Bis(2,2′-bipyridine)-1κ2N:N′;3κ2N:N′-hexa­kis­(μ-α-methyl­acrylato)-1:2κ6O:O′;2:3κ6O:O′-nitrato-2κ2O:O′-dizinc(II)neodymium(III)

Zhu, Y.; Lu, W.-M.; Ma, M.; Chen, F.

doi:10.1107/S1600536805022841

Bis(2,2′-bipyridine)-1κ²N:N′;3κ²N:N′-hexakis(μ-α-methylacrylato)-1:2κ⁶O:O′;2:3κ⁶O:O′-nitrato-2κ²O:O′-dizinc(II)neodymium(III)

The crystal structure of the title compound, [NdZn₂(C₄H₅O₂)₆(NO₃)(C₁₀H₈N₂)₂], is made up of discrete molecules of a trinuclear Zn–Nd–Zn complex, with the central Nd atom linked by three bridging bidentate α-methylacrylate groups to each of the two Zn atoms. The title complex is isostructural with its previously reported La and Pr analogues, and the Nd atom has a distorted square-antiprismatic coordination, formed by six O atoms of the bridging methylacrylate groups and two O atoms of a bidentate chelating nitro group. Both of the Zn atoms have a distorted trigonal-bipyramidal coordination, formed by three O atoms of the bridging methylacrylate groups and two N atoms of the chelating 2,2′-bipyridine ligands.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805022841/ya6253sup1.cif Contains datablocks I, global
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536805022841/ya6253Isup2.hkl Contains datablock I

CCDC reference: 216194

checkCIF report

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.009 Å
R factor = 0.039
wR factor = 0.111
Data-to-parameter ratio = 13.9

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT241_ALERT_2_A Check High      Ueq as Compared to Neighbors for         O2

Author Response: I know from checking CIF that the U(eq) value of O2 atom is higher compared with the average U(eq) for to non-hydrogen atoms bonded to it. I have confirmed that the atom type is right. Large differences may indicate that thermal motion of the O2 atom is drastic. This case also appear in the isostructural complexes of La-Zn and Pr-Zn. It's my pleasure if you let me know how to solve the problem.


Alert level B
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for         Nd
PLAT413_ALERT_2_B Short Inter XH3 .. XHn     H31C   ..  H36B    ..       1.97 Ang.

Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.98
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.97
PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature        293 K
PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature .        293 K
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.04 Ratio
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O4

PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O5

PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O6

PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        O10

PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        O11

PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        O12

PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        O14

PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        O15

PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C21
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C22
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C26
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C30
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C34
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C38
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C42
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          9
PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety        C23
PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety        C31
PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety        C44

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

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  19 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   4 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: PROCESS-AUTO (Rigaku, 1998); cell refinement: PROCESS-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)-1k²N:N';3k²N:N'-hexakis(µ-α-methylacrylato)- 1:2k⁶O:O';2:3k⁶O:O'-nitrato-2k²O:O'-dizinc(II)neodymium(III) top

Crystal data top

[NdZn₂(C₄H₅O₂)₆(NO₃)(C₁₀H₈N₂)₂]	Z = 2
M_r = 1159.84	F(000) = 1170
Triclinic, P1	D_x = 1.605 Mg m⁻³
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71069 Å
a = 11.3751 (9) Å	Cell parameters from 8348 reflections
b = 13.7258 (8) Å	θ = 2.5–27.5°
c = 16.4798 (11) Å	µ = 2.13 mm⁻¹
α = 103.903 (4)°	T = 293 K
β = 99.490 (4)°	Chunk, pink
γ = 100.168 (5)°	0.30 × 0.30 × 0.20 mm
V = 2399.9 (3) Å³

Data collection top

Rigaku R-AXIS RAPID diffractometer	8421 independent reflections
Radiation source: fine-focus sealed tube	7077 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.031
Detector resolution: 10.00 pixels mm^-1	θ_max = 25.1°, θ_min = 1.3°
ω scans	h = −13→13
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	k = −16→16
T_min = 0.568, T_max = 0.675	l = −19→19
18091 measured reflections

Refinement top

Refinement on F²	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F² > 2σ(F²)] = 0.039	H-atom parameters constrained
wR(F²) = 0.111	w = 1/[σ²(F_o²) + (0.0658P)² + 3.3948P] where P = (F_o² + 2F_c²)/3
S = 1.01	(Δ/σ)_max = 0.002
8421 reflections	Δρ_max = 0.67 e Å⁻³
605 parameters	Δρ_min = −0.77 e Å⁻³
0 restraints	Extinction correction: SHELXL97, Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.0053 (4)

Special details top

Experimental. The elemental analyses on C, H and N were performed using a Carlo-Erba 1110 Elemental Analyzer; Nd and Zn were determined by titration with edta. Calcd. for C44H46O15N5NdZn2, %: C 45.56; H 3.97; N 6.04; Nd 12.44; Zn 11.28. Found, %: C 45.55; H 4.01; N 6.14; Nd 12.26; Zn 11.35. Infrared spectra were recorded with a Nicolet 560 spectrophotometer (4000?400 cm?1) using a powdered sample spread on a KBr plate. IR spectra: ?as (COO) 1574, ?s (COO) 1408, ? (C=C) 1659, ? (C?H) 2970 cm?1.

