3.483 (3)	C17···C19	3.404 (3)
O3···C17	3.186 (3)	C17···C20	2.772 (2)
O3···C18	3.321 (2)	C17···C21	2.408 (3)
O3···C20	3.167 (3)	C17···H(13)	2.958
O3···H(1)	3.258	C17···H(15)	2.059
O3···H(14)	2.499	C17···H(17)	3.283
O3···H(15)	2.784	C18···O3	3.321 (2)
O3···H(16)	2.750	C18···N7	2.454 (3)
O3···H(20)	3.290	C18···C16	2.410 (4)
O4···La1	2.643 (2)	C18···C18	3.377 (3)
O4···O2	2.966 (2)	C18···C19	3.424 (3)
O4···O3	3.347 (2)	C18···C20	2.408 (3)
O4···O5	2.164 (3)	C18···C21	2.787 (4)
O4···O6	2.175 (3)	C18···C22	2.962 (4)
O4···O8	3.220 (3)	C18···H(14)	2.057
O4···O11	3.384 (3)	C18···H(16)	3.283
O4···N1	3.110 (2)	C18···H(18)	2.774
O4···C1	3.471 (2)	C19···N8	3.595 (4)
O4···C20	3.524 (2)	C19···C16	2.777 (4)
O4···H(1)	3.387	C19···C17	2.404 (3)
O4···H(16)	2.585	C19···C17	3.404 (3)
O4···H(20)	2.944	C19···C18	3.424 (3)
O5···La1	2.635 (2)	C19···C21	2.413 (4)
O5···O4	2.164 (3)	C19···C22	2.498 (4)
O5···O6	2.178 (3)	C19···C23	3.570 (4)
O5···O7	2.896 (3)	C19···C24	2.503 (3)
O5···O8	2.940 (2)	C19···H(14)	3.281
O5···N1	2.942 (2)	C19···H(14)	3.495
O5···N11	3.027 (3)	C19···H(15)	2.053
O5···C2	3.245 (2)	C19···H(15)	3.534
O5···H(2)	3.168	C19···H(16)	2.056
O5···H(16)	3.487	C19···H(17)	3.290
O5···H(22)	3.529	C19···H(18)	2.791
O6···O4	2.175 (3)	C19···H(20)	2.828
O6···O5	2.178 (3)	C20···O4	3.524 (2)
O6···C20	3.405 (2)	C20···O6	3.405 (2)
O6···C24	3.390 (3)	C20···N7	2.442 (4)
O6···C30	3.361 (3)	C20···N10	3.490 (2)
O6···H(16)	2.683	C20···C16	2.396 (3)
O6···H(20)	2.641	C20···C17	2.772 (2)
O6···H(22)	2.795	C20···C18	2.408 (3)
O6···H(25)	2.404	C20···C24	2.931 (4)
O7···La1	2.669 (2)	C20···H(15)	3.285
O7···O5	2.896 (3)	C20···H(15)	3.444
O7···O8	2.163 (2)	C20···H(17)	2.055
O7···O9	2.176 (2)	C20···H(20)	2.772
O7···O10	2.908 (2)	C20···H(22)	3.463
O7···N5	3.158 (3)	C21···O8	3.354 (3)
O7···C13	3.114 (3)	C21···N6	2.431 (3)
O7···H(11)	2.602	C21···C13	2.982 (4)
O7···H(18)	3.422	C21···C17	2.408 (3)
O8···La1	2.609 (1)	C21···C18	2.787 (4)
O8···O4	3.220 (3)	C21···C19	2.413 (4)
O8···O5	2.940 (2)	C21···H(11)	2.830
O8···O7	2.163 (2)	C21···H(14)	3.281
O8···O9	2.161 (3)	C21···H(15)	3.532
O8···O9	3.398 (3)	C21···H(16)	2.049
O8···O11	2.940 (2)	C21···H(21)	2.894
O8···N5	3.480 (3)	C22···N6	3.448 (3)
O8···N10	3.364 (3)	C22···C13	3.397 (3)
O8···C21	3.354 (3)	C22···C16	3.545 (3)
O8···H(11)	3.112	C22···C18	2.962 (4)
O8···H(11)	3.367	C22···C19	2.498 (4)
