Bis(2,2′-bi­pyridine)-1κ2N:N′;3κ2N:N′-tris(μ-α-methyl­acryl­ato-1:2κ2O:O′)­tris(μ-α-methyl­acryl­ato-2:3κ2O:O′)(nitrato-2κ2O:O′)­dizinc(II)­praseodymium(III)

Zhu, Y.; Lu, W.; Chen, F.

doi:10.1107/S1600536804022779

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Bis(2,2′-bipyridine)-1κ²N:N′;3κ²N:N′-tris(μ-α-methylacrylato-1:2κ²O:O′)tris(μ-α-methylacrylato-2:3κ²O:O′)(nitrato-2κ²O:O′)dizinc(II)praseodymium(III)

Y. Zhu, W. Lu and F. Chen

The crystal structure of the title heteronuclear complex, [PrZn₂(C₄H₅O₂)₆(NO₃)(C₁₀H₈N₂)₂], is made up of discrete molecules of a trinuclear Zn—Pr—Zn complex with the central Pr atom bridged by three bidentate α-methylacrylate groups to each of the two Zn atoms. In the complex, the Pr atom is coordinated by six O atoms from the bridging methylacrylate groups and by two O atoms from a bidentate chelate nitrato group in a distorted square antiprismatic configuration. Each Zn ion is five-coordinated by three O atoms from three bridging methylacrylate groups and by two N atoms from a bipyridine in a distorted trigonal–bipyramidal configuration.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804022779/ya6221sup1.cif Contains datablocks I, global
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536804022779/ya6221Isup2.hkl Contains datablock I

CCDC reference: 252781

checkCIF report

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.007 Å
R factor = 0.029
wR factor = 0.090
Data-to-parameter ratio = 14.2

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT241_ALERT_2_B Check High   U(eq) as Compared to Neighbors  for         O7
PLAT242_ALERT_2_B Check Low    U(eq) as Compared to Neighbors  for         Pr
PLAT413_ALERT_2_B Short Inter XH3 .. XHn     H24C   ..  H74B    ..       1.95 Ang.

Alert level C
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.98
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.06 Ratio
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O2     -   N3      ..       6.14 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Pr     -   O2      ..       5.72 su
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for         O3
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for         O4
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for         O5
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for         O6
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for         O9
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for        O10
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for        O11
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for        O15
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for        C22
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for        C32
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for        C42
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for        C51
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for        C52
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for        C62
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for        C72
PLAT380_ALERT_4_C Incorrectly Oriented X(sp2)-Methyl Moiety ......        C24
PLAT380_ALERT_4_C Incorrectly Oriented X(sp2)-Methyl Moiety ......        C34
PLAT380_ALERT_4_C Incorrectly Oriented X(sp2)-Methyl Moiety ......        C44
PLAT380_ALERT_4_C Incorrectly Oriented X(sp2)-Methyl Moiety ......        C54
PLAT380_ALERT_4_C Incorrectly Oriented X(sp2)-Methyl Moiety ......        C64
PLAT380_ALERT_4_C Incorrectly Oriented X(sp2)-Methyl Moiety ......        C74

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  21 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
   7 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 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).

Bis(2,2'-bipyridine)-1κ²N:N';3κ²N:N'-tris(µ-α-methylacrylato- 1:2κ²O:O')tris(µ-α-methylacrylato-2:3κ²O:O')(nitrato- 2κ²O:O')dizinc(II)praseodymium(III) top

Crystal data top

[PrZn₂(C₄H₅O₂)₆(NO₃)(C₁₀H₈N₂)₂]	Z = 2
M_r = 1156.51	F(000) = 1168
Triclinic, P1	D_x = 1.600 Mg m⁻³
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 11.3602 (4) Å	Cell parameters from 9302 reflections
b = 13.7513 (8) Å	θ = 1.3–27.4°
c = 16.4755 (10) Å	µ = 2.06 mm⁻¹
α = 104.026 (1)°	T = 293 K
β = 99.319 (1)°	Chunk, light-green
γ = 100.192 (3)°	0.30 × 0.20 × 0.20 mm
V = 2400.4 (2) Å³

Data collection top

Rigaku R-AXIS RAPID diffractometer	8562 independent reflections
Radiation source: fine-focus sealed tube	7539 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.020
Detector resolution: 10.00 pixels mm^-1	θ_max = 25.3°, θ_min = 1.3°
ω scans	h = −13→13
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	k = −16→16
T_min = 0.577, T_max = 0.673	l = −19→19
19000 measured reflections