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
Nd	0.64580 (2)	0.76273 (2)	0.257174 (16)	0.03877 (11)
Zn1	0.71145 (5)	0.90467 (4)	0.08070 (3)	0.04022 (15)
Zn2	0.71461 (5)	0.57395 (5)	0.40035 (4)	0.04550 (16)
O1	0.7974 (3)	0.7877 (3)	0.0361 (3)	0.0577 (9)
O2	0.7851 (4)	0.7598 (5)	0.1594 (3)	0.0965 (17)
O3	0.5418 (3)	0.8247 (3)	0.0198 (2)	0.0497 (8)
O4	0.5253 (3)	0.7415 (3)	0.1180 (2)	0.0635 (11)
O5	0.6568 (3)	1.0052 (3)	0.1702 (3)	0.0634 (10)
O6	0.7194 (4)	0.9423 (3)	0.2780 (3)	0.0749 (12)
O7	0.4688 (4)	0.8529 (3)	0.2777 (3)	0.0667 (11)
O8	0.4227 (3)	0.6895 (3)	0.2615 (3)	0.0641 (11)
O9	0.2826 (4)	0.7771 (5)	0.2732 (4)	0.105 (2)
O10	0.6367 (4)	0.7876 (4)	0.4046 (2)	0.0691 (11)
O11	0.6194 (4)	0.6611 (3)	0.4671 (3)	0.0632 (10)
O12	0.8449 (3)	0.7616 (4)	0.3335 (3)	0.0696 (11)
O13	0.8640 (3)	0.6927 (3)	0.4423 (3)	0.0605 (10)
O14	0.6278 (4)	0.5829 (3)	0.2393 (3)	0.0709 (12)
O15	0.5678 (4)	0.4760 (3)	0.3120 (3)	0.0651 (10)
N1	0.7336 (4)	0.9912 (3)	−0.0069 (3)	0.0435 (9)
N2	0.8953 (3)	1.0039 (3)	0.1327 (3)	0.0450 (9)
N3	0.8368 (4)	0.4789 (3)	0.3547 (3)	0.0512 (10)
N4	0.7356 (4)	0.4870 (3)	0.4888 (3)	0.0468 (10)
N5	0.3888 (4)	0.7736 (5)	0.2708 (3)	0.0674 (14)
C1	0.6460 (5)	0.9830 (4)	−0.0752 (3)	0.0512 (12)
H1	0.5707	0.9379	−0.0839	0.061*
C2	0.6643 (6)	1.0393 (5)	−0.1326 (4)	0.0627 (15)
H2	0.6018	1.0335	−0.1789	0.075*
C3	0.7758 (6)	1.1037 (5)	−0.1205 (4)	0.0625 (15)
H3	0.7905	1.1417	−0.1590	0.075*
C4	0.8663 (5)	1.1120 (4)	−0.0508 (4)	0.0545 (13)
H4	0.9430	1.1548	−0.0423	0.065*
C5	0.8422 (4)	1.0561 (3)	0.0062 (3)	0.0418 (11)
C6	0.9325 (4)	1.0643 (4)	0.0854 (3)	0.0411 (10)
C7	1.0478 (5)	1.1297 (4)	0.1101 (4)	0.0529 (13)
H7	1.0735	1.1704	0.0758	0.064*
C8	1.1230 (5)	1.1339 (5)	0.1847 (4)	0.0627 (15)
H8	1.2004	1.1777	0.2017	0.075*
C9	1.0850 (5)	1.0737 (5)	0.2346 (4)	0.0618 (15)
H9	1.1349	1.0765	0.2862	0.074*
C10	0.9701 (5)	1.0084 (5)	0.2062 (4)	0.0567 (14)
H10	0.9438	0.9662	0.2392	0.068*
C11	0.8848 (6)	0.4781 (5)	0.2861 (4)	0.0681 (16)
H11	0.8575	0.5157	0.2498	0.082*
C12	0.9722 (7)	0.4248 (6)	0.2660 (5)	0.086 (2)
H12	1.0025	0.4253	0.2169	0.103*
C13	1.0134 (6)	0.3711 (6)	0.3204 (5)	0.085 (2)
H13	1.0734	0.3349	0.3092	0.102*
C14	0.9660 (6)	0.3711 (5)	0.3915 (4)	0.0672 (16)
H14	0.9938	0.3352	0.4292	0.081*
C15	0.8765 (5)	0.4248 (4)	0.4067 (4)	0.0512 (12)