O8···H(16)	3.563	C22···C23	2.140 (3)
O8···H(17)	2.462	C22···C24	2.192 (3)
O8···H(27)	3.555 (2)	C22···H(11)	3.396
O9···O7	2.176 (2)	C22···H(15)	2.663
O9···O8	2.161 (3)	C22···H(19)	3.074
O9···O8	3.398 (3)	C22···H(20)	3.134
O9···C13	3.402 (2)	C23···O10	3.450 (4)
O9···H(11)	3.231	C23···N7	2.176 (4)
O9···H(11)	2.955	C23···C19	3.570 (4)
O9···H(17)	2.856	C23···C22	2.140 (3)
O9···H(21)	3.343	C23···H(18)	3.079
O10···La1	2.468 (2)	C23···H(20)	2.083
O10···O1	3.196 (3)	C23···H(26)	3.372 (4)
O10···O7	2.908 (2)	C24···O6	3.390 (3)
O10···N1	3.037 (3)	C24···N8	2.236 (4)
O10···N5	3.103 (2)	C24···C19	2.503 (3)
O10···N8	2.725 (3)	C24···C20	2.931 (4)
O10···C2	3.201 (4)	C24···C22	2.192 (3)
O10···C23	3.450 (4)	C24···H(16)	2.609
O10···H(2)	2.831	C24···H(18)	3.127
O10···H(13)	3.572	C24···H(19)	2.065
O10···H(19)	3.366	C25···C27	2.408 (3)
O11···La1	2.507 (1)	C25···H(22)	2.050
O11···O1	3.396 (2)	C26···N13	2.442 (3)
O11···O2	2.810 (2)	C26···C30	3.021 (4)
O11···O2	2.771 (3)	C26···H(21)	2.050
O11···O3	3.483 (3)	C26···H(25)	2.937
O11···O4	3.384 (3)	C27···N12	3.575 (4)
O11···O8	2.940 (2)	C27···C25	2.408 (3)
O11···N5	3.021 (3)	C27···C28	2.478 (4)
O11···N9	3.351 (2)	C27···C29	3.581 (4)
O11···N9	3.542 (3)	C27···C30	2.518 (4)
O11···H(1)	3.261	C27···H(21)	3.285
N1···La1	2.728 (2)	C27···H(22)	2.056
N1···O1	3.296 (3)	C27···H(23)	2.755
N1···O2	2.970 (2)	C27···H(25)	2.859
N1···O4	3.110 (2)	C28···C27	2.478 (4)
N1···O5	2.942 (2)	C28···C29	2.139 (4)
N1···O10	3.037 (3)	C28···C30	2.198 (3)
N1···N2	2.214 (3)	C28···H(24)	3.072
N1···N9	3.320 (3)	C28···H(25)	3.140
N1···N10	3.087 (2)	C29···N13	2.189 (4)
N1···C3	2.247 (3)	C29···C27	3.581 (4)
N1···C4	3.579 (3)	C29···C28	2.139 (4)
N1···H(1)	2.029	C29···H(23)	3.077
N1···H(2)	2.093	C29···H(25)	2.098
N1···H(3)	3.184	C30···O6	3.361 (3)
N1···H(26)	3.024 (3)	C30···N12	2.253 (4)
N2···N1	2.214 (3)	C30···C26	3.021 (4)
N2···C2	2.180 (4)	C30···C27	2.518 (4)
N2···C5	2.436 (4)	C30···C28	2.198 (3)
N2···C9	2.433 (3)	C30···H(22)	2.749
N2···H(1)	2.071	C30···H(23)	3.131
N2···H(2)	3.119	C30···H(24)	2.078
N2···H(3)	2.113	H(1)···O1	3.547
N2···H(4)	2.614	H(1)···O2	2.372
N2···H(7)	2.607	H(1)···O3	3.258
N3···N4	2.211 (3)	H(1)···O4	3.387
N3···C6	2.425 (3)	H(1)···O11	3.261
N3···C8	2.442 (3)	H(1)···N1	2.029
N3···C11	2.180 (4)	H(1)···N2	2.071
N3···H(5)	2.596	H(1)···N9	2.844
N3···H(6)	2.626	H(1)···C2	3.088
