Download citation
Download citation
link to html
The crystal structure of the title novel heteronuclear coordination compound, tris(μ-α-methyl­acryl­ato-1:2κ2O:O′)­tris(μ-α-methyl­acryl­ato-2:3κ2O:O′)(2,2′-bipyridine-1κ2N,N′)(2,2′-bipyridine-3κ2N,N′)(nitro-3κ2O,O′)­dizinc(II)­lanthanum(III), [LaZn2(C4H5O2)6(NO3)(C10H8N2)2], is built up of discrete mol­ecules of the trinuclear Zn–La–Zn complex, with the central La atom bridged by three bidentate α-methyl­acryl­ate groups to each of the two Zn atoms. The La atom has a distorted square-antiprismatic coordination, formed by the six O atoms of the bridging methyl­acryl­ate groups and two O atoms of the bidentate chelating nitro group. Each of the two Zn atoms has a trigonal bipyramidal coordination, formed by three O atoms of the bridging methyl­acryl­ates and two N atoms of the chelating 2,2′-bi­pyridine ligands.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804013613/ya6208sup1.cif
Contains datablocks I, lazn

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804013613/ya6208Isup2.hkl
Contains datablock I

CCDC reference: 245141

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • R factor = 0.033
  • wR factor = 0.101
  • Data-to-parameter ratio = 13.6

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT241_ALERT_2_A Check High U(eq) as Compared to Neighbors .... O9 PLAT241_ALERT_2_A Check High U(eq) as Compared to Neighbors .... O15
Alert level B PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low ....... 0.94 PLAT241_ALERT_2_B Check High U(eq) as Compared to Neighbors .... O7 PLAT242_ALERT_2_B Check Low U(eq) as Compared to Neighbors .... La PLAT242_ALERT_2_B Check Low U(eq) as Compared to Neighbors .... C72 PLAT413_ALERT_2_B Short Inter XH3 .. XHn H24C .. H74B .. 1.98 Ang.
Alert level C REFLT03_ALERT_3_C Reflection count < 95% complete From the CIF: _diffrn_reflns_theta_max 25.20 From the CIF: _diffrn_reflns_theta_full 0.00 From the CIF: _reflns_number_total 8229 TEST2: Reflns within _diffrn_reflns_theta_max Count of symmetry unique reflns 8696 Completeness (_total/calc) 94.63% PLAT022_ALERT_3_C Ratio Unique / Expected Reflections too Low .... 0.95 PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ? PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.85 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for O9 - C71 .. 5.16 su PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... O2 PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... O3 PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... O4 PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... O5 PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... O6 PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... O11 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... Zn2 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C21 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C22 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C32 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C42 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C51 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C52 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C62 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C71 PLAT380_ALERT_4_C Incorrectly Oriented X(sp2)-Methyl Moiety ...... C24 PLAT380_ALERT_4_C Incorrectly Oriented X(sp2)-Methyl Moiety ...... C64
2 ALERT level A = In general: serious problem 5 ALERT level B = Potentially serious problem 22 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 23 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 2 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: PROCESS-AUTO (Rigaku Corporation, 1998); cell refinement: PROCESS-AUTO; data reduction: CrystalStructure (Rigaku/MSC and Rigaku Corporation, 2002); program(s) used to solve structure: SIR92 (Altomare et al., 1993); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).