C16	0.8155 (4)	0.4264 (4)	0.4801 (3)	0.0484 (12)
C17	0.8363 (6)	0.3680 (5)	0.5366 (4)	0.0687 (17)
H17	0.8933	0.3271	0.5313	0.082*
C18	0.7721 (7)	0.3708 (6)	0.6007 (5)	0.080 (2)
H18	0.7854	0.3320	0.6391	0.096*
C19	0.6889 (6)	0.4309 (5)	0.6073 (4)	0.0703 (17)
H19	0.6431	0.4327	0.6493	0.084*
C20	0.6741 (5)	0.4885 (5)	0.5511 (4)	0.0611 (15)
H20	0.6187	0.5307	0.5565	0.073*
C21	0.8199 (4)	0.7417 (4)	0.0910 (3)	0.0499 (12)
C22	0.8990 (5)	0.6648 (5)	0.0743 (4)	0.0631 (15)
C23	0.9061 (7)	0.6213 (5)	−0.0122 (5)	0.0782 (19)
H23A	0.8504	0.6442	−0.0500	0.117*
H23B	0.8846	0.5475	−0.0257	0.117*
H23C	0.9879	0.6431	−0.0190	0.117*
C24	0.9670 (9)	0.6462 (8)	0.1437 (7)	0.125 (4)
H24A	1.0213	0.6033	0.1357	0.150*
H24B	0.9587	0.6767	0.1987	0.150*
C25	0.4835 (4)	0.7611 (4)	0.0509 (3)	0.0424 (11)
C26	0.3560 (5)	0.7078 (4)	0.0030 (4)	0.0524 (13)
C27	0.3112 (6)	0.7308 (6)	−0.0768 (4)	0.0766 (19)
H27A	0.3745	0.7788	−0.0881	0.115*
H27B	0.2413	0.7603	−0.0721	0.115*
H27C	0.2883	0.6684	−0.1229	0.115*
C28	0.2882 (6)	0.6421 (6)	0.0356 (5)	0.088 (2)
H28A	0.2084	0.6088	0.0068	0.106*
H28B	0.3212	0.6302	0.0868	0.106*
C29	0.6821 (4)	1.0102 (4)	0.2487 (4)	0.0521 (13)
C30	0.6698 (5)	1.1059 (4)	0.3091 (4)	0.0541 (13)
C31	0.6561 (7)	1.1942 (5)	0.2746 (5)	0.083 (2)
H31A	0.6588	1.1764	0.2151	0.125*
H31B	0.7214	1.2526	0.3055	0.125*
H31C	0.5791	1.2111	0.2810	0.125*
C32	0.6696 (6)	1.1093 (7)	0.3907 (4)	0.085 (2)
H32A	0.6605	1.1687	0.4282	0.102*
H32B	0.6785	1.0522	0.4102	0.102*
C33	0.6232 (4)	0.7524 (5)	0.4668 (3)	0.0496 (12)
C34	0.6119 (5)	0.8255 (5)	0.5471 (4)	0.0576 (14)
C35	0.6077 (8)	0.9233 (6)	0.5502 (6)	0.104 (3)
H35A	0.6008	0.9679	0.6006	0.125*
H35B	0.6118	0.9465	0.5019	0.125*
C36	0.6059 (7)	0.7831 (7)	0.6208 (4)	0.092 (2)
H36A	0.6111	0.7123	0.6050	0.137*
H36B	0.5299	0.7878	0.6379	0.137*
H36C	0.6727	0.8217	0.6676	0.137*
C37	0.8960 (4)	0.7606 (4)	0.4064 (3)	0.0480 (12)
C38	1.0030 (5)	0.8466 (4)	0.4537 (4)	0.0572 (14)
C39	1.0829 (7)	0.8906 (6)	0.4036 (6)	0.094 (2)
H39A	1.0542	0.8539	0.3440	0.140*
H39B	1.1651	0.8847	0.4227	0.140*
H39C	1.0814	0.9619	0.4113	0.140*
C40	1.0197 (7)	0.8806 (5)	0.5397 (5)	0.084 (2)
H40A	0.9652	0.8505	0.5677	0.100*
H40B	1.0858	0.9342	0.5709	0.100*
C41	0.5595 (5)	0.5031 (4)	0.2445 (4)	0.0511 (12)
C42	0.4676 (5)	0.4342 (4)	0.1674 (3)	0.0510 (12)
C43	0.4632 (7)	0.4547 (5)	0.0923 (4)	0.0756 (18)