N3···H(8)	2.063	H(1)···C3	3.139
N3···H(9)	3.119	H(1)···C4	2.754
N3···H(10)	2.107	H(1)···C9	2.838
N4···N3	2.211 (3)	H(2)···O5	3.168
N4···C7	3.585 (3)	H(2)···O10	2.831
N4···C12	2.240 (3)	H(2)···N1	2.093
N4···H(8)	2.028	H(2)···N2	3.119
N4···H(9)	2.084	H(2)···C1	3.081
N4···H(10)	3.177	H(2)···C3	2.064
N5···La1	2.682 (2)	H(3)···N1	3.184
N5···O1	3.248 (3)	H(3)···N2	2.113
N5···O7	3.158 (3)	H(3)···C1	3.146
N5···O8	3.480 (3)	H(3)···C2	2.084
N5···O10	3.103 (2)	H(3)···C4	2.864
N5···O11	3.021 (3)	H(3)···C5	2.984
N5···N6	2.216 (3)	H(4)···N2	2.614
N5···N8	3.572 (3)	H(4)···C3	2.810
N5···N11	3.592 (3)	H(4)···C4	2.054
N5···C15	2.255 (4)	H(4)···C6	2.056
N5···C16	3.583 (4)	H(4)···C7	3.278
N5···H(11)	2.025	H(4)···C9	3.287
N5···H(12)	2.090	H(5)···N3	2.596
N5···H(13)	3.192	H(5)···C4	3.276
N5···H(27)	2.987 (3)	H(5)···C5	2.052
N6···N5	2.216 (3)	H(5)···C7	2.049
N6···C14	2.182 (4)	H(5)···C8	3.287
N6···C17	2.440 (4)	H(5)···C10	2.785
N6···C21	2.431 (3)	H(6)···O7	2.822
N6···C22	3.448 (3)	H(6)···O9	3.311
N6···H(11)	2.066	H(6)···N3	2.626
N6···H(12)	3.120	H(6)···N11	3.443
N6···H(13)	2.114	H(6)···C4	3.281
N6···H(14)	2.615	H(6)···C6	3.288
N6···H(17)	2.607	H(6)···C7	2.058
N6···H(18)	3.402	H(6)···C9	2.053
N6···H(21)	3.306	H(6)···C12	2.811
N7···N8	2.210 (4)	H(7)···N2	2.607
N7···C17	3.453 (3)	H(7)···C1	2.718
N7···C18	2.454 (3)	H(7)···C4	2.053
N7···C20	2.442 (4)	H(7)···C5	3.286
N7···C23	2.176 (4)	H(7)···C7	3.274
N7···H(14)	3.333	H(7)···C8	2.051
N7···H(15)	2.636	H(8)···N3	2.063
N7···H(16)	2.612	H(8)···N4	2.028
N7···H(18)	2.068	H(8)···C6	2.901
N7···H(19)	3.114	H(8)···C7	2.767
N7···H(20)	2.104	H(8)···C11	3.079
N8···O10	2.725 (3)	H(8)···C12	3.126
N8···N5	3.572 (3)	H(9)···O5	2.917
N8···N7	2.210 (4)	H(9)···O6	3.425
N8···C13	3.405 (2)	H(9)···N3	3.119
N8···C19	3.595 (4)	H(9)···N4	2.084
N8···C24	2.236 (4)	H(9)···N10	3.503
N8···H(18)	2.029	H(9)···C2	2.981
N8···H(19)	2.082	H(9)···C3	3.442
N8···H(20)	3.174	H(9)···C10	3.073
N8···H(26)	2.987 (3)	H(9)···C12	2.069
N9···La1	3.076 (2)	H(9)···C30	3.366
N9···O11	3.351 (2)	H(10)···O5	2.451
N9···O11	3.542 (3)	H(10)···O7	2.966
N9···N1	3.320 (3)	H(10)···O9	3.578
N9···C1	3.317 (3)	H(10)···N3	2.107
N9···H(1)	2.844	H(10)···N4	3.177
N9···H(12)	3.558	H(10)···N10	3.536
N9···H(14)	2.884	H(10)···N11	3.328
N10···La1	3.057 (2)	H(10)···C7	2.841
N10···O8	3.364 (3)	H(10)···C8	2.983
N10···N1	3.087 (2)	H(10)···C10	3.134