tris-(µ-α-methylacrylato-1:2κ2O:O')tris-(µ-α-methylacrylato- 2:3κ2O:O')(2,2'-bipyridine-1κ2N,N')(2,2'-bipyridine-3κ2N,N')(nitro- 3κ2O,O')dizinc(II)lanthanum(III) top
Crystal data top
[LaZn2(C4H5O2)6(NO3)(C10H8N2)2]Z = 2
Mr = 1154.51F(000) = 1164
Triclinic, P1Dx = 1.590 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 11.3171 (3) ÅCell parameters from 8912 reflections
b = 13.9042 (4) Åθ = 1.3–27.5°
c = 16.4290 (5) ŵ = 1.93 mm1
α = 104.360 (1)°T = 293 K
β = 98.795 (1)°Chunk, colourless
γ = 100.214 (2)°0.30 × 0.20 × 0.20 mm
V = 2411.6 (1) Å3
Data collection top
Rigaku R-AXIS RAPID
diffractometer
8229 independent reflections
Radiation source: fine-focus sealed tube6983 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.020
Detector resolution: 10.00 pixels mm-1θmax = 25.2°, θmin = 1.3°
ω scansh = 1213
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)
k = 1616
Tmin = 0.599, Tmax = 0.677l = 1919
13497 measured reflections
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)] = 0.033Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.101H-atom parameters constrained
S = 1.03 w = 1/[σ2(Fo2) + (0.0642P)2 + 1.7743P]
where P = (Fo2 + 2Fc2)/3
8229 reflections(Δ/σ)max = 0.001
604 parametersΔρmax = 1.01 e Å3
0 restraintsΔρmin = 0.95 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
La0.85552 (2)0.739850 (17)0.744060 (14)0.03812 (9)
Zn10.78707 (4)0.92879 (4)0.59763 (3)0.04447 (13)
Zn20.78690 (4)0.59897 (4)0.91906 (3)0.04135 (12)
O11.0866 (3)0.8111 (3)0.7420 (2)0.0697 (10)
O21.0386 (3)0.6495 (3)0.7247 (3)0.0721 (10)
O30.8698 (3)0.7244 (3)0.5951 (2)0.0741 (11)
O40.8761 (3)0.9217 (2)0.7646 (3)0.0699 (10)
O50.9752 (3)0.7664 (3)0.8882 (2)0.0711 (10)
O60.6547 (3)0.7485 (3)0.6675 (2)0.0694 (9)
O70.7084 (3)0.7343 (3)0.8433 (2)0.0787 (11)
O81.2261 (4)0.7231 (5)0.7299 (4)0.1160 (19)
O90.7771 (4)0.5567 (3)0.7117 (4)0.115 (2)
O100.8810 (3)0.8425 (3)0.5271 (2)0.0621 (8)
O110.9320 (3)1.0223 (3)0.6865 (2)0.0649 (9)
O120.6376 (3)0.8116 (2)0.5561 (2)0.0592 (8)
O130.6988 (3)0.7129 (2)0.9690 (2)0.0570 (8)
O140.9567 (3)0.6766 (2)0.98068 (19)0.0505 (7)
O150.8433 (4)0.5046 (4)0.8259 (3)0.1102 (18)
N10.6627 (3)1.0220 (3)0.6453 (2)0.0521 (9)
N20.7650 (3)1.0143 (3)0.5100 (2)0.0462 (8)
N31.1190 (4)0.7269 (4)0.7315 (3)0.0720 (13)