H43A	0.4084	0.4105	0.0438	0.091*
H43B	0.5148	0.5131	0.0883	0.091*
C44	0.3894 (7)	0.3440 (6)	0.1789 (5)	0.090 (2)
H44A	0.4074	0.3443	0.2380	0.135*
H44B	0.4045	0.2825	0.1441	0.135*
H44C	0.3051	0.3459	0.1621	0.135*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Nd	0.04006 (15)	0.04404 (17)	0.03887 (16)	0.01091 (11)	0.00957 (10)	0.02226 (11)
Zn1	0.0384 (3)	0.0422 (3)	0.0419 (3)	0.0051 (2)	0.0090 (2)	0.0180 (2)
Zn2	0.0459 (3)	0.0501 (3)	0.0435 (3)	0.0123 (3)	0.0036 (2)	0.0216 (3)
O1	0.062 (2)	0.050 (2)	0.065 (2)	0.0165 (18)	0.0152 (19)	0.0196 (19)
O2	0.061 (3)	0.171 (5)	0.057 (3)	0.027 (3)	0.028 (2)	0.020 (3)
O3	0.0448 (18)	0.055 (2)	0.047 (2)	0.0014 (16)	0.0054 (15)	0.0212 (17)
O4	0.058 (2)	0.084 (3)	0.047 (2)	0.001 (2)	0.0019 (17)	0.031 (2)
O5	0.054 (2)	0.074 (3)	0.055 (3)	0.0147 (19)	0.0124 (18)	0.004 (2)
O6	0.062 (2)	0.054 (2)	0.117 (4)	0.012 (2)	0.024 (2)	0.037 (3)
O7	0.065 (2)	0.076 (3)	0.082 (3)	0.030 (2)	0.026 (2)	0.047 (2)
O8	0.054 (2)	0.078 (3)	0.079 (3)	0.018 (2)	0.023 (2)	0.049 (2)
O9	0.060 (3)	0.178 (6)	0.138 (5)	0.060 (3)	0.053 (3)	0.114 (5)
O10	0.081 (3)	0.099 (3)	0.050 (2)	0.045 (2)	0.025 (2)	0.038 (2)
O11	0.070 (2)	0.060 (2)	0.070 (3)	0.022 (2)	0.028 (2)	0.022 (2)
O12	0.050 (2)	0.104 (3)	0.058 (3)	0.022 (2)	0.0047 (18)	0.030 (2)
O13	0.051 (2)	0.052 (2)	0.079 (3)	0.0107 (17)	−0.0007 (19)	0.029 (2)
O14	0.058 (2)	0.042 (2)	0.107 (4)	0.0097 (18)	0.015 (2)	0.014 (2)
O15	0.065 (2)	0.070 (3)	0.052 (2)	0.015 (2)	−0.0086 (18)	0.015 (2)
N1	0.043 (2)	0.044 (2)	0.049 (2)	0.0123 (18)	0.0113 (18)	0.0195 (19)
N2	0.038 (2)	0.049 (2)	0.047 (2)	0.0036 (18)	0.0094 (18)	0.0168 (19)
N3	0.048 (2)	0.054 (3)	0.050 (3)	0.011 (2)	0.0064 (19)	0.014 (2)
N4	0.046 (2)	0.050 (2)	0.046 (2)	0.0081 (19)	0.0046 (18)	0.022 (2)
N5	0.053 (3)	0.109 (4)	0.073 (3)	0.035 (3)	0.029 (2)	0.064 (3)
C1	0.047 (3)	0.056 (3)	0.055 (3)	0.014 (2)	0.008 (2)	0.025 (3)
C2	0.065 (3)	0.073 (4)	0.066 (4)	0.028 (3)	0.012 (3)	0.040 (3)
C3	0.079 (4)	0.064 (4)	0.063 (4)	0.024 (3)	0.024 (3)	0.040 (3)
C4	0.062 (3)	0.050 (3)	0.060 (3)	0.012 (3)	0.023 (3)	0.024 (3)
C5	0.044 (2)	0.035 (2)	0.050 (3)	0.009 (2)	0.015 (2)	0.015 (2)
C6	0.042 (2)	0.038 (2)	0.044 (3)	0.007 (2)	0.014 (2)	0.011 (2)
C7	0.048 (3)	0.047 (3)	0.064 (3)	0.003 (2)	0.017 (3)	0.018 (3)
C8	0.048 (3)	0.062 (4)	0.065 (4)	−0.007 (3)	0.009 (3)	0.011 (3)
C9	0.047 (3)	0.071 (4)	0.055 (3)	0.000 (3)	0.001 (2)	0.011 (3)
C10	0.046 (3)	0.072 (4)	0.052 (3)	0.003 (3)	0.008 (2)	0.026 (3)
C11	0.069 (4)	0.086 (5)	0.057 (4)	0.026 (3)	0.020 (3)	0.024 (3)
C12	0.086 (5)	0.105 (6)	0.062 (4)	0.024 (4)	0.028 (4)	0.004 (4)
C13	0.070 (4)	0.083 (5)	0.092 (6)	0.032 (4)	0.012 (4)	−0.001 (4)
C14	0.065 (4)	0.062 (4)	0.074 (4)	0.026 (3)	0.007 (3)	0.013 (3)
C15	0.047 (3)	0.041 (3)	0.058 (3)	0.007 (2)	−0.002 (2)	0.012 (2)
C16	0.045 (3)	0.040 (3)	0.056 (3)	0.005 (2)	−0.002 (2)	0.019 (2)
C17	0.073 (4)	0.054 (3)	0.083 (5)	0.019 (3)	0.000 (3)	0.034 (3)
C18	0.091 (5)	0.081 (5)	0.080 (5)	0.008 (4)	0.009 (4)	0.055 (4)
C19	0.070 (4)	0.085 (5)	0.066 (4)	0.009 (3)	0.020 (3)	0.044 (4)
C20	0.053 (3)	0.071 (4)	0.065 (4)	0.009 (3)	0.011 (3)	0.035 (3)
C21	0.039 (2)	0.057 (3)	0.050 (3)	0.005 (2)	0.013 (2)	0.011 (3)
C22	0.064 (3)	0.056 (3)	0.088 (5)	0.019 (3)	0.031 (3)	0.040 (3)
C23	0.088 (5)	0.058 (4)	0.099 (5)	0.025 (3)	0.042 (4)	0.022 (4)
C24	0.154 (9)	0.151 (9)	0.116 (8)	0.093 (8)	0.035 (7)	0.078 (7)
C25	0.039 (2)	0.049 (3)	0.039 (3)	0.009 (2)	0.007 (2)	0.015 (2)
C26	0.044 (3)	0.051 (3)	0.055 (3)	0.004 (2)	0.005 (2)	0.009 (2)
C27	0.053 (3)	0.101 (5)	0.062 (4)	0.007 (3)	−0.013 (3)	0.023 (4)
C28	0.054 (4)	0.086 (5)	0.120 (6)	−0.012 (3)	0.006 (4)	0.048 (5)
C29	0.036 (2)	0.054 (3)	0.064 (4)	0.001 (2)	0.016 (2)	0.016 (3)
C30	0.048 (3)	0.055 (3)	0.054 (3)	0.007 (2)	0.004 (2)	0.014 (3)
C31	0.095 (5)	0.056 (4)	0.088 (5)	0.011 (4)	0.010 (4)	0.012 (4)
C32	0.085 (5)	0.110 (6)	0.061 (4)	0.032 (4)	0.015 (4)	0.019 (4)
C33	0.043 (3)	0.071 (4)	0.040 (3)	0.020 (2)	0.010 (2)	0.020 (3)
C34	0.056 (3)	0.070 (4)	0.050 (3)	0.016 (3)	0.016 (2)	0.019 (3)
C35	0.129 (7)	0.076 (5)	0.120 (7)	0.031 (5)	0.069 (6)	0.020 (5)
C36	0.105 (6)	0.127 (7)	0.046 (4)	0.030 (5)	0.023 (4)	0.023 (4)
C37	0.038 (2)	0.053 (3)	0.055 (3)	0.019 (2)	0.006 (2)	0.016 (3)
C38	0.049 (3)	0.047 (3)	0.075 (4)	0.013 (2)	0.004 (3)	0.020 (3)
C39	0.078 (5)	0.084 (5)	0.122 (7)	0.008 (4)	0.019 (4)	0.044 (5)
C40	0.086 (5)	0.058 (4)	0.084 (5)	0.009 (3)	−0.018 (4)	0.007 (3)
C41	0.047 (3)	0.045 (3)	0.060 (3)	0.017 (2)	0.005 (2)	0.014 (3)
C42	0.054 (3)	0.050 (3)	0.047 (3)	0.013 (2)	0.003 (2)	0.014 (2)
C43	0.095 (5)	0.076 (4)	0.057 (4)	0.020 (4)	0.010 (3)	0.023 (3)
C44	0.094 (5)	0.081 (5)	0.073 (5)	−0.023 (4)	−0.003 (4)	0.023 (4)

Geometric parameters (Å, º) top

Nd—O2	2.438 (4)	C13—C14	1.369 (10)
Nd—O4	2.393 (4)	C13—H13	0.9300
Nd—O6	2.380 (4)	C14—C15	1.379 (8)
Nd—O7	2.570 (4)	C14—H14	0.9300
Nd—O8	2.579 (4)	C15—C16	1.488 (8)
Nd—O10	2.393 (4)	C16—C17	1.385 (7)
Nd—O12	2.407 (4)	C17—C18	1.377 (10)
Nd—O14	2.382 (4)	C17—H17	0.9300
Zn1—O1	2.073 (4)	C18—C19	1.363 (10)
Zn1—O3	2.005 (3)	C18—H18	0.9300
Zn1—O5	2.024 (4)	C19—C20	1.363 (8)
Zn1—N1	2.097 (4)	C19—H19	0.9300
Zn1—N2	2.192 (4)	C20—H20	0.9300
Zn2—O11	2.008 (4)	C21—C22	1.509 (8)
Zn2—O13	2.029 (4)	C22—C24	1.375 (10)
Zn2—O15	2.045 (4)	C22—C23	1.428 (9)
Zn2—N3	2.171 (5)	C23—H23A	0.9600
Zn2—N4	2.104 (4)	C23—H23B	0.9600
O1—C21	1.241 (6)	C23—H23C	0.9600
O2—C21	1.238 (7)	C24—H24A	0.9300
O3—C25	1.259 (5)	C24—H24B	0.9300
O4—C25	1.240 (6)	C25—C26	1.494 (7)
O5—C29	1.260 (7)	C26—C28	1.349 (8)
O6—C29	1.254 (7)	C26—C27	1.458 (8)
O7—N5	1.258 (6)	C27—H27A	0.9600
O8—N5	1.263 (7)	C27—H27B	0.9600
O9—N5	1.225 (6)	C27—H27C	0.9600
O10—C33	1.254 (6)	C28—H28A	0.9300
O11—C33	1.249 (7)	C28—H28B	0.9300
O12—C37	1.250 (6)	C29—C30	1.490 (8)
O13—C37	1.251 (6)	C30—C32	1.336 (9)
O14—C41	1.256 (6)	C30—C31	1.478 (9)
O15—C41	1.249 (7)	C31—H31A	0.9600
N1—C5	1.341 (6)	C31—H31B	0.9600
N1—C1	1.342 (6)	C31—H31C	0.9600
N2—C6	1.330 (6)	C32—H32A	0.9300
N2—C10	1.342 (7)	C32—H32B	0.9300
N3—C15	1.337 (7)	C33—C34	1.497 (8)
N3—C11	1.333 (7)	C34—C35	1.340 (10)
N4—C16	1.339 (7)	C34—C36	1.473 (8)
N4—C20	1.332 (7)	C35—H35A	0.9300
C1—C2	1.377 (7)	C35—H35B	0.9300
C1—H1	0.9300	C36—H36A	0.9600
C2—C3	1.366 (8)	C36—H36B	0.9600
C2—H2	0.9300	C36—H36C	0.9600
C3—C4	1.378 (8)	C37—C38	1.491 (7)
C3—H3	0.9300	C38—C40	1.350 (9)
C4—C5	1.379 (7)	C38—C39	1.472 (9)
C4—H4	0.9300	C39—H39A	0.9600
C5—C6	1.489 (7)	C39—H39B	0.9600
C6—C7	1.387 (7)	C39—H39C	0.9600
C7—C8	1.359 (8)	C40—H40A	0.9300
C7—H7	0.9300	C40—H40B	0.9300
C8—C9	1.366 (8)	C41—C42	1.495 (7)
C8—H8	0.9300	C42—C43	1.328 (8)
C9—C10	1.383 (7)	C42—C44	1.463 (8)
C9—H9	0.9300	C43—H43A	0.9300
C10—H10	0.9300	C43—H43B	0.9300
C11—C12	1.372 (10)	C44—H44A	0.9600
C11—H11	0.9300	C44—H44B	0.9600
C12—C13	1.367 (11)	C44—H44C	0.9600
C12—H12	0.9300