Refinement top

Refinement on F²	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F² > 2σ(F²)] = 0.029	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.090	H atoms treated by a mixture of independent and constrained refinement
S = 1.17	w = 1/[σ²(F_o²) + (0.0516P)² + 1.031P] where P = (F_o² + 2F_c²)/3
8562 reflections	(Δ/σ)_max = 0.001
604 parameters	Δρ_max = 0.52 e Å⁻³
0 restraints	Δρ_min = −0.74 e Å⁻³

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

	x	y	z	U_iso*/U_eq
Pr	0.854229 (15)	0.737574 (14)	0.743017 (11)	0.03700 (7)
Zn1	0.78557 (4)	0.92651 (3)	0.59918 (3)	0.04342 (11)
Zn2	0.78828 (3)	0.59566 (3)	0.91929 (2)	0.03884 (10)
O1	1.0792 (3)	0.8107 (2)	0.7390 (2)	0.0630 (8)
O2	1.0332 (3)	0.6470 (2)	0.7225 (2)	0.0647 (8)
O3	0.8644 (3)	0.7147 (3)	0.59529 (18)	0.0703 (9)
O4	0.8734 (3)	0.9182 (2)	0.7615 (2)	0.0700 (9)
O5	0.9747 (3)	0.7592 (2)	0.88288 (18)	0.0641 (8)
O6	0.6545 (2)	0.7405 (3)	0.66652 (18)	0.0675 (8)
O7	0.7134 (3)	0.7379 (3)	0.8413 (2)	0.0903 (12)
O8	1.2195 (3)	0.7227 (4)	0.7274 (3)	0.1043 (15)
O9	0.7799 (3)	0.5568 (2)	0.7206 (3)	0.0740 (9)
O10	0.8800 (3)	0.8390 (2)	0.5316 (2)	0.0618 (7)
O11	0.9323 (3)	1.0236 (2)	0.68772 (19)	0.0651 (8)
O12	0.6362 (2)	0.8080 (2)	0.55706 (19)	0.0575 (7)
O13	0.7020 (2)	0.7122 (2)	0.96542 (18)	0.0561 (7)
O14	0.9578 (2)	0.6753 (2)	0.98015 (16)	0.0484 (6)
O15	0.8434 (3)	0.4956 (2)	0.82969 (19)	0.0646 (8)
N1	0.6628 (3)	1.0209 (2)	0.6454 (2)	0.0505 (7)
N2	0.7647 (3)	1.0131 (2)	0.51111 (19)	0.0455 (7)
N3	1.1127 (3)	0.7263 (4)	0.7290 (2)	0.0666 (10)
N4	0.6052 (3)	0.4964 (2)	0.86684 (19)	0.0433 (7)
N5	0.7668 (2)	0.5092 (2)	1.00659 (19)	0.0415 (6)
C1	0.6147 (4)	1.0216 (4)	0.7143 (3)	0.0667 (11)
H1	0.6422	0.9845	0.7508	0.080*
C2	0.5271 (5)	1.0744 (4)	0.7337 (3)	0.0815 (15)
H2	0.4962	1.0738	0.7826	0.098*
C3	0.4858 (5)	1.1282 (4)	0.6794 (4)	0.0807 (15)
H3	0.4254	1.1641	0.6907	0.097*
C4	0.5339 (4)	1.1292 (3)	0.6084 (3)	0.0650 (11)
H4	0.5065	1.1654	0.5711	0.078*
C5	0.6239 (3)	1.0752 (3)	0.5930 (2)	0.0480 (8)
C6	0.6844 (3)	1.0735 (3)	0.5197 (2)	0.0469 (8)
C7	0.6631 (4)	1.1315 (3)	0.4631 (3)	0.0664 (12)
H7	0.6052	1.1715	0.4681	0.080*
C8	0.7277 (5)	1.1296 (4)	0.3996 (3)	0.0772 (14)
H8	0.7151	1.1692	0.3620	0.093*
C9	0.8108 (4)	1.0691 (4)	0.3920 (3)	0.0689 (12)
H9	0.8557	1.0671	0.3495	0.083*
C10	0.8263 (4)	1.0115 (3)	0.4486 (3)	0.0570 (10)
H10	0.8821	0.9696	0.4431	0.068*
C11	0.5682 (3)	0.4361 (3)	0.9146 (2)	0.0411 (7)
C12	0.4524 (3)	0.3704 (3)	0.8897 (3)	0.0522 (9)
H12	0.4265	0.3296	0.9238	0.063*