N40.6045 (3)0.4993 (3)0.8663 (2)0.0447 (8)
N50.7680 (3)0.5097 (3)1.0042 (2)0.0449 (8)
C10.6143 (5)1.0209 (4)0.7144 (3)0.0673 (13)
H10.64130.98330.75010.081*
C20.5258 (6)1.0737 (5)0.7345 (4)0.0825 (17)
H20.49451.07300.78350.099*
C30.4850 (5)1.1267 (5)0.6813 (4)0.0816 (17)
H30.42421.16200.69320.098*
C40.5334 (5)1.1284 (4)0.6100 (4)0.0668 (13)
H40.50591.16480.57330.080*
C50.6237 (4)1.0753 (3)0.5931 (3)0.0486 (10)
C60.6839 (4)1.0740 (3)0.5195 (3)0.0464 (9)
C70.6615 (5)1.1314 (4)0.4633 (4)0.0645 (13)
H70.60351.17110.46930.077*
C80.7258 (5)1.1291 (4)0.3987 (4)0.0744 (15)
H80.71191.16730.36050.089*
C90.8104 (5)1.0704 (4)0.3909 (4)0.0710 (15)
H90.85601.06910.34830.085*
C100.8268 (4)1.0133 (4)0.4469 (3)0.0570 (11)
H100.88330.97220.44080.068*
C110.5686 (4)0.4379 (3)0.9132 (3)0.0425 (9)
C120.4533 (4)0.3721 (3)0.8879 (3)0.0549 (11)
H120.42790.33030.92120.066*
C130.3782 (4)0.3694 (4)0.8143 (3)0.0625 (13)
H130.30100.32560.79720.075*
C140.4150 (4)0.4309 (4)0.7648 (3)0.0627 (12)
H140.36480.42890.71370.075*
C150.5293 (4)0.4954 (4)0.7939 (3)0.0560 (11)
H150.55530.53830.76170.067*
C160.6588 (4)0.4449 (3)0.9909 (3)0.0428 (9)
C170.6357 (4)0.3881 (3)1.0469 (3)0.0551 (11)
H170.55940.34461.03800.066*
C180.7259 (5)0.3961 (4)1.1161 (3)0.0645 (13)
H180.71130.35831.15440.077*
C190.8375 (5)0.4603 (4)1.1277 (3)0.0640 (13)
H190.90040.46591.17350.077*
C200.8552 (4)0.5163 (4)1.0709 (3)0.0549 (11)
H200.93090.56051.07930.066*
C210.8807 (4)0.7540 (4)0.5310 (3)0.0495 (10)
C220.8902 (5)0.6776 (4)0.4511 (3)0.0604 (12)
C230.8926 (8)0.5814 (5)0.4521 (6)0.121 (3)
H23A0.89920.53410.40280.146*
H23B0.88770.56230.50200.146*
C240.8973 (7)0.7148 (6)0.3769 (4)0.099 (2)
H24A0.89390.78540.39130.148*
H24B0.82960.67630.33080.148*
H24C0.97300.70750.35920.148*
C310.6062 (4)0.7457 (3)0.5933 (3)0.0460 (10)
C320.5012 (4)0.6583 (3)0.5462 (3)0.0550 (11)
C330.4867 (6)0.6230 (4)0.4601 (4)0.0831 (17)
H33A0.42400.56710.42930.100*
H33B0.53950.65470.43160.100*
C340.4228 (6)0.6134 (5)0.5965 (5)0.098 (2)
H34A0.44970.65080.65600.148*
H34B0.42790.54370.58930.148*
H34C0.33940.61630.57700.148*
C410.9434 (4)0.9997 (3)0.7561 (3)0.0495 (10)
C421.0355 (4)1.0687 (3)0.8306 (3)0.0498 (10)
C431.0453 (6)1.0495 (4)0.9069 (3)0.0741 (15)
H43A0.99420.99260.91290.089*
H43B1.10331.09300.95380.089*
C441.1119 (6)1.1588 (5)0.8175 (4)0.0885 (19)