N10···C20	3.490 (2)	H(10)···C11	2.087
N10···H(16)	2.666	H(10)···C25	3.243
N10···H(20)	3.152	H(10)···C26	3.249
N10···H(22)	3.429	H(11)···O7	2.602
N10···H(25)	3.442	H(11)···O8	3.112
N11···La1	3.056 (2)	H(11)···O8	3.367
N11···O5	3.027 (3)	H(11)···O9	3.231
N11···N5	3.592 (3)	H(11)···O9	2.955
N11···C13	3.431 (4)	H(11)···N5	2.025
N11···H(11)	2.734	H(11)···N6	2.066
N11···H(11)	3.575	H(11)···N11	2.734
N11···H(17)	2.951	H(11)···N11	3.575
N12···N13	2.213 (3)	H(11)···C14	3.081
N12···C27	3.575 (4)	H(11)···C15	3.136
N12···C30	2.253 (4)	H(11)···C16	2.759
N12···H(23)	2.008	H(11)···C21	2.830
N12···H(24)	2.101	H(11)···C22	3.396
N12···H(25)	3.192	H(12)···O1	2.550
N13···N12	2.213 (3)	H(12)···N5	2.090
N13···C26	2.442 (3)	H(12)···N6	3.120
N13···C29	2.189 (4)	H(12)···N9	3.558
N13···H(22)	2.620	H(12)···C13	3.074
N13···H(23)	2.066	H(12)···C14	3.407
N13···H(24)	3.127	H(12)···C15	2.073
N13···H(25)	2.113	H(12)···C15	3.213
C1···O2	2.939 (3)	H(12)···C23	3.219
C1···O4	3.471 (2)	H(13)···O1	2.970
C1···N9	3.317 (3)	H(13)···O10	3.572
C1···C2	2.148 (4)	H(13)···N5	3.192
C1···C3	2.205 (3)	H(13)···N6	2.114
C1···C4	2.474 (3)	H(13)···C13	3.145
C1···C9	2.973 (4)	H(13)···C14	2.094
C1···H(2)	3.081	H(13)···C14	3.490
C1···H(3)	3.146	H(13)···C16	2.854
C1···H(7)	2.718	H(13)···C17	2.958
C2···O5	3.245 (2)	H(14)···O1	2.604
C2···O10	3.201 (4)	H(14)···O3	2.499
C2···N2	2.180 (4)	H(14)···N6	2.615
C2···C1	2.148 (4)	H(14)···N7	3.333
C2···C4	3.574 (4)	H(14)···N9	2.884
C2···H(1)	3.088	H(14)···C15	2.762
C2···H(3)	2.084	H(14)···C16	2.053
C2···H(26)	3.050 (4)	H(14)···C18	2.057
C3···N1	2.247 (3)	H(14)···C19	3.281
C3···C1	2.205 (3)	H(14)···C19	3.495
C3···C4	2.522 (4)	H(14)···C21	3.281
C3···C5	3.049 (4)	H(15)···O3	2.784
C3···H(1)	3.139	H(15)···N7	2.636
C3···H(2)	2.064	H(15)···C16	3.288
C3···H(4)	2.810	H(15)···C17	2.059
C4···N1	3.579 (3)	H(15)···C19	2.053
C4···C1	2.474 (3)	H(15)···C19	3.534
C4···C2	3.574 (4)	H(15)···C20	3.285
C4···C3	2.522 (4)	H(15)···C20	3.444
C4···C6	2.397 (4)	H(15)···C21	3.532
C4···C7	2.760 (4)	H(15)···C22	2.663
C4···C8	2.402 (3)	H(16)···O4	2.585
C4···H(1)	2.754	H(16)···O5	3.487
C4···H(3)	2.864	H(16)···O6	2.683
C4···H(4)	2.054	H(16)···O8	3.563
C4···H(5)	3.276	H(16)···N7	2.612
C4···H(6)	3.281	H(16)···N10	2.666
C4···H(7)	2.053	H(16)···C16	3.272
C5···N2	2.436 (4)	H(16)···C18	3.283
C5···C3	3.049 (4)	H(16)···C19	2.056
C5···C7	2.398 (4)	H(16)···C21	2.049