C13	0.3774 (4)	0.3664 (3)	0.8149 (3)	0.0606 (11)
H13	0.3002	0.3223	0.7975	0.073*
C14	0.4157 (4)	0.4275 (3)	0.7655 (3)	0.0609 (10)
H14	0.3657	0.4255	0.7142	0.073*
C15	0.5299 (3)	0.4919 (3)	0.7937 (3)	0.0541 (9)
H15	0.5562	0.5341	0.7608	0.065*
C16	0.6579 (3)	0.4439 (2)	0.9934 (2)	0.0402 (7)
C17	0.6340 (4)	0.3880 (3)	1.0503 (3)	0.0534 (9)
H17	0.5576	0.3447	1.0416	0.064*
C18	0.7243 (4)	0.3968 (3)	1.1204 (3)	0.0635 (11)
H18	0.7094	0.3594	1.1592	0.076*
C19	0.8354 (4)	0.4607 (4)	1.1320 (3)	0.0613 (11)
H19	0.8978	0.4669	1.1784	0.074*
C20	0.8543 (3)	0.5162 (3)	1.0744 (3)	0.0517 (9)
H20	0.9302	0.5600	1.0826	0.062*
C21	0.8775 (3)	0.7483 (3)	0.5329 (2)	0.0485 (9)
C22	0.8884 (4)	0.6749 (3)	0.4522 (3)	0.0549 (9)
C23	0.8908 (6)	0.5776 (4)	0.4495 (4)	0.104 (2)
H23A	0.8964	0.5321	0.3991	0.125*
H23B	0.8868	0.5552	0.4982	0.125*
C24	0.8942 (6)	0.7164 (5)	0.3785 (3)	0.0929 (17)
H24A	0.8912	0.7877	0.3946	0.139*
H24B	0.8261	0.6788	0.3324	0.139*
H24C	0.9693	0.7098	0.3603	0.139*
C31	0.6044 (3)	0.7409 (3)	0.5935 (2)	0.0469 (8)
C32	0.4976 (3)	0.6545 (3)	0.5462 (3)	0.0550 (10)
C33	0.4814 (5)	0.6205 (4)	0.4603 (3)	0.0797 (15)
H33A	0.4166	0.5658	0.4292	0.096*
H33B	0.5349	0.6518	0.4322	0.096*
C34	0.4183 (5)	0.6104 (5)	0.5963 (4)	0.0944 (17)
H34A	0.4474	0.6467	0.6559	0.142*
H34B	0.4196	0.5391	0.5881	0.142*
H34C	0.3361	0.6165	0.5778	0.142*
C41	0.9413 (3)	0.9976 (3)	0.7555 (3)	0.0489 (9)
C42	1.0330 (3)	1.0666 (3)	0.8321 (2)	0.0496 (9)
C43	1.0384 (5)	1.0456 (4)	0.9070 (3)	0.0751 (13)
H43A	1.0938	1.0892	0.9554	0.090*
H43B	0.9867	0.9871	0.9110	0.090*
C44	1.1105 (5)	1.1566 (4)	0.8199 (3)	0.0851 (16)
H44A	1.0910	1.1563	0.7609	0.128*
H44B	1.1950	1.1545	0.8354	0.128*
H44C	1.0963	1.2181	0.8553	0.128*
C51	0.6793 (3)	0.7576 (3)	0.9098 (2)	0.0490 (9)
C52	0.6005 (4)	0.8343 (3)	0.9258 (3)	0.0609 (11)
C53	0.5339 (7)	0.8544 (6)	0.8578 (5)	0.123 (3)
H53A	0.4814	0.8988	0.8668	0.148*
H53B	0.5410	0.8238	0.8025	0.148*
C54	0.5938 (5)	0.8791 (4)	1.0128 (3)	0.0764 (14)
H54A	0.6478	0.8552	1.0507	0.115*
H54B	0.5113	0.8594	1.0196	0.115*
H54C	0.6176	0.9527	1.0262	0.115*
C61	1.0169 (3)	0.7386 (3)	0.9498 (2)	0.0430 (8)
C62	1.1437 (3)	0.7925 (3)	0.9979 (3)	0.0517 (9)
C63	1.2121 (4)	0.8582 (4)	0.9653 (4)	0.0860 (16)
H63A	1.2920	0.8912	0.9940	0.103*
H63B	1.1791	0.8704	0.9142	0.103*
C64	1.1891 (4)	0.7696 (4)	1.0774 (3)	0.0751 (14)
H64A	1.1261	0.7215	1.0888	0.113*
H64B	1.2118	0.8319	1.1237	0.113*
H64C	1.2592	0.7405	1.0723	0.113*
C71	0.8175 (3)	0.4897 (3)	0.7502 (3)	0.0520 (9)
C72	0.8300 (3)	0.3941 (3)	0.6911 (3)	0.0521 (9)