H44A1.09131.15820.75850.133*
H44B1.19701.15740.83190.133*
H44C1.09741.21950.85360.133*
C510.6753 (4)0.7563 (3)0.9128 (3)0.0480 (10)
C520.5982 (4)0.8339 (4)0.9289 (3)0.0595 (12)
C530.5349 (8)0.8545 (6)0.8601 (5)0.119 (3)
H53A0.48330.89960.86840.143*
H53B0.54330.82350.80490.143*
C540.5901 (5)0.8785 (4)1.0156 (4)0.0751 (15)
H54A0.64220.85391.05360.113*
H54B0.50680.86041.02190.113*
H54C0.61580.95131.02940.113*
C611.0164 (4)0.7417 (3)0.9529 (3)0.0443 (9)
C621.1432 (4)0.7944 (4)1.0019 (3)0.0550 (11)
C631.2125 (5)0.8608 (5)0.9705 (5)0.097 (2)
H63A1.29250.89290.99940.116*
H63B1.18000.87420.92010.116*
C641.1869 (5)0.7698 (5)1.0793 (4)0.0788 (16)
H64A1.12340.72141.08960.118*
H64B1.20930.83061.12670.118*
H64C1.25730.74111.07330.118*
C710.8137 (5)0.4957 (4)0.7439 (4)0.0714 (16)
C720.8250 (5)0.3975 (4)0.6912 (3)0.0601 (12)
C730.8243 (6)0.3842 (6)0.6080 (4)0.099 (2)
H73A0.81660.43710.58380.118*
H73B0.83150.32200.57410.118*
C740.8383 (7)0.3134 (6)0.7288 (5)0.114 (3)
H74A0.83640.33440.78880.172*
H74B0.91500.29530.72230.172*
H74C0.77210.25550.70010.172*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
La0.03886 (13)0.04270 (14)0.03916 (14)0.00929 (9)0.00836 (9)0.02279 (10)
Zn10.0445 (3)0.0491 (3)0.0431 (3)0.0116 (2)0.0026 (2)0.0221 (2)
Zn20.0382 (2)0.0447 (3)0.0416 (3)0.00247 (19)0.00765 (19)0.0181 (2)
O10.0557 (19)0.086 (3)0.087 (3)0.0146 (18)0.0246 (18)0.055 (2)
O20.069 (2)0.080 (3)0.097 (3)0.036 (2)0.034 (2)0.056 (2)
O30.085 (3)0.114 (3)0.053 (2)0.049 (2)0.0294 (19)0.049 (2)
O40.0551 (19)0.0416 (18)0.107 (3)0.0039 (15)0.0150 (19)0.0158 (18)
O50.0582 (19)0.099 (3)0.057 (2)0.0015 (18)0.0017 (16)0.044 (2)
O60.0500 (18)0.103 (3)0.055 (2)0.0189 (18)0.0010 (16)0.0268 (19)
O70.060 (2)0.115 (3)0.058 (2)0.014 (2)0.0246 (17)0.017 (2)
O80.063 (2)0.197 (5)0.160 (5)0.066 (3)0.060 (3)0.130 (4)
O90.072 (3)0.044 (2)0.236 (6)0.012 (2)0.052 (3)0.041 (3)
O100.064 (2)0.062 (2)0.070 (2)0.0225 (16)0.0242 (17)0.0258 (17)
O110.061 (2)0.071 (2)0.056 (2)0.0131 (17)0.0073 (16)0.0178 (17)
O120.0499 (17)0.0532 (19)0.075 (2)0.0085 (14)0.0004 (16)0.0290 (17)
O130.0585 (19)0.0495 (18)0.064 (2)0.0120 (15)0.0077 (15)0.0208 (16)
O140.0425 (15)0.0570 (18)0.0494 (17)0.0035 (13)0.0039 (13)0.0239 (14)
O150.055 (2)0.158 (5)0.076 (3)0.009 (2)0.012 (2)0.031 (3)