C5···C8	2.787 (3)	H(16)···C24	2.609
C5···C9	2.413 (3)	H(17)···O8	2.462
C5···H(3)	2.984	H(17)···O9	2.856
C5···H(5)	2.052	H(17)···N6	2.607
C5···H(7)	3.286	H(17)···N11	2.951
C6···N3	2.425 (3)	H(17)···C13	2.739
C6···C4	2.397 (4)	H(17)···C16	2.051
C6···C8	2.413 (3)	H(17)···C17	3.283
C6···C9	2.777 (4)	H(17)···C19	3.290
C6···C10	3.013 (3)	H(17)···C20	2.055
C6···H(4)	2.056	H(18)···O7	3.422
C6···H(6)	3.288	H(18)···N6	3.402
C6···H(8)	2.901	H(18)···N7	2.068
C7···N4	3.585 (3)	H(18)···N8	2.029
C7···C4	2.760 (4)	H(18)···C13	3.171
C7···C5	2.398 (4)	H(18)···C16	3.380
C7···C9	2.395 (4)	H(18)···C18	2.774
C7···C10	2.483 (3)	H(18)···C19	2.791
C7···C11	3.571 (4)	H(18)···C23	3.079
C7···C12	2.508 (4)	H(18)···C24	3.127
C7···H(4)	3.278	H(19)···O10	3.366
C7···H(5)	2.049	H(19)···N7	3.114
C7···H(6)	2.058	H(19)···N8	2.082
C7···H(7)	3.274	H(19)···C22	3.074
C7···H(8)	2.767	H(19)···C24	2.065
C7···H(10)	2.841	H(20)···O4	2.944
C8···N3	2.442 (3)	H(20)···O6	2.641
C8···C4	2.402 (3)	H(20)···N7	2.104
C8···C5	2.787 (3)	H(20)···N8	3.174
C8···C6	2.413 (3)	H(20)···N10	3.152
C8···C12	3.043 (4)	H(20)···C19	2.828
C8···H(5)	3.287	H(20)···C20	2.772
C8···H(7)	2.051	H(20)···C22	3.134
C8···H(10)	2.983	H(20)···C23	2.083
C9···N2	2.433 (3)	H(21)···O9	3.343
C9···C1	2.973 (4)	H(21)···N6	3.306
C9···C5	2.413 (3)	H(21)···C16	3.135
C9···C6	2.777 (4)	H(21)···C21	2.894
C9···C7	2.395 (4)	H(21)···C26	2.050
C9···H(1)	2.838	H(21)···C27	3.285
C9···H(4)	3.287	H(22)···O5	3.529
C9···H(6)	2.053	H(22)···O6	2.795
C10···C6	3.013 (3)	H(22)···N10	3.429
C10···C7	2.483 (3)	H(22)···N13	2.620
C10···C11	2.140 (4)	H(22)···C20	3.463
C10···C12	2.193 (3)	H(22)···C25	2.050
C10···H(5)	2.785	H(22)···C27	2.056
C10···H(9)	3.073	H(22)···C30	2.749
C10···H(10)	3.134	H(23)···N12	2.008
C11···O5	3.332 (3)	H(23)···N13	2.066
C11···N3	2.180 (4)	H(23)···C27	2.755
C11···C2	3.596 (3)	H(23)···C29	3.077
C11···C7	3.571 (4)	H(23)···C30	3.131
C11···C10	2.140 (4)	H(24)···N12	2.101
C11···H(2)	2.983	H(24)···N13	3.127
C11···H(8)	3.079	H(24)···C28	3.072
C11···H(10)	2.087	H(24)···C30	2.078
C11···H(25)	3.559	H(25)···O6	2.404
C12···O5	3.109 (3)	H(25)···N10	3.442
C12···N4	2.240 (3)	H(25)···N12	3.192
C12···C7	2.508 (4)	H(25)···N13	2.113
C12···C8	3.043 (4)	H(25)···C26	2.937
C12···C10	2.193 (3)	H(25)···C27	2.859
C12···C26	3.519 (3)	H(25)···C28	3.140
C12···C27	3.572 (4)	H(25)···C29	2.098