O2—Nd—O4	72.96 (15)	C14—C13—H13	120.2
O2—Nd—O6	79.27 (19)	C12—C13—H13	120.2
O2—Nd—O7	133.17 (17)	C13—C14—C15	119.3 (6)
O2—Nd—O8	141.40 (16)	C13—C14—H14	120.3
O2—Nd—O10	143.61 (15)	C15—C14—H14	120.3
O2—Nd—O12	71.50 (16)	N3—C15—C14	121.6 (6)
O2—Nd—O14	89.97 (19)	N3—C15—C16	114.8 (5)
O4—Nd—O6	92.39 (15)	C14—C15—C16	123.6 (5)
O4—Nd—O7	72.58 (15)	N4—C16—C17	120.4 (5)
O4—Nd—O8	73.61 (13)	N4—C16—C15	116.3 (4)
O4—Nd—O10	143.20 (14)	C17—C16—C15	123.3 (5)
O4—Nd—O12	143.86 (14)	C16—C17—C18	119.5 (6)
O4—Nd—O14	94.60 (15)	C16—C17—H17	120.2
O6—Nd—O7	71.52 (14)	C18—C17—H17	120.2
O6—Nd—O8	120.90 (14)	C19—C18—C17	119.3 (6)
O6—Nd—O10	92.15 (17)	C19—C18—H18	120.3
O6—Nd—O12	87.37 (16)	C17—C18—H18	120.3
O6—Nd—O14	164.87 (14)	C18—C19—C20	118.5 (6)
O7—Nd—O8	49.40 (14)	C18—C19—H19	120.7
O7—Nd—O10	74.37 (13)	C20—C19—H19	120.7
O7—Nd—O12	139.97 (15)	N4—C20—C19	123.0 (6)
O7—Nd—O14	123.43 (14)	N4—C20—H20	118.5
O8—Nd—O10	72.79 (14)	C19—C20—H20	118.5
O8—Nd—O12	135.72 (13)	O1—C21—O2	122.9 (6)
O8—Nd—O14	74.04 (14)	O1—C21—C22	117.3 (5)
O10—Nd—O12	72.84 (14)	O2—C21—C22	119.7 (6)
O10—Nd—O14	90.28 (16)	C24—C22—C23	123.7 (7)
O12—Nd—O14	79.08 (15)	C24—C22—C21	117.9 (7)
O1—Zn1—O3	95.52 (15)	C23—C22—C21	118.2 (6)
O1—Zn1—O5	155.69 (17)	C22—C23—H23A	109.5
O1—Zn1—N1	100.83 (15)	C22—C23—H23B	109.5
O1—Zn1—N2	86.54 (16)	H23A—C23—H23B	109.5
O3—Zn1—O5	95.04 (15)	C22—C23—H23C	109.5
O3—Zn1—N1	95.45 (14)	H23A—C23—H23C	109.5
O3—Zn1—N2	171.61 (14)	H23B—C23—H23C	109.5
O5—Zn1—N1	99.89 (17)	C22—C24—H24A	120.0
O5—Zn1—N2	86.19 (16)	C22—C24—H24B	120.0
N1—Zn1—N2	76.16 (15)	H24A—C24—H24B	120.0
O11—Zn2—O13	89.89 (17)	O4—C25—O3	124.0 (4)
O11—Zn2—O15	96.83 (18)	O4—C25—C26	119.1 (4)
O11—Zn2—N3	167.84 (17)	O3—C25—C26	116.8 (4)
O11—Zn2—N4	93.33 (17)	C28—C26—C27	123.4 (5)
O13—Zn2—O15	155.01 (17)	C28—C26—C25	119.0 (5)
O13—Zn2—N3	86.48 (16)	C27—C26—C25	117.6 (5)
O13—Zn2—N4	104.27 (15)	C26—C27—H27A	109.5
O15—Zn2—N3	91.29 (17)	C26—C27—H27B	109.5
O15—Zn2—N4	99.36 (16)	H27A—C27—H27B	109.5
N3—Zn2—N4	76.38 (17)	C26—C27—H27C	109.5
C21—O1—Zn1	110.6 (3)	H27A—C27—H27C	109.5
C21—O2—Nd	158.9 (4)	H27B—C27—H27C	109.5
C25—O3—Zn1	120.3 (3)	C26—C28—H28A	120.0
C25—O4—Nd	160.3 (4)	C26—C28—H28B	120.0
C29—O5—Zn1	122.5 (4)	H28A—C28—H28B	120.0
C29—O6—Nd	135.4 (4)	O6—C29—O5	124.5 (6)
N5—O7—Nd	97.0 (3)	O6—C29—C30	119.2 (5)
N5—O8—Nd	96.4 (3)	O5—C29—C30	116.3 (5)
C33—O10—Nd	150.8 (4)	C32—C30—C31	122.4 (6)
C33—O11—Zn2	122.3 (3)	C32—C30—C29	120.1 (6)
C37—O12—Nd	139.1 (3)	C31—C30—C29	117.5 (5)
C37—O13—Zn2	127.5 (3)	C30—C31—H31A	109.5