N10.051 (2)0.055 (2)0.049 (2)0.0112 (17)0.0062 (17)0.0160 (17)
N20.0420 (18)0.048 (2)0.051 (2)0.0085 (15)0.0027 (15)0.0244 (16)
N30.060 (3)0.119 (4)0.076 (3)0.043 (3)0.032 (2)0.070 (3)
N40.0406 (18)0.047 (2)0.046 (2)0.0031 (15)0.0088 (15)0.0171 (16)
N50.0435 (18)0.0437 (19)0.050 (2)0.0081 (15)0.0070 (16)0.0211 (16)
C10.071 (3)0.082 (4)0.054 (3)0.021 (3)0.016 (3)0.023 (3)
C20.080 (4)0.100 (5)0.063 (4)0.023 (3)0.023 (3)0.009 (3)
C30.071 (4)0.084 (4)0.084 (4)0.033 (3)0.015 (3)0.004 (3)
C40.066 (3)0.059 (3)0.072 (3)0.022 (2)0.006 (3)0.013 (3)
C50.044 (2)0.044 (2)0.053 (3)0.0079 (18)0.0028 (19)0.0119 (19)
C60.042 (2)0.041 (2)0.052 (2)0.0040 (18)0.0030 (19)0.0175 (19)
C70.064 (3)0.058 (3)0.080 (4)0.020 (2)0.003 (3)0.036 (3)
C80.083 (4)0.075 (4)0.077 (4)0.013 (3)0.009 (3)0.051 (3)
C90.066 (3)0.085 (4)0.074 (4)0.011 (3)0.017 (3)0.048 (3)
C100.048 (2)0.071 (3)0.062 (3)0.013 (2)0.014 (2)0.037 (2)
C110.046 (2)0.034 (2)0.048 (2)0.0062 (17)0.0133 (18)0.0121 (17)
C120.047 (2)0.046 (3)0.072 (3)0.0004 (19)0.016 (2)0.021 (2)
C130.047 (3)0.056 (3)0.069 (3)0.011 (2)0.005 (2)0.011 (2)
C140.050 (3)0.075 (3)0.053 (3)0.001 (2)0.002 (2)0.013 (2)
C150.046 (2)0.068 (3)0.054 (3)0.001 (2)0.005 (2)0.028 (2)
C160.044 (2)0.037 (2)0.055 (2)0.0127 (17)0.0169 (19)0.0192 (18)
C170.060 (3)0.047 (3)0.066 (3)0.008 (2)0.017 (2)0.031 (2)
C180.080 (3)0.062 (3)0.070 (3)0.021 (3)0.024 (3)0.043 (3)
C190.065 (3)0.074 (3)0.064 (3)0.027 (3)0.005 (2)0.037 (3)
C200.047 (2)0.062 (3)0.060 (3)0.012 (2)0.003 (2)0.030 (2)
C210.041 (2)0.072 (3)0.043 (2)0.019 (2)0.0109 (18)0.025 (2)
C220.061 (3)0.066 (3)0.056 (3)0.017 (2)0.017 (2)0.016 (2)
C230.154 (7)0.070 (4)0.152 (7)0.027 (4)0.087 (6)0.020 (4)
C240.111 (5)0.141 (6)0.048 (3)0.041 (5)0.020 (3)0.022 (4)
C310.036 (2)0.050 (2)0.053 (3)0.0179 (18)0.0035 (19)0.015 (2)
C320.047 (2)0.048 (3)0.072 (3)0.015 (2)0.004 (2)0.023 (2)
C330.085 (4)0.062 (3)0.078 (4)0.009 (3)0.016 (3)0.001 (3)
C340.078 (4)0.093 (5)0.133 (6)0.007 (3)0.027 (4)0.053 (4)
C410.045 (2)0.043 (2)0.059 (3)0.0152 (19)0.004 (2)0.012 (2)
C420.048 (2)0.048 (2)0.049 (2)0.0067 (19)0.0030 (19)0.0137 (19)
C430.092 (4)0.069 (3)0.053 (3)0.009 (3)0.004 (3)0.018 (3)
C440.099 (4)0.073 (4)0.071 (4)0.022 (3)0.004 (3)0.022 (3)
C510.040 (2)0.053 (3)0.049 (3)0.0051 (18)0.0106 (19)0.013 (2)