C12···H(2)	3.527	H(26)···La1	3.080 (1)
C12···H(6)	2.811	H(26)···O1	3.171 (2)
C12···H(8)	3.126	H(26)···N1	3.024 (3)
C12···H(9)	2.069	H(26)···N8	2.987 (3)
C13···O7	3.114 (3)	H(26)···C2	3.050 (4)
C13···O9	3.402 (2)	H(26)···C23	3.372 (4)
C13···N8	3.405 (2)	H(27)···La1	3.238 (1)
C13···N11	3.431 (4)	H(27)···O2	3.404 (2)
C13···C14	2.141 (3)	H(27)···O2	3.100 (3)
C13···C15	2.203 (4)	H(27)···O8	3.555 (2)
C13···C16	2.479 (4)	H(27)···N5	2.987 (3)
C13···C21	2.982 (4)	H(27)···C14	3.457 (4)
C13···C22	3.397 (3)

N9—O1—La1	97.0 (1)	C9—C8—C7	119.3 (2)
N9—O2—La1	98.0 (1)	H(6)—C8—C7	120.3
N10—O4—La1	96.3 (2)	H(7)—C9—C4	119.9
N10—O5—La1	97.0 (1)	H(7)—C9—C8	120.1
N11—O7—La1	95.3 (1)	C4—C9—C8	120.0 (2)
N11—O8—La1	98.3 (1)	H(8)—C10—N3	124.1
H(26)—O10—La1	127.94 (16)	H(8)—C10—N4	124.3
H(27)—O11—La1	134.2 (2)	N3—C10—N4	111.6 (2)
H(28)—O12—H(29)	104.2 (3)	C12—C11—H(9)	125.1
C1—N1—C2	105.3 (2)	C12—C11—N4	110.4 (2)
C1—N1—La1	129.6 (1)	H(9)—C11—N4	124.5
C2—N1—La1	124.8 (2)	H(10)—C12—N3	126.9
C1—N2—C3	106.9 (2)	H(10)—C12—C11	127.1
C1—N2—C4	125.1 (2)	N3—C12—C11	106.0 (2)
C3—N2—C4	127.9 (2)	H(11)—C13—N5	124.1
C7—N3—C10	126.3 (2)	H(11)—C13—N6	124.1
C7—N3—C12	126.9 (2)	N5—C13—N6	111.9 (2)
C10—N3—C12	106.7 (2)	C15—C14—H(12)	124.9
C10—N4—C11	105.3 (2)	C15—C14—N5	110.6 (2)
C13—N5—C14	105.1 (2)	H(12)—C14—N5	124.4
C13—N5—La1	128.1 (2)	H(13)—C15—N6	127.2
C14—N5—La1	126.0 (2)	H(13)—C15—C14	127.3
C13—N6—C15	107.0 (2)	N6—C15—C14	105.5 (3)
C13—N6—C16	125.7 (2)	C17—C16—C21	120.3 (2)
C15—N6—C16	127.2 (2)	C17—C16—N6	120.1 (2)
C19—N7—C22	126.9 (2)	C21—C16—N6	119.6 (2)
C19—N7—C24	126.2 (2)	C18—C17—H(14)	120.1
C22—N7—C24	106.8 (2)	C18—C17—C16	120.1 (2)
C22—N8—C23	105.3 (3)	H(14)—C17—C16	119.8
O1—N9—O2	116.8 (2)	C19—C18—H(15)	120.0
O1—N9—O3	122.0 (2)	C19—C18—C17	119.7 (2)
O2—N9—O3	121.2 (2)	H(15)—C18—C17	120.3
O4—N10—O5	117.4 (2)	C20—C19—N7	119.4 (2)
O4—N10—O6	120.8 (2)	C20—C19—C18	119.9 (2)
O5—N10—O6	121.9 (2)	N7—C19—C18	120.8 (2)
O7—N11—O8	117.9 (2)	C21—C20—H(16)	119.8
O7—N11—O9	121.6 (2)	C21—C20—C19	120.4 (2)
O8—N11—O9	120.5 (2)	H(16)—C20—C19	119.8
C28—N12—C29	105.4 (2)	H(17)—C21—C16	120.0
C27—N13—C28	125.7 (2)	H(17)—C21—C20	120.4
C27—N13—C30	127.8 (2)	C16—C21—C20	119.6 (2)
C28—N13—C30	106.5 (2)	H(18)—C22—N7	124.5
H(1)—C1—N1	124.2	H(18)—C22—N8	124.1
H(1)—C1—N2	124.4	N7—C22—N8	111.3 (2)
N1—C1—N2	111.4 (2)	C24—C23—H(19)	125.0
C3—C2—H(2)	124.9	C24—C23—N8	110.5 (2)