C41—O14—Nd	143.3 (4)	C30—C31—H31B	109.5
C41—O15—Zn2	108.4 (4)	H31A—C31—H31B	109.5
C5—N1—C1	119.4 (4)	C30—C31—H31C	109.5
C5—N1—Zn1	117.3 (3)	H31A—C31—H31C	109.5
C1—N1—Zn1	123.3 (3)	H31B—C31—H31C	109.5
C6—N2—C10	119.1 (4)	C30—C32—H32A	120.0
C6—N2—Zn1	115.0 (3)	C30—C32—H32B	120.0
C10—N2—Zn1	125.9 (3)	H32A—C32—H32B	120.0
C15—N3—C11	118.0 (5)	O11—C33—O10	125.0 (5)
C15—N3—Zn2	115.1 (4)	O11—C33—C34	117.4 (5)
C11—N3—Zn2	126.5 (4)	O10—C33—C34	117.7 (5)
C16—N4—C20	119.1 (5)	C35—C34—C36	123.2 (7)
C16—N4—Zn2	116.7 (3)	C35—C34—C33	120.9 (6)
C20—N4—Zn2	124.1 (4)	C36—C34—C33	115.9 (6)
O9—N5—O7	121.8 (6)	C34—C35—H35A	120.0
O9—N5—O8	121.0 (6)	C34—C35—H35B	120.0
O7—N5—O8	117.2 (4)	H35A—C35—H35B	120.0
N1—C1—C2	121.9 (5)	C34—C36—H36A	109.5
N1—C1—H1	119.0	C34—C36—H36B	109.5
C2—C1—H1	119.0	H36A—C36—H36B	109.5
C1—C2—C3	118.9 (5)	C34—C36—H36C	109.5
C1—C2—H2	120.6	H36A—C36—H36C	109.5
C3—C2—H2	120.6	H36B—C36—H36C	109.5
C4—C3—C2	119.4 (5)	O13—C37—O12	124.9 (5)
C4—C3—H3	120.3	O13—C37—C38	117.8 (5)
C2—C3—H3	120.3	O12—C37—C38	117.3 (5)
C5—C4—C3	119.4 (5)	C40—C38—C37	118.2 (6)
C5—C4—H4	120.3	C40—C38—C39	124.0 (6)
C3—C4—H4	120.3	C37—C38—C39	117.9 (6)
N1—C5—C4	120.9 (5)	C38—C39—H39A	109.5
N1—C5—C6	116.1 (4)	C38—C39—H39B	109.5
C4—C5—C6	123.0 (4)	H39A—C39—H39B	109.5
N2—C6—C7	121.0 (5)	C38—C39—H39C	109.5
N2—C6—C5	115.3 (4)	H39A—C39—H39C	109.5
C7—C6—C5	123.8 (4)	H39B—C39—H39C	109.5
C8—C7—C6	119.6 (5)	C38—C40—H40A	120.0
C8—C7—H7	120.2	C38—C40—H40B	120.0
C6—C7—H7	120.2	H40A—C40—H40B	120.0
C7—C8—C9	119.9 (5)	O14—C41—O15	122.3 (5)
C7—C8—H8	120.0	O14—C41—C42	120.2 (5)
C9—C8—H8	120.0	O15—C41—C42	117.5 (5)
C8—C9—C10	118.1 (5)	C43—C42—C44	123.2 (6)
C8—C9—H9	120.9	C43—C42—C41	119.7 (5)
C10—C9—H9	120.9	C44—C42—C41	117.0 (5)
N2—C10—C9	122.3 (5)	C42—C43—H43A	120.0
N2—C10—H10	118.9	C42—C43—H43B	120.0
C9—C10—H10	118.9	H43A—C43—H43B	120.0
N3—C11—C12	123.7 (6)	C42—C44—H44A	109.5
N3—C11—H11	118.2	C42—C44—H44B	109.5
C12—C11—H11	118.2	H44A—C44—H44B	109.5
C11—C12—C13	117.8 (7)	C42—C44—H44C	109.5
C11—C12—H12	121.1	H44A—C44—H44C	109.5
C13—C12—H12	121.1	H44B—C44—H44C	109.5
C14—C13—C12	119.6 (7)

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Bis(2,2′-bipyridine)-1κ2N:N′;3κ2N:N′-hexa­kis­(μ-α-methyl­acrylato)-1:2κ6O:O′;2:3κ6O:O′-nitrato-2κ2O:O′-dizinc(II)neodymium(III)

Supporting information

Key indicators

checkCIF/PLATON results

Bis(2,2′-bipyridine)-1κ²N:N′;3κ²N:N′-hexakis(μ-α-methylacrylato)-1:2κ⁶O:O′;2:3κ⁶O:O′-nitrato-2κ²O:O′-dizinc(II)neodymium(III)