C73	0.8297 (5)	0.3897 (5)	0.6096 (3)	0.0826 (15)
H73A	0.8218	0.4467	0.5900	0.099*
H73B	0.8376	0.3298	0.5723	0.099*
C74	0.8441 (5)	0.3063 (4)	0.7259 (4)	0.0826 (14)
H74A	0.8419	0.3246	0.7856	0.124*
H74B	0.9210	0.2893	0.7191	0.124*
H74C	0.7786	0.2480	0.6955	0.124*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Pr	0.03832 (11)	0.04231 (12)	0.03721 (11)	0.00979 (8)	0.00912 (7)	0.02259 (8)
Zn1	0.0437 (2)	0.0482 (2)	0.0418 (2)	0.01135 (17)	0.00325 (17)	0.02212 (18)
Zn2	0.0369 (2)	0.0411 (2)	0.0403 (2)	0.00373 (16)	0.00850 (16)	0.01810 (17)
O1	0.0528 (16)	0.076 (2)	0.077 (2)	0.0139 (14)	0.0229 (14)	0.0486 (17)
O2	0.0625 (18)	0.073 (2)	0.082 (2)	0.0292 (15)	0.0271 (15)	0.0473 (17)
O3	0.082 (2)	0.107 (3)	0.0462 (16)	0.0448 (18)	0.0253 (14)	0.0414 (17)
O4	0.0566 (17)	0.0407 (15)	0.108 (3)	0.0084 (13)	0.0169 (16)	0.0134 (15)
O5	0.0574 (16)	0.086 (2)	0.0486 (16)	0.0020 (14)	0.0008 (13)	0.0363 (15)
O6	0.0470 (15)	0.104 (2)	0.0540 (17)	0.0184 (15)	0.0016 (13)	0.0314 (16)
O7	0.0599 (19)	0.153 (4)	0.0585 (19)	0.024 (2)	0.0285 (15)	0.020 (2)
O8	0.058 (2)	0.177 (4)	0.137 (3)	0.058 (2)	0.052 (2)	0.112 (3)
O9	0.0591 (18)	0.0508 (17)	0.117 (3)	0.0081 (14)	0.0237 (17)	0.0330 (18)
O10	0.0662 (18)	0.0599 (18)	0.0699 (19)	0.0219 (14)	0.0265 (15)	0.0244 (15)
O11	0.0621 (18)	0.0719 (19)	0.0528 (17)	0.0125 (14)	−0.0085 (13)	0.0172 (15)
O12	0.0477 (15)	0.0514 (16)	0.0728 (18)	0.0076 (12)	0.0008 (13)	0.0270 (14)
O13	0.0577 (16)	0.0478 (15)	0.0646 (17)	0.0140 (12)	0.0108 (13)	0.0192 (13)
O14	0.0436 (13)	0.0527 (15)	0.0464 (14)	−0.0027 (11)	0.0043 (11)	0.0224 (12)
O15	0.0539 (16)	0.075 (2)	0.0556 (18)	0.0128 (14)	0.0114 (13)	0.0033 (15)
N1	0.0506 (18)	0.0525 (18)	0.0476 (18)	0.0108 (14)	0.0061 (14)	0.0162 (15)
N2	0.0423 (16)	0.0464 (17)	0.0484 (17)	0.0066 (13)	0.0011 (13)	0.0222 (14)
N3	0.054 (2)	0.110 (3)	0.069 (2)	0.037 (2)	0.0288 (17)	0.062 (2)
N4	0.0400 (15)	0.0480 (17)	0.0429 (16)	0.0050 (12)	0.0092 (12)	0.0177 (13)
N5	0.0404 (15)	0.0427 (16)	0.0467 (16)	0.0083 (12)	0.0098 (12)	0.0227 (13)
C1	0.069 (3)	0.079 (3)	0.057 (3)	0.020 (2)	0.018 (2)	0.023 (2)
C2	0.076 (3)	0.098 (4)	0.066 (3)	0.018 (3)	0.025 (3)	0.008 (3)
C3	0.066 (3)	0.083 (3)	0.087 (4)	0.030 (3)	0.015 (3)	0.003 (3)
C4	0.062 (3)	0.057 (3)	0.073 (3)	0.022 (2)	0.005 (2)	0.014 (2)
C5	0.0431 (19)	0.0408 (19)	0.053 (2)	0.0043 (15)	−0.0024 (16)	0.0115 (16)
C6	0.0425 (19)	0.0412 (19)	0.054 (2)	0.0040 (15)	−0.0015 (16)	0.0187 (16)
C7	0.070 (3)	0.056 (3)	0.080 (3)	0.019 (2)	0.003 (2)	0.037 (2)