C3—C2—N1	110.5 (2)	H(19)—C23—N8	124.5
H(2)—C2—N1	124.6	H(20)—C24—N7	126.9
H(3)—C3—N2	127.0	H(20)—C24—C23	127.0
H(3)—C3—C2	127.0	N7—C24—C23	106.1 (2)
N2—C3—C2	105.9 (2)	C26—C25—H(21)	120.1
C5—C4—C9	120.5 (2)	C27—C26—H(22)	119.7
C5—C4—N2	119.9 (2)	C27—C26—C25	120.2 (2)
C9—C4—N2	119.6 (2)	H(22)—C26—C25	120.1
C6—C5—H(4)	120.5	N13—C27—C26	120.2 (2)
C6—C5—C4	119.5 (2)	H(23)—C28—N12	123.7
H(4)—C5—C4	120.0	H(23)—C28—N13	123.9
C7—C6—H(5)	119.9	N12—C28—N13	112.4 (2)
C7—C6—C5	119.9 (2)	C30—C29—H(24)	124.9
H(5)—C6—C5	120.1	C30—C29—N12	109.9 (2)
C8—C7—N3	120.1 (2)	H(24)—C29—N12	125.2
C8—C7—C6	120.8 (2)	H(25)—C30—N13	127.1
N3—C7—C6	119.2 (2)	H(25)—C30—C29	127.2
C9—C8—H(6)	120.4	N13—C30—C29	105.7 (2)

La1—O1—N9—O2	0.4 (2)	C29—N12—C28—H(23)	180.0
La1—O1—N9—O3	−179.5 (2)	C28—N12—C29—C30	−0.3 (3)
La1—O2—N9—O1	−0.5 (2)	C28—N12—C29—H(24)	179.5
La1—O2—N9—O3	179.5 (2)	C28—N13—C27—C26	−151.0 (2)
La1—O4—N10—O5	9.6 (2)	C30—N13—C27—C26	27.5 (3)
La1—O4—N10—O6	−170.9 (1)	C27—N13—C28—N12	178.1 (2)
La1—O5—N10—O4	−9.7 (2)	C27—N13—C28—H(23)	−1.3
La1—O5—N10—O6	170.8 (1)	C30—N13—C28—N12	−0.6 (3)
La1—O7—N11—O8	−4.7 (3)	C30—N13—C28—H(23)	180.0
La1—O7—N11—O9	176.8 (3)	C27—N13—C30—C29	−178.3 (2)
La1—O8—N11—O7	4.8 (3)	C27—N13—C30—H(25)	1.5
La1—O8—N11—O9	−176.6 (3)	C28—N13—C30—C29	0.4 (3)
La1—N1—C1—N2	−174.7 (2)	C28—N13—C30—H(25)	−179.7
La1—N1—C1—H(1)	5.1	N1—C2—C3—N2	0.1 (3)
C2—N1—C1—N2	−0.3 (3)	N1—C2—C3—H(3)	−179.6
C2—N1—C1—H(1)	179.5	H(2)—C2—C3—N2	−179.7
La1—N1—C2—C3	174.8 (2)	H(2)—C2—C3—H(3)	0.6
La1—N1—C2—H(2)	−5.4	N2—C4—C5—C6	−179.3 (2)
C1—N1—C2—C3	0.1 (3)	N2—C4—C5—H(4)	1.0
C1—N1—C2—H(2)	180.0	C9—C4—C5—C6	0.4 (3)
C3—N2—C1—N1	0.4 (3)	C9—C4—C5—H(4)	−179.4
C3—N2—C1—H(1)	−179.4	N2—C4—C9—C8	179.9 (2)
C4—N2—C1—N1	−177.9 (2)	N2—C4—C9—H(7)	−0.3
C4—N2—C1—H(1)	2.3	C5—C4—C9—C8	0.3 (3)
C1—N2—C3—C2	−0.3 (3)	C5—C4—C9—H(7)	−179.9
C1—N2—C3—H(3)	179.4	C4—C5—C6—C7	−0.1 (3)
C4—N2—C3—C2	177.9 (2)	C4—C5—C6—H(5)	179.5
C4—N2—C3—H(3)	−2.4	H(4)—C5—C6—C7	179.7
C1—N2—C4—C5	−146.8 (2)	H(4)—C5—C6—H(5)	−0.8
C1—N2—C4—C9	33.5 (3)	C5—C6—C7—N3	179.5 (2)
C3—N2—C4—C5	35.3 (3)	C5—C6—C7—C8	−0.9 (3)
C3—N2—C4—C9	−144.4 (2)	H(5)—C6—C7—N3	−0.1
C10—N3—C7—C6	−40.3 (3)	H(5)—C6—C7—C8	179.5
C10—N3—C7—C8	140.1 (2)	N3—C7—C8—C9	−178.8 (2)
C12—N3—C7—C6	142.3 (2)	N3—C7—C8—H(6)	1.2
C12—N3—C7—C8	−37.3 (3)	C6—C7—C8—C9	1.6 (3)
C7—N3—C10—N4	−178.6 (2)	C6—C7—C8—H(6)	−178.5