C520.060 (3)0.051 (3)0.081 (3)0.016 (2)0.027 (3)0.033 (2)
C530.149 (7)0.147 (7)0.102 (6)0.091 (6)0.031 (5)0.065 (5)
C540.086 (4)0.057 (3)0.088 (4)0.020 (3)0.035 (3)0.016 (3)
C610.038 (2)0.053 (2)0.040 (2)0.0058 (18)0.0041 (17)0.0153 (19)
C620.042 (2)0.055 (3)0.061 (3)0.002 (2)0.001 (2)0.015 (2)
C630.057 (3)0.096 (5)0.137 (6)0.013 (3)0.005 (3)0.062 (4)
C640.056 (3)0.105 (5)0.063 (3)0.009 (3)0.015 (3)0.025 (3)
C710.046 (3)0.060 (3)0.083 (4)0.014 (2)0.027 (3)0.016 (3)
C720.062 (3)0.051 (3)0.059 (3)0.001 (2)0.002 (2)0.018 (2)
C730.107 (5)0.123 (6)0.063 (4)0.057 (5)0.008 (3)0.007 (4)
C740.117 (6)0.091 (5)0.131 (7)0.002 (4)0.004 (5)0.057 (5)
Geometric parameters (Å, º) top
La—O12.636 (3)C13—C141.374 (7)
La—O22.627 (3)C13—H130.9300
La—O32.437 (3)C14—C151.375 (6)
La—O42.429 (3)C14—H140.9300
La—O52.447 (3)C15—H150.9300
La—O62.461 (3)C16—C171.379 (6)
La—O72.507 (3)C17—C181.374 (7)
La—O92.436 (4)C17—H170.9300
Zn1—O102.012 (3)C18—C191.368 (7)
Zn1—O112.020 (3)C18—H180.9300
Zn1—O122.025 (3)C19—C201.371 (6)
Zn1—N12.180 (4)C19—H190.9300
Zn1—N22.095 (3)C20—H200.9300
Zn2—O132.083 (3)C21—C221.502 (6)
Zn2—O142.003 (3)C22—C231.346 (8)
Zn2—O152.018 (4)C22—C241.445 (8)
Zn2—N42.185 (3)C23—H23A0.9300
Zn2—N52.098 (3)C23—H23B0.9300
O1—N31.267 (6)C24—H24A0.9600
O2—N31.249 (6)C24—H24B0.9600
O3—C211.237 (5)C24—H24C0.9600
O4—C411.262 (5)C31—C321.493 (6)
O5—C611.245 (5)C32—C331.350 (8)
O6—C311.246 (5)C32—C341.464 (8)
O7—C511.239 (5)C33—H33A0.9300
O8—N31.227 (5)C33—H33B0.9300
O9—C711.205 (8)C34—H34A0.9600
O10—C211.247 (5)C34—H34B0.9600
O11—C411.252 (5)C34—H34C0.9600
O12—C311.253 (5)C41—C421.477 (6)
O13—C511.243 (5)C42—C431.336 (7)
O14—C611.251 (5)C42—C441.473 (7)
O15—C711.306 (8)C43—H43A0.9300
N1—C11.336 (6)C43—H43B0.9300
N1—C51.340 (6)C44—H44A0.9600
N2—C101.336 (5)C44—H44B0.9600
N2—C61.343 (5)C44—H44C0.9600
N4—C151.336 (6)C51—C521.501 (6)
N4—C111.337 (5)C52—C531.364 (8)
N5—C201.331 (6)C52—C541.430 (7)
N5—C161.346 (5)C53—H53A0.9300
C1—C21.376 (8)C53—H53B0.9300
C1—H10.9300C54—H54A0.9600
C2—C31.355 (9)C54—H54B0.9600
C2—H20.9300C54—H54C0.9600
C3—C41.369 (8)C61—C621.492 (6)
C3—H30.9300C62—C631.356 (7)
C4—C51.385 (6)C62—C641.435 (7)
C4—H40.9300C63—H63A0.9300
C5—C61.474 (6)C63—H63B0.9300
C6—C71.386 (6)C64—H64A0.9600
C7—C81.375 (8)C64—H64B0.9600
C7—H70.9300C64—H64C0.9600