C8	0.089 (3)	0.077 (3)	0.078 (3)	0.011 (3)	0.011 (3)	0.056 (3)
C9	0.068 (3)	0.080 (3)	0.070 (3)	0.009 (2)	0.020 (2)	0.044 (3)
C10	0.051 (2)	0.070 (3)	0.059 (2)	0.0120 (19)	0.0128 (18)	0.035 (2)
C11	0.0410 (18)	0.0351 (17)	0.0483 (19)	0.0062 (14)	0.0153 (15)	0.0118 (15)
C12	0.048 (2)	0.044 (2)	0.064 (2)	−0.0001 (16)	0.0161 (18)	0.0181 (18)
C13	0.043 (2)	0.060 (3)	0.066 (3)	−0.0059 (17)	0.0052 (18)	0.010 (2)
C14	0.051 (2)	0.072 (3)	0.051 (2)	0.0006 (19)	0.0024 (18)	0.016 (2)
C15	0.043 (2)	0.069 (3)	0.051 (2)	0.0020 (17)	0.0062 (16)	0.0276 (19)
C16	0.0442 (18)	0.0343 (17)	0.0481 (19)	0.0109 (14)	0.0158 (15)	0.0173 (15)
C17	0.056 (2)	0.049 (2)	0.065 (2)	0.0109 (17)	0.0221 (19)	0.0299 (19)
C18	0.075 (3)	0.068 (3)	0.069 (3)	0.024 (2)	0.026 (2)	0.045 (2)
C19	0.065 (3)	0.073 (3)	0.059 (2)	0.028 (2)	0.009 (2)	0.038 (2)
C20	0.045 (2)	0.060 (2)	0.056 (2)	0.0111 (17)	0.0062 (17)	0.0302 (19)
C21	0.0377 (18)	0.072 (3)	0.042 (2)	0.0193 (17)	0.0080 (15)	0.0228 (18)
C22	0.055 (2)	0.065 (3)	0.048 (2)	0.0146 (18)	0.0157 (17)	0.0169 (19)
C23	0.133 (5)	0.072 (4)	0.119 (5)	0.024 (3)	0.072 (4)	0.018 (3)
C24	0.108 (4)	0.131 (5)	0.046 (3)	0.036 (4)	0.024 (3)	0.025 (3)
C31	0.0371 (18)	0.052 (2)	0.053 (2)	0.0175 (15)	0.0056 (16)	0.0156 (18)
C32	0.046 (2)	0.048 (2)	0.072 (3)	0.0134 (17)	0.0018 (18)	0.023 (2)
C33	0.081 (3)	0.059 (3)	0.078 (3)	0.008 (2)	−0.016 (3)	0.008 (2)
C34	0.073 (3)	0.089 (4)	0.127 (5)	0.008 (3)	0.024 (3)	0.046 (4)
C41	0.0403 (19)	0.042 (2)	0.062 (2)	0.0141 (16)	0.0047 (16)	0.0114 (17)
C42	0.050 (2)	0.050 (2)	0.049 (2)	0.0114 (16)	0.0048 (16)	0.0169 (17)
C43	0.097 (4)	0.072 (3)	0.057 (3)	0.019 (3)	0.010 (2)	0.023 (2)
C44	0.085 (4)	0.073 (3)	0.072 (3)	−0.024 (3)	−0.007 (3)	0.020 (3)
C51	0.0378 (19)	0.057 (2)	0.049 (2)	0.0055 (16)	0.0120 (16)	0.0117 (18)
C52	0.062 (2)	0.052 (2)	0.085 (3)	0.0169 (19)	0.029 (2)	0.036 (2)
C53	0.148 (6)	0.152 (7)	0.116 (5)	0.092 (6)	0.036 (5)	0.078 (5)
C54	0.087 (3)	0.055 (3)	0.097 (4)	0.022 (2)	0.041 (3)	0.020 (3)
C61	0.0383 (18)	0.049 (2)	0.0415 (18)	0.0073 (15)	0.0057 (14)	0.0151 (16)
C62	0.042 (2)	0.050 (2)	0.055 (2)	0.0016 (16)	0.0050 (16)	0.0105 (18)
C63	0.053 (3)	0.086 (4)	0.116 (4)	−0.011 (2)	0.007 (3)	0.049 (3)
C64	0.053 (3)	0.106 (4)	0.056 (3)	0.008 (2)	−0.012 (2)	0.025 (3)
C71	0.0367 (19)	0.048 (2)	0.066 (3)	−0.0012 (15)	0.0131 (17)	0.0126 (19)
C72	0.048 (2)	0.052 (2)	0.051 (2)	0.0049 (16)	0.0047 (16)	0.0136 (18)
C73	0.083 (3)	0.106 (4)	0.060 (3)	0.031 (3)	0.014 (2)	0.018 (3)
C74	0.095 (4)	0.057 (3)	0.089 (4)	0.011 (3)	0.012 (3)	0.018 (3)

Geometric parameters (Å, º) top

Pr—O1	2.594 (3)	C13—C14	1.370 (6)
Pr—O2	2.591 (3)	C13—H13	0.9300
Pr—O3	2.402 (3)	C14—C15	1.372 (6)
Pr—O4	2.394 (3)	C14—H14	0.9300
Pr—O5	2.403 (3)	C15—H15	0.9300
Pr—O6	2.422 (3)	C16—C17	1.379 (5)
Pr—O7	2.454 (3)	C17—C18	1.380 (6)
Pr—O9	2.396 (3)	C17—H17	0.9300
Zn1—O10	2.009 (3)	C18—C19	1.360 (6)
Zn1—O11	2.042 (3)	C18—H18	0.9300
Zn1—O12	2.027 (3)	C19—C20	1.374 (6)
Zn1—N1	2.172 (3)	C19—H19	0.9300
Zn1—N2	2.099 (3)	C20—H20	0.9300
Zn2—O13	2.077 (3)	C21—C22	1.500 (6)
Zn2—O14	2.003 (2)	C22—C23	1.334 (7)
Zn2—O15	2.021 (3)	C22—C24	1.467 (6)
Zn2—N4	2.185 (3)	C23—H23A	0.9300
Zn2—N5	2.093 (3)	C23—H23B	0.9300
O1—N3	1.266 (5)	C24—H24A	0.9600
O2—N3	1.257 (5)	C24—H24B	0.9600
O3—C21	1.244 (5)	C24—H24C	0.9600
O4—C41	1.255 (5)	C31—C32	1.493 (5)
O5—C61	1.248 (4)	C32—C33	1.348 (7)
O6—C31	1.247 (5)	C32—C34	1.467 (7)
O7—C51	1.235 (5)	C33—H33A	0.9300
O8—N3	1.226 (4)	C33—H33B	0.9300
O9—C71	1.248 (5)	C34—H34A	0.9600
O10—C21	1.247 (5)	C34—H34B	0.9600
O11—C41	1.246 (5)	C34—H34C	0.9600
O12—C31	1.250 (5)	C41—C42	1.491 (5)
O13—C51	1.247 (5)	C42—C43	1.328 (6)
O14—C61	1.253 (4)	C42—C44	1.463 (6)
O15—C71	1.274 (5)	C43—H43A	0.9300
N1—C1	1.335 (5)	C43—H43B	0.9300
N1—C5	1.344 (5)	C44—H44A	0.9600
N2—C10	1.334 (5)	C44—H44B	0.9600
N2—C6	1.340 (5)	C44—H44C	0.9600
N4—C11	1.335 (4)	C51—C52	1.502 (6)
N4—C15	1.341 (5)	C52—C53	1.361 (7)
N5—C20	1.341 (5)	C52—C54	1.438 (7)
N5—C16	1.345 (4)	C53—H53A	0.9300
C1—C2	1.366 (7)	C53—H53B	0.9300
C1—H1	0.9300	C54—H54A	0.9600
C2—C3	1.370 (8)	C54—H54B	0.9600
C2—H2	0.9300	C54—H54C	0.9600
C3—C4	1.370 (7)	C61—C62	1.490 (5)
C3—H3	0.9300	C62—C63	1.352 (6)
C4—C5	1.386 (6)	C62—C64	1.456 (6)
C4—H4	0.9300	C63—H63A	0.9300
C5—C6	1.479 (6)	C63—H63B	0.9300
C6—C7	1.387 (5)	C64—H64A	0.9600
C7—C8	1.370 (7)	C64—H64B	0.9600
C7—H7	0.9300	C64—H64C	0.9600
C8—C9	1.364 (7)	C71—C72	1.479 (6)
C8—H8	0.9300	C72—C73	1.329 (6)
C9—C10	1.372 (6)	C72—C74	1.478 (6)
C9—H9	0.9300	C73—H73A	0.9300
C10—H10	0.9300	C73—H73B	0.9300
C11—C12	1.393 (5)	C74—H74A	0.9600
C11—C16	1.485 (5)	C74—H74B	0.9600
C12—C13	1.363 (6)	C74—H74C	0.9600
C12—H12	0.9300

O1—Pr—O2	49.20 (10)	C12—C13—H13	120.0
O1—Pr—O3	72.62 (11)	C14—C13—H13	120.0
O1—Pr—O4	73.96 (10)	C13—C14—C15	118.2 (4)
O1—Pr—O5	73.50 (10)	C13—C14—H14	120.9
O1—Pr—O6	135.53 (10)	C15—C14—H14	120.9
O1—Pr—O7	141.67 (11)	N4—C15—C14	122.7 (4)
O1—Pr—O9	120.62 (10)	N4—C15—H15	118.6
O2—Pr—O3	74.77 (10)	C14—C15—H15	118.6
O2—Pr—O4	123.15 (10)	N5—C16—C17	120.9 (3)
O2—Pr—O5	72.56 (11)	N5—C16—C11	115.8 (3)
O2—Pr—O6	140.42 (11)	C17—C16—C11	123.3 (3)
O2—Pr—O7	132.44 (12)	C18—C17—C16	119.6 (4)
O2—Pr—O9	71.46 (10)	C18—C17—H17	120.2
O3—Pr—O4	89.69 (12)	C16—C17—H17	120.2
O3—Pr—O5	143.27 (11)	C19—C18—C17	119.2 (4)
O3—Pr—O6	72.78 (10)	C19—C18—H18	120.4
O3—Pr—O7	143.75 (11)	C17—C18—H18	120.4
O3—Pr—O9	92.33 (13)	C18—C19—C20	119.1 (4)
O4—Pr—O5	94.30 (12)	C18—C19—H19	120.4
O4—Pr—O6	78.78 (11)	C20—C19—H19	120.4
O4—Pr—O7	90.93 (13)	N5—C20—C19	122.3 (4)
O4—Pr—O9	165.17 (10)	N5—C20—H20	118.9
O5—Pr—O6	143.74 (11)	C19—C20—H20	118.9
O5—Pr—O7	72.78 (11)	O3—C21—O10	124.8 (4)
O5—Pr—O9	92.85 (12)	O3—C21—C22	118.3 (4)
O6—Pr—O7	71.81 (11)	O10—C21—C22	116.8 (3)
O6—Pr—O9	87.78 (11)	C23—C22—C24	123.4 (5)
O7—Pr—O9	78.80 (13)	C23—C22—C21	120.4 (4)
O10—Zn1—O11	97.13 (13)	C24—C22—C21	116.2 (4)
O10—Zn1—O12	89.51 (12)	C22—C23—H23A	120.0
O10—Zn1—N1	167.71 (12)	C22—C23—H23B	120.0
O10—Zn1—N2	93.27 (12)	H23A—C23—H23B	120.0
O11—Zn1—O12	154.83 (13)	C22—C24—H24A	109.5
O11—Zn1—N1	91.50 (12)	C22—C24—H24B	109.5
O11—Zn1—N2	99.69 (12)	H24A—C24—H24B	109.5
O12—Zn1—N1	86.32 (12)	C22—C24—H24C	109.5
O12—Zn1—N2	104.15 (11)	H24A—C24—H24C	109.5
N1—Zn1—N2	76.59 (12)	H24B—C24—H24C	109.5
O13—Zn2—O14	95.45 (11)	O6—C31—O12	125.2 (4)
O13—Zn2—O15	156.25 (12)	O6—C31—C32	117.1 (4)
O13—Zn2—N4	86.81 (11)	O12—C31—C32	117.6 (3)
O13—Zn2—N5	100.49 (11)	C33—C32—C34	124.2 (5)
O14—Zn2—O15	94.96 (11)	C33—C32—C31	118.0 (4)
O14—Zn2—N4	171.68 (11)	C34—C32—C31	117.8 (4)
O14—Zn2—N5	95.19 (10)	C32—C33—H33A	120.0
O15—Zn2—N4	85.96 (11)	C32—C33—H33B	120.0
O15—Zn2—N5	99.75 (13)	H33A—C33—H33B	120.0
N4—Zn2—N5	76.51 (11)	C32—C34—H34A	109.5
N3—O1—Pr	96.4 (2)	C32—C34—H34B	109.5
N3—O2—Pr	96.8 (2)	H34A—C34—H34B	109.5
C21—O3—Pr	152.2 (3)	C32—C34—H34C	109.5
C41—O4—Pr	143.4 (3)	H34A—C34—H34C	109.5
C61—O5—Pr	159.8 (3)	H34B—C34—H34C	109.5
C31—O6—Pr	138.7 (3)	O11—C41—O4	122.3 (4)
C51—O7—Pr	158.0 (3)	O11—C41—C42	117.9 (4)
C71—O9—Pr	134.8 (3)	O4—C41—C42	119.8 (4)
C21—O10—Zn1	122.3 (3)	C43—C42—C44	123.8 (4)
C41—O11—Zn1	109.3 (3)	C43—C42—C41	119.5 (4)
C31—O12—Zn1	127.0 (2)	C44—C42—C41	116.8 (4)
C51—O13—Zn2	109.5 (2)	C42—C43—H43A	120.0
C61—O14—Zn2	120.9 (2)	C42—C43—H43B	120.0
C71—O15—Zn2	122.8 (3)	H43A—C43—H43B	120.0
C1—N1—C5	118.6 (4)	C42—C44—H44A	109.5
C1—N1—Zn1	126.7 (3)	C42—C44—H44B	109.5
C5—N1—Zn1	114.4 (3)	H44A—C44—H44B	109.5
C10—N2—C6	119.1 (3)	C42—C44—H44C	109.5
C10—N2—Zn1	124.1 (3)	H44A—C44—H44C	109.5
C6—N2—Zn1	116.8 (3)	H44B—C44—H44C	109.5
O8—N3—O2	121.4 (4)	O7—C51—O13	122.6 (4)
O8—N3—O1	121.0 (4)	O7—C51—C52	119.7 (4)
O2—N3—O1	117.5 (3)	O13—C51—C52	117.6 (3)
C11—N4—C15	119.1 (3)	C53—C52—C54	122.7 (5)
C11—N4—Zn2	114.5 (2)	C53—C52—C51	119.2 (5)
C15—N4—Zn2	126.4 (2)	C54—C52—C51	118.0 (4)
C20—N5—C16	118.9 (3)	C52—C53—H53A	120.0
C20—N5—Zn2	123.9 (2)	C52—C53—H53B	120.0
C16—N5—Zn2	117.2 (2)	H53A—C53—H53B	120.0
N1—C1—C2	123.1 (5)	C52—C54—H54A	109.5
N1—C1—H1	118.4	C52—C54—H54B	109.5
C2—C1—H1	118.4	H54A—C54—H54B	109.5
C1—C2—C3	118.3 (5)	C52—C54—H54C	109.5
C1—C2—H2	120.8	H54A—C54—H54C	109.5
C3—C2—H2	120.8	H54B—C54—H54C	109.5
C4—C3—C2	119.8 (5)	O5—C61—O14	123.5 (3)
C4—C3—H3	120.1	O5—C61—C62	119.0 (3)
C2—C3—H3	120.1	O14—C61—C62	117.5 (3)
C3—C4—C5	119.0 (4)	C63—C62—C64	123.1 (4)
C3—C4—H4	120.5	C63—C62—C61	119.1 (4)
C5—C4—H4	120.5	C64—C62—C61	117.8 (4)
N1—C5—C4	121.1 (4)	C62—C63—H63A	120.0
N1—C5—C6	115.4 (3)	C62—C63—H63B	120.0
C4—C5—C6	123.5 (4)	H63A—C63—H63B	120.0
N2—C6—C7	120.5 (4)	C62—C64—H64A	109.5
N2—C6—C5	116.1 (3)	C62—C64—H64B	109.5
C7—C6—C5	123.3 (4)	H64A—C64—H64B	109.5
C8—C7—C6	119.6 (4)	C62—C64—H64C	109.5
C8—C7—H7	120.2	H64A—C64—H64C	109.5
C6—C7—H7	120.2	H64B—C64—H64C	109.5
C9—C8—C7	119.6 (4)	O9—C71—O15	124.5 (4)
C9—C8—H8	120.2	O9—C71—C72	119.7 (4)
C7—C8—H8	120.2	O15—C71—C72	115.8 (4)
C8—C9—C10	118.5 (4)	C73—C72—C71	119.7 (4)
C8—C9—H9	120.8	C73—C72—C74	122.2 (4)
C10—C9—H9	120.8	C71—C72—C74	118.1 (4)
N2—C10—C9	122.7 (4)	C72—C73—H73A	120.0
N2—C10—H10	118.6	C72—C73—H73B	120.0
C9—C10—H10	118.6	H73A—C73—H73B	120.0
N4—C11—C12	120.7 (3)	C72—C74—H74A	109.5
N4—C11—C16	115.8 (3)	C72—C74—H74B	109.5
C12—C11—C16	123.5 (3)	H74A—C74—H74B	109.5
C13—C12—C11	119.4 (4)	C72—C74—H74C	109.5
C13—C12—H12	120.3	H74A—C74—H74C	109.5
C11—C12—H12	120.3	H74B—C74—H74C	109.5
C12—C13—C14	119.9 (4)

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