C7—N3—C10—H(8)	1.4	C7—C8—C9—C4	−1.3 (3)
C12—N3—C10—N4	−0.8 (3)	C7—C8—C9—H(7)	179.0
C12—N3—C10—H(8)	179.2	H(6)—C8—C9—C4	178.8
C7—N3—C12—C11	178.6 (2)	H(6)—C8—C9—H(7)	−1.0
C7—N3—C12—H(10)	−1.2	N4—C11—C12—N3	−0.6 (3)
C10—N3—C12—C11	0.8 (3)	N4—C11—C12—H(10)	179.2
C10—N3—C12—H(10)	−178.9	H(9)—C11—C12—N3	179.4
C11—N4—C10—N3	0.4 (3)	H(9)—C11—C12—H(10)	−0.8
C11—N4—C10—H(8)	−179.6	N5—C14—C15—N6	−1.1 (3)
C10—N4—C11—C12	0.1 (3)	N5—C14—C15—H(13)	179.3
C10—N4—C11—H(9)	−179.9	H(12)—C14—C15—N6	179.4
La1—N5—C13—N6	168.9 (1)	H(12)—C14—C15—H(13)	−0.2
La1—N5—C13—H(11)	−11.0	N6—C16—C17—C18	−179.5 (2)
C14—N5—C13—N6	−0.7 (2)	N6—C16—C17—H(14)	0.9
C14—N5—C13—H(11)	179.4	C21—C16—C17—C18	−1.9 (3)
La1—N5—C14—C15	−168.7 (1)	C21—C16—C17—H(14)	178.5
La1—N5—C14—H(12)	10.7	N6—C16—C21—C20	178.4 (2)
C13—N5—C14—C15	1.1 (2)	N6—C16—C21—H(17)	−2.1
C13—N5—C14—H(12)	−179.4	C17—C16—C21—C20	0.8 (3)
C15—N6—C13—N5	0.1 (2)	C17—C16—C21—H(17)	−179.7
C15—N6—C13—H(11)	179.9	C16—C17—C18—C19	1.3 (3)
C16—N6—C13—N5	−176.2 (1)	C16—C17—C18—H(15)	−179.2
C16—N6—C13—H(11)	3.7	H(14)—C17—C18—C19	−179.1
C13—N6—C15—C14	0.6 (2)	H(14)—C17—C18—H(15)	0.4
C13—N6—C15—H(13)	−179.8	C17—C18—C19—N7	−179.2 (2)
C16—N6—C15—C14	176.8 (2)	C17—C18—C19—C20	0.3 (3)
C16—N6—C15—H(13)	−3.6	H(15)—C18—C19—N7	1.3
C13—N6—C16—C17	144.1 (2)	H(15)—C18—C19—C20	−179.2
C13—N6—C16—C21	−33.6 (3)	N7—C19—C20—C21	178.1 (2)
C15—N6—C16—C17	−31.4 (3)	N7—C19—C20—H(16)	−2.1
C15—N6—C16—C21	150.9 (2)	C18—C19—C20—C21	−1.3 (3)
C22—N7—C19—C18	−0.5 (3)	C18—C19—C20—H(16)	178.4
C22—N7—C19—C20	−180.0 (2)	C19—C20—C21—C16	0.8 (3)
C24—N7—C19—C18	175.9 (2)	C19—C20—C21—H(17)	−178.7
C24—N7—C19—C20	−3.6 (3)	H(16)—C20—C21—C16	−178.9
C19—N7—C22—N8	177.4 (2)	H(16)—C20—C21—H(17)	1.6
C19—N7—C22—H(18)	−3.0	N8—C23—C24—N7	−0.2 (3)
C24—N7—C22—N8	0.5 (2)	N8—C23—C24—H(20)	179.9
C24—N7—C22—H(18)	−180.0	H(19)—C23—C24—N7	−179.7
C19—N7—C24—C23	−177.1 (2)	H(19)—C23—C24—H(20)	0.3
C19—N7—C24—H(20)	2.9	H(21)—C25—C26—C27	−179.3
C22—N7—C24—C23	−0.2 (3)	H(21)—C25—C26—H(22)	1.1
C22—N7—C24—H(20)	179.8	C25—C26—C27—N13	178.5 (2)
C23—N8—C22—N7	−0.6 (2)	H(22)—C26—C27—N13	−1.8
C23—N8—C22—H(18)	179.8	N12—C29—C30—N13	−0.1 (3)
C22—N8—C23—C24	0.5 (3)	N12—C29—C30—H(25)	−180.0
C22—N8—C23—H(19)	−180.0	H(24)—C29—C30—N13	−179.8
C29—N12—C28—N13	0.6 (3)	H(24)—C29—C30—H(25)	0.3

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