C8—C91.364 (8)C72—C731.331 (8)
C8—H80.9300C72—C711.463 (7)
C9—C101.369 (7)C72—C741.472 (8)
C9—H90.9300C73—H73A0.9300
C10—H100.9300C73—H73B0.9300
C11—C121.391 (6)C74—H74A0.9600
C11—C161.477 (6)C74—H74B0.9600
C12—C131.355 (7)C74—H74C0.9600
C12—H120.9300
O1—La—O248.24 (12)C13—C14—C15117.2 (5)
O1—La—O372.37 (13)C13—C14—H14121.4
O1—La—O474.66 (11)C15—C14—H14121.4
O1—La—O572.89 (11)N4—C15—C14123.1 (4)
O1—La—O6135.61 (11)N4—C15—H15118.5
O1—La—O7142.20 (13)C14—C15—H15118.5
O1—La—O9119.58 (13)N5—C16—C17120.6 (4)
O2—La—O376.40 (11)N5—C16—C11116.2 (3)
O2—La—O4122.90 (12)C17—C16—C11123.1 (4)
O2—La—O573.39 (13)C18—C17—C16119.7 (4)
O2—La—O6142.15 (13)C18—C17—H17120.1
O2—La—O7130.90 (12)C16—C17—H17120.1
O2—La—O971.56 (13)C17—C18—C19119.1 (4)
O3—La—O487.73 (13)C17—C18—H18120.5
O3—La—O5143.91 (12)C19—C18—H18120.5
O3—La—O672.73 (11)C18—C19—C20119.0 (5)
O3—La—O7143.80 (13)C18—C19—H19120.5
O3—La—O991.42 (18)C20—C19—H19120.5
O4—La—O592.34 (13)N5—C20—C19122.3 (4)
O4—La—O677.41 (12)N5—C20—H20118.8
O4—La—O792.55 (13)C19—C20—H20118.8
O4—La—O9164.68 (14)O3—C21—O10124.6 (4)
O5—La—O6142.27 (12)O3—C21—C22118.0 (4)
O5—La—O772.28 (12)O10—C21—C22117.4 (4)
O5—La—O997.29 (18)C23—C22—C24124.3 (6)
O6—La—O772.04 (12)C23—C22—C21119.9 (5)
O6—La—O987.73 (16)C24—C22—C21115.9 (5)
O7—La—O979.17 (16)C22—C24—H24A109.5
O10—Zn1—O1197.66 (15)C22—C24—H24B109.5
O10—Zn1—O1289.52 (14)H24A—C24—H24B109.5
O10—Zn1—N1166.85 (14)C22—C24—H24C109.5
O10—Zn1—N292.71 (14)H24A—C24—H24C109.5
O11—Zn1—O12153.68 (14)H24B—C24—H24C109.5
O11—Zn1—N191.78 (14)O6—C31—O12124.9 (4)
O11—Zn1—N2100.94 (14)O6—C31—C32117.4 (4)
O12—Zn1—N185.99 (14)O12—C31—C32117.7 (4)
O12—Zn1—N2103.99 (13)C33—C32—C34123.9 (5)
N1—Zn1—N276.45 (14)C33—C32—C31118.1 (5)
O13—Zn2—O1495.89 (13)C34—C32—C31118.0 (5)
O13—Zn2—O15155.50 (19)C32—C33—H33A120.0
O13—Zn2—N487.04 (13)C32—C33—H33B120.0
O13—Zn2—N5100.84 (13)H33A—C33—H33B120.0
O14—Zn2—O1594.60 (15)C32—C34—H34A109.5
O14—Zn2—N4170.72 (12)C32—C34—H34B109.5
O14—Zn2—N594.27 (12)H34A—C34—H34B109.5
O15—Zn2—N486.13 (15)C32—C34—H34C109.5
O15—Zn2—N5100.4 (2)H34A—C34—H34C109.5
N4—Zn2—N576.52 (13)H34B—C34—H34C109.5
N3—O1—La96.6 (3)O11—C41—O4121.9 (4)
N3—O2—La97.6 (3)O11—C41—C42118.6 (4)
C21—O3—La156.7 (4)O4—C41—C42119.4 (4)
C41—O4—La143.0 (3)C43—C42—C41120.0 (4)
C61—O5—La156.2 (3)C43—C42—C44122.5 (5)
C31—O6—La137.7 (3)C41—C42—C44117.5 (4)
C51—O7—La155.6 (3)C42—C43—H43A120.0
C21—O10—Zn1120.8 (3)C42—C43—H43B120.0
C41—O11—Zn1112.4 (3)H43A—C43—H43B120.0
C31—O12—Zn1126.6 (3)C42—C44—H44A109.5
C51—O13—Zn2107.5 (3)C42—C44—H44B109.5
C61—O14—Zn2121.3 (3)H44A—C44—H44B109.5
C1—N1—C5119.4 (4)C42—C44—H44C109.5
C1—N1—Zn1126.0 (3)H44A—C44—H44C109.5
C5—N1—Zn1114.2 (3)H44B—C44—H44C109.5
C10—N2—C6119.0 (4)O7—C51—O13122.2 (4)
C10—N2—Zn1124.1 (3)O7—C51—C52119.6 (4)
C6—N2—Zn1116.9 (3)O13—C51—C52118.1 (4)
O8—N3—O2121.9 (5)C53—C52—C54123.2 (5)
O8—N3—O1120.6 (5)C53—C52—C51118.5 (5)
O2—N3—O1117.5 (4)C54—C52—C51118.2 (4)
C15—N4—C11119.2 (4)C52—C53—H53A120.0
C15—N4—Zn2126.3 (3)C52—C53—H53B120.0
C11—N4—Zn2114.5 (3)H53A—C53—H53B120.0
C20—N5—C16119.3 (4)C52—C54—H54A109.5
C20—N5—Zn2123.9 (3)C52—C54—H54B109.5
C16—N5—Zn2116.8 (3)H54A—C54—H54B109.5
N1—C1—C2122.1 (5)C52—C54—H54C109.5
N1—C1—H1118.9H54A—C54—H54C109.5
C2—C1—H1118.9H54B—C54—H54C109.5
C1—C2—C3118.7 (5)O5—C61—O14123.9 (4)
C1—C2—H2120.7O5—C61—C62118.4 (4)
C3—C2—H2120.7O14—C61—C62117.7 (4)
C4—C3—C2120.0 (5)C63—C62—C64123.2 (5)
C4—C3—H3120.0C63—C62—C61118.8 (5)
C2—C3—H3120.0C64—C62—C61117.9 (4)
C3—C4—C5119.3 (5)C62—C63—H63A120.0
C3—C4—H4120.4C62—C63—H63B120.0
C5—C4—H4120.4H63A—C63—H63B120.0
N1—C5—C4120.6 (4)C62—C64—H64A109.5
N1—C5—C6115.7 (4)C62—C64—H64B109.5
C4—C5—C6123.7 (4)H64A—C64—H64B109.5
N2—C6—C7120.8 (4)C62—C64—H64C109.5
N2—C6—C5116.0 (4)H64A—C64—H64C109.5
C7—C6—C5123.1 (4)H64B—C64—H64C109.5
C6—C7—C8119.2 (5)C71—O15—Zn2125.1 (4)
C6—C7—H7120.4C71—O9—La130.1 (4)
C8—C7—H7120.4C73—C72—C71119.5 (6)
C9—C8—C7119.5 (5)C73—C72—C74119.4 (6)
C9—C8—H8120.3C71—C72—C74121.0 (6)
C7—C8—H8120.3O9—C71—O15126.8 (6)
C8—C9—C10118.9 (5)O9—C71—C72121.2 (6)
C8—C9—H9120.6O15—C71—C72111.9 (6)
C10—C9—H9120.6C72—C73—H73A120.0
N2—C10—C9122.5 (5)C72—C73—H73B120.0
N2—C10—H10118.7H73A—C73—H73B120.0
C9—C10—H10118.7C72—C74—H74A109.5
N4—C11—C12120.4 (4)C72—C74—H74B109.5
N4—C11—C16115.7 (3)H74A—C74—H74B109.5
C12—C11—C16123.8 (4)C72—C74—H74C109.5
C13—C12—C11119.4 (4)H74A—C74—H74C109.5
C13—C12—H12120.3H74B—C74—H74C109.5
C11—C12—H12120.3C22—C23—H23A120.0
C12—C13—C14120.6 (4)C22—C23—H23B120.0
C12—C13—H13119.7H23A—C23—H23B120.0
C14—C13—H13119.7
 

Follow Acta Cryst. E
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds