Di-μ-trans-2-butenoato-κ3O,O,O′-di-μ-trans-2-butenoato-κ2O,O′-bis­[(trans-2-butenoato-κ2O,O′)(1,10-phenanthroline-κ2N,N′)­dysprosium(III)] dihydrate

Baggio, R.; Perec, M.; Garland, M.T.

doi:10.1107/S1600536803025352

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Di-μ-trans-2-butenoato-κ³O,O,O′-di-μ-trans-2-butenoato-κ²O,O′-bis[(trans-2-butenoato-κ²O,O′)(1,10-phenanthroline-κ²N,N′)dysprosium(III)] dihydrate

R. Baggio, M. Perec and M. T. Garland

The title compound, [Dy₂(C₄H₅O₂)₆(C₁₂H₈N₂)₂]·2H₂O, crystallizes as dimeric units with an inversion center. Each Dy atom is nine-coordinate, by seven O atoms from trans-2-butenoate groups and two N atoms from a phenanthroline molecule. The dimer is quadruply bridged by trans-2-butenoates (two η¹:η¹:μ₂ and two η²:η¹:μ₂ bridges). The intradimer Dy

Dy separation is 3.9003 (5) Å.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803025352/wk6001sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536803025352/wk6001Isup2.hkl Contains datablock I

CCDC reference: 227747

checkCIF report

Key indicators

Single-crystal X-ray study
T = 297 K
Mean (C-C) = 0.008 Å
H-atom completeness 93%
Disorder in solvent or counterion
R factor = 0.036
wR factor = 0.092
Data-to-parameter ratio = 14.8

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT430_ALERT_2_A Short Inter D...A Contact  O1WA   ..  O1WA     =       1.99 Ang.

Alert level B
PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low .......       0.99
PLAT430_ALERT_2_B Short Inter D...A Contact  O1A    ..  O1WA     =       2.62 Ang.
PLAT430_ALERT_2_B Short Inter D...A Contact  O1WB   ..  O2A      =       2.83 Ang.

Alert level C
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)...          ?
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....        O1A
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....        O2A
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....        C1A
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....         Dy
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....       C2A'
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....       C2A"
PLAT301_ALERT_3_C Main Residue  Disorder .........................       8.00 Perc.
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      50.00 Perc.
PLAT311_ALERT_2_C Isolated Disordered Oxygen Atom (No H's ?) .....      >O1WB
PLAT311_ALERT_2_C Isolated Disordered Oxygen Atom (No H's ?) .....      <O1WA
PLAT430_ALERT_2_C Short Inter D...A Contact  O1A    ..  O1WA     =       2.89 Ang.
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........         28
PLAT764_ALERT_4_C Overcomplete CIF Bond list Detected (Rep/Expd) .       1.12 Ratio

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:C48 H50 Dy2 N4 O14
            Atom count from the _atom_site data:  C48 H46 Dy2 N4 O14
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    1
           From the CIF: _chemical_formula_sum  C48 H50 Dy2 N4 O14
           TEST: Compare cell contents of formula and atom_site data

           atom    Z*formula  cif sites diff
           C         48.00     48.00    0.00
           H         50.00     46.00    4.00
           Dy         2.00      2.00    0.00
           N          4.00      4.00    0.00
           O         14.00     14.00    0.00

   1 ALERT level A = In general: serious problem
   3 ALERT level B = Potentially serious problem
  17 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
  13 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: SMART-NT (Bruker, 2001); cell refinement: SMART-NT; data reduction: SAINT-NT (Bruker, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL-PC (Sheldrick, 1994); software used to prepare material for publication: SHELXL97.

Di-µ-trans-2-butenoato-κ³O,O,O'-di-µ-trans-2-butenoato-κ²O,O'- bis[(trans-2-butenoato-κ²O,O')(1,10-phenanthroline- κ²N,N')dysprosium(III)] dihydrate top

Crystal data top

[Dy₂(C₄H₅O₂)₆(C₁₂H₈N₂)₂]·2H₂O	Z = 1
M_r = 1231.92	F(000) = 610
Triclinic, P1	D_x = 1.685 Mg m⁻³
a = 10.5490 (8) Å	Mo Kα radiation, λ = 0.71073 Å
b = 10.9773 (9) Å	Cell parameters from 217 reflections
c = 11.4134 (9) Å	θ = 2.1–22.9°
α = 78.991 (1)°	µ = 3.12 mm⁻¹
β = 71.723 (1)°	T = 297 K
γ = 77.354 (1)°	Blocks, colorless
V = 1213.83 (17) Å³	0.32 × 0.24 × 0.12 mm

Data collection top

Bruker SMART APEX CCD area-detector diffractometer	5166 independent reflections
Radiation source: fine-focus sealed tube	4598 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.025
φ and ω scans	θ_max = 27.9°, θ_min = 1.9°
Absorption correction: multi-scan (SADABS in SAINT-NT; Bruker, 2002)	h = −13→13
T_min = 0.42, T_max = 0.69	k = −14→14
9966 measured reflections	l = −14→14

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)] = 0.036	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.092	H-atom parameters constrained
S = 1.02	w = 1/[σ²(F_o²) + (0.0535P)² + 0.5535P] where P = (F_o² + 2F_c²)/3
5166 reflections	(Δ/σ)_max = 0.011
350 parameters	Δρ_max = 1.54 e Å⁻³
9 restraints	Δρ_min = −0.84 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.

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

	x	y	z	U_iso*/U_eq	Occ. (<1)
Dy	0.99541 (2)	0.137913 (18)	0.864606 (18)	0.03210 (9)
O1A	0.9033 (6)	0.0943 (5)	0.7063 (4)	0.0742 (14)
O2A	0.7797 (4)	0.2347 (4)	0.8232 (5)	0.0704 (13)
C1A	0.7949 (8)	0.1668 (8)	0.7406 (7)	0.073 (2)
C2A'	0.7059 (18)	0.1478 (14)	0.6657 (12)	0.041 (4)	0.52 (3)
H2AA	0.7395	0.0995	0.6004	0.049*	0.52 (3)
C3A'	0.580 (2)	0.2030 (18)	0.6982 (14)	0.057 (5)	0.52 (3)
H3AA	0.5528	0.2523	0.7625	0.069*	0.52 (3)
C4A'	0.476 (3)	0.192 (3)	0.639 (4)	0.080 (7)	0.52 (3)
H4AD	0.4060	0.1527	0.7000	0.121*	0.52 (3)
H4AE	0.5177	0.1429	0.5720	0.121*	0.52 (3)
H4AF	0.4375	0.2750	0.6078	0.121*	0.52 (3)
C2A"	0.650 (2)	0.2008 (16)	0.7176 (18)	0.054 (6)	0.48 (3)
H2AB	0.5848	0.2659	0.7521	0.065*	0.48 (3)
C3A"	0.631 (2)	0.136 (2)	0.651 (2)	0.068 (7)	0.48 (3)
H3AB	0.7043	0.0778	0.6143	0.082*	0.48 (3)
C4A"	0.498 (4)	0.139 (3)	0.623 (4)	0.081 (8)	0.48 (3)
H4AA	0.5121	0.1532	0.5342	0.121*	0.48 (3)
H4AB	0.4312	0.2066	0.6597	0.121*	0.48 (3)
H4AC	0.4663	0.0607	0.6563	0.121*	0.48 (3)
O1B	1.1888 (4)	0.1906 (3)	0.9016 (3)	0.0445 (8)
O2B	1.1175 (3)	0.0278 (3)	1.0299 (3)	0.0394 (7)
C1B	1.1990 (5)	0.1068 (5)	0.9910 (5)	0.0393 (11)
C2B	1.3023 (5)	0.0986 (5)	1.0572 (5)	0.0445 (12)
H2BA	1.3067	0.0339	1.1223	0.053*
C3B	1.3875 (5)	0.1777 (5)	1.0286 (5)	0.0474 (12)
H3BA	1.3818	0.2420	0.9633	0.057*
C4B	1.4923 (6)	0.1731 (7)	1.0915 (6)	0.0623 (16)
H4BA	1.5793	0.1715	1.0308	0.093*
H4BB	1.4941	0.0987	1.1512	0.093*
H4BC	1.4713	0.2463	1.1332	0.093*
O1C	1.1465 (4)	−0.0382 (3)	0.7931 (3)	0.0466 (8)
O2C	1.1337 (4)	−0.2028 (3)	0.9441 (3)	0.0453 (8)
C1C	1.1754 (5)	−0.1532 (4)	0.8334 (4)	0.0390 (10)
C2C	1.2649 (6)	−0.2335 (5)	0.7388 (5)	0.0527 (13)
H2CA	1.2841	−0.1973	0.6560	0.063*
C3C	1.3193 (5)	−0.3519 (5)	0.7625 (5)	0.0523 (13)
H3CA	1.3026	−0.3858	0.8460	0.063*
C4C	1.4050 (7)	−0.4380 (7)	0.6702 (7)	0.076 (2)
H4CA	1.4814	−0.4840	0.6976	0.114*
H4CB	1.4363	−0.3894	0.5907	0.114*
H4CC	1.3524	−0.4959	0.6630	0.114*
N1	1.1309 (4)	0.2245 (4)	0.6448 (4)	0.0394 (9)
N2	0.9868 (4)	0.3788 (3)	0.8202 (4)	0.0394 (9)
C1	1.1962 (5)	0.1525 (5)	0.5591 (4)	0.0474 (12)
H1A	1.1976	0.0662	0.5803	0.057*
C2	1.2643 (4)	0.1962 (6)	0.4380 (5)	0.0584 (15)
H2A	1.3109	0.1402	0.3807	0.070*
C3	1.2614 (5)	0.3228 (6)	0.4045 (5)	0.0571 (15)
H3A	1.3050	0.3545	0.3237	0.068*
C4	1.1922 (5)	0.4042 (5)	0.4932 (5)	0.0473 (12)
C5	1.1827 (6)	0.5387 (6)	0.4649 (6)	0.0611 (16)
H5A	1.2249	0.5739	0.3851	0.073*
C6	1.1141 (6)	0.6136 (6)	0.5518 (6)	0.0580 (15)
H6A	1.1100	0.7002	0.5313	0.070*
C7	1.0471 (5)	0.5639 (5)	0.6750 (5)	0.0468 (12)
C8	0.9723 (6)	0.6390 (5)	0.7681 (6)	0.0591 (15)
H8A	0.9646	0.7262	0.7511	0.071*
C9	0.9108 (6)	0.5842 (5)	0.8836 (6)	0.0598 (15)
H9A	0.8633	0.6329	0.9471	0.072*
C10	0.9202 (5)	0.4535 (5)	0.9050 (5)	0.0513 (13)
H10A	0.8768	0.4171	0.9839	0.062*
C11	1.0514 (5)	0.4325 (4)	0.7058 (4)	0.0379 (10)
C12	1.1277 (5)	0.3508 (5)	0.6128 (4)	0.0387 (10)
O1WA	1.0142 (16)	−0.0787 (12)	0.5576 (11)	0.050 (5)	0.268 (9)
O1WB	0.6073 (7)	0.4644 (7)	0.8849 (6)	0.088 (3)	0.732 (9)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Dy	0.03926 (13)	0.02994 (13)	0.02807 (12)	−0.00856 (8)	−0.01128 (8)	−0.00011 (8)
O1A	0.096 (4)	0.100 (4)	0.045 (2)	−0.051 (3)	−0.032 (2)	0.007 (2)
O2A	0.061 (3)	0.064 (3)	0.086 (3)	−0.013 (2)	−0.038 (3)	0.023 (3)
C1A	0.083 (5)	0.091 (6)	0.062 (4)	−0.059 (5)	−0.049 (4)	0.049 (4)
C2A'	0.044 (9)	0.043 (7)	0.042 (6)	−0.015 (6)	−0.018 (5)	−0.003 (5)
C3A'	0.053 (10)	0.071 (10)	0.059 (8)	−0.003 (8)	−0.036 (7)	−0.010 (7)
C4A'	0.061 (11)	0.085 (18)	0.101 (15)	−0.024 (14)	−0.042 (10)	0.018 (15)
C2A"	0.066 (12)	0.045 (8)	0.054 (10)	0.000 (7)	−0.028 (8)	−0.001 (7)
C3A"	0.071 (13)	0.058 (11)	0.080 (12)	−0.016 (9)	−0.036 (10)	0.007 (9)
C4A"	0.087 (18)	0.076 (18)	0.099 (16)	−0.029 (16)	−0.063 (14)	0.022 (16)
O1B	0.052 (2)	0.0412 (19)	0.046 (2)	−0.0183 (16)	−0.0229 (16)	0.0084 (16)
O2B	0.0466 (19)	0.0393 (18)	0.0385 (18)	−0.0163 (15)	−0.0167 (15)	−0.0014 (14)
C1B	0.037 (2)	0.037 (3)	0.044 (3)	−0.007 (2)	−0.010 (2)	−0.010 (2)
C2B	0.050 (3)	0.042 (3)	0.044 (3)	−0.015 (2)	−0.019 (2)	0.004 (2)
C3B	0.046 (3)	0.054 (3)	0.043 (3)	−0.013 (2)	−0.013 (2)	−0.004 (2)
C4B	0.049 (3)	0.086 (5)	0.063 (4)	−0.022 (3)	−0.018 (3)	−0.018 (3)
O1C	0.059 (2)	0.039 (2)	0.0354 (18)	−0.0067 (16)	−0.0064 (16)	−0.0037 (15)
O2C	0.059 (2)	0.0349 (18)	0.0331 (18)	−0.0044 (16)	−0.0055 (15)	−0.0013 (14)
C1C	0.045 (3)	0.035 (3)	0.036 (2)	−0.009 (2)	−0.010 (2)	−0.005 (2)
C2C	0.066 (4)	0.046 (3)	0.041 (3)	−0.004 (3)	−0.009 (3)	−0.010 (2)
C3C	0.051 (3)	0.054 (3)	0.052 (3)	−0.007 (3)	−0.013 (3)	−0.012 (3)
C4C	0.062 (4)	0.067 (4)	0.095 (5)	0.011 (3)	−0.018 (4)	−0.036 (4)
N1	0.047 (2)	0.041 (2)	0.033 (2)	−0.0132 (18)	−0.0136 (17)	0.0011 (17)
N2	0.051 (2)	0.029 (2)	0.039 (2)	−0.0073 (17)	−0.0162 (18)	−0.0004 (17)
C1	0.059 (3)	0.047 (3)	0.032 (2)	−0.011 (2)	−0.007 (2)	−0.002 (2)
C2	0.070 (4)	0.066 (4)	0.035 (3)	−0.014 (3)	−0.007 (3)	−0.007 (3)
C3	0.060 (4)	0.072 (4)	0.037 (3)	−0.025 (3)	−0.010 (2)	0.007 (3)
C4	0.049 (3)	0.053 (3)	0.044 (3)	−0.017 (2)	−0.020 (2)	0.008 (2)
C5	0.074 (4)	0.059 (4)	0.052 (3)	−0.033 (3)	−0.020 (3)	0.020 (3)
C6	0.067 (4)	0.042 (3)	0.067 (4)	−0.023 (3)	−0.027 (3)	0.016 (3)
C7	0.052 (3)	0.038 (3)	0.056 (3)	−0.014 (2)	−0.028 (3)	0.008 (2)
C8	0.067 (4)	0.036 (3)	0.081 (4)	−0.007 (3)	−0.036 (3)	−0.002 (3)
C9	0.077 (4)	0.038 (3)	0.065 (4)	−0.005 (3)	−0.022 (3)	−0.009 (3)
C10	0.062 (3)	0.037 (3)	0.050 (3)	−0.008 (2)	−0.010 (3)	−0.002 (2)
C11	0.043 (3)	0.034 (2)	0.043 (3)	−0.012 (2)	−0.025 (2)	0.007 (2)
C12	0.046 (3)	0.041 (3)	0.033 (2)	−0.017 (2)	−0.017 (2)	0.007 (2)
O1WA	0.095 (12)	0.032 (7)	0.028 (7)	−0.012 (7)	−0.024 (7)	−0.005 (5)
O1WB	0.084 (5)	0.082 (5)	0.078 (5)	0.006 (4)	−0.015 (4)	0.001 (4)

Geometric parameters (Å, º) top

Dy—O1C	2.320 (3)	C4B—H4BA	0.9600
Dy—O2Bⁱ	2.321 (3)	C4B—H4BB	0.9600
Dy—O2Cⁱ	2.331 (3)	C4B—H4BC	0.9600
Dy—O1B	2.413 (3)	O1C—C1C	1.263 (6)
Dy—O2A	2.440 (4)	O2C—C1C	1.257 (6)
Dy—O1A	2.464 (4)	O2C—Dyⁱ	2.331 (3)
Dy—O2B	2.579 (3)	C1C—C2C	1.481 (7)
Dy—N2	2.582 (4)	C2C—C3C	1.315 (8)
Dy—N1	2.584 (4)	C2C—H2CA	0.9300
Dy—C1A	2.826 (6)	C3C—C4C	1.492 (8)
Dy—C1B	2.871 (5)	C3C—H3CA	0.9300
Dy—Dyⁱ	3.9006 (4)	C4C—H4CA	0.9600
O1A—C1A	1.239 (10)	C4C—H4CB	0.9600
O2A—C1A	1.261 (10)	C4C—H4CC	0.9600
C1A—C2A'	1.522 (16)	N1—C1	1.300 (6)
C1A—C2A"	1.58 (2)	N1—C12	1.360 (6)
C2A'—C3A'	1.30 (3)	N2—C10	1.314 (6)
C2A'—H2AA	0.9300	N2—C11	1.357 (6)
C3A'—C4A'	1.49 (4)	C1—C2	1.390 (7)
C3A'—H3AA	0.9300	C1—H1A	0.9300
C4A'—H4AD	0.9600	C2—C3	1.366 (8)
C4A'—H4AE	0.9600	C2—H2A	0.9300
C4A'—H4AF	0.9600	C3—C4	1.397 (8)
C2A"—C3A"	1.23 (4)	C3—H3A	0.9300
C2A"—H2AB	0.9300	C4—C12	1.399 (7)
C3A"—C4A"	1.53 (4)	C4—C5	1.438 (8)
C3A"—H3AB	0.9300	C5—C6	1.336 (9)
C4A"—H4AA	0.9600	C5—H5A	0.9300
C4A"—H4AB	0.9600	C6—C7	1.424 (8)
C4A"—H4AC	0.9600	C6—H6A	0.9300
O1B—C1B	1.252 (6)	C7—C8	1.398 (8)
O2B—C1B	1.276 (6)	C7—C11	1.412 (7)
O2B—Dyⁱ	2.321 (3)	C8—C9	1.362 (9)
C1B—C2B	1.488 (7)	C8—H8A	0.9300
C2B—C3B	1.310 (7)	C9—C10	1.395 (7)
C2B—H2BA	0.9300	C9—H9A	0.9300
C3B—C4B	1.484 (7)	C10—H10A	0.9300
C3B—H3BA	0.9300	C11—C12	1.446 (7)

O1C—Dy—O2Bⁱ	76.57 (12)	C4A"—C3A"—H3AB	116.7
O1C—Dy—O2Cⁱ	137.43 (12)	C3A"—C4A"—H4AA	109.1
O2Bⁱ—Dy—O2Cⁱ	75.14 (12)	C3A"—C4A"—H4AB	109.7
O1C—Dy—O1B	84.13 (13)	H4AA—C4A"—H4AB	109.5
O2Bⁱ—Dy—O1B	126.55 (11)	C3A"—C4A"—H4AC	109.6
O2Cⁱ—Dy—O1B	87.82 (13)	H4AA—C4A"—H4AC	109.5
O1C—Dy—O2A	129.59 (17)	H4AB—C4A"—H4AC	109.5
O2Bⁱ—Dy—O2A	84.29 (13)	C1B—O1B—Dy	98.1 (3)
O2Cⁱ—Dy—O2A	78.06 (16)	C1B—O2B—Dyⁱ	164.9 (3)
O1B—Dy—O2A	141.55 (15)	C1B—O2B—Dy	89.7 (3)
O1C—Dy—O1A	78.07 (18)	Dyⁱ—O2B—Dy	105.38 (12)
O2Bⁱ—Dy—O1A	78.00 (13)	O1B—C1B—O2B	120.2 (4)
O2Cⁱ—Dy—O1A	125.18 (17)	O1B—C1B—C2B	121.5 (4)
O1B—Dy—O1A	145.16 (15)	O2B—C1B—C2B	118.3 (4)
O2A—Dy—O1A	52.28 (19)	O1B—C1B—Dy	56.3 (2)
O1C—Dy—O2B	70.58 (11)	O2B—C1B—Dy	63.9 (2)
O2Bⁱ—Dy—O2B	74.62 (12)	C2B—C1B—Dy	176.7 (4)
O2Cⁱ—Dy—O2B	71.65 (12)	C3B—C2B—C1B	123.6 (5)
O1B—Dy—O2B	51.94 (10)	C3B—C2B—H2BA	118.2
O2A—Dy—O2B	146.54 (14)	C1B—C2B—H2BA	118.2
O1A—Dy—O2B	142.17 (15)	C2B—C3B—C4B	125.5 (5)
O1C—Dy—N2	136.39 (13)	C2B—C3B—H3BA	117.3
O2Bⁱ—Dy—N2	146.97 (13)	C4B—C3B—H3BA	117.3
O2Cⁱ—Dy—N2	77.66 (12)	C3B—C4B—H4BA	109.5
O1B—Dy—N2	70.12 (12)	C3B—C4B—H4BB	109.5
O2A—Dy—N2	71.97 (14)	H4BA—C4B—H4BB	109.5
O1A—Dy—N2	103.40 (15)	C3B—C4B—H4BC	109.5
O2B—Dy—N2	113.81 (11)	H4BA—C4B—H4BC	109.5
O1C—Dy—N1	76.76 (12)	H4BB—C4B—H4BC	109.5
O2Bⁱ—Dy—N1	141.62 (12)	C1C—O1C—Dy	137.5 (3)
O2Cⁱ—Dy—N1	141.33 (12)	C1C—O2C—Dyⁱ	137.7 (3)
O1B—Dy—N1	77.07 (12)	O2C—C1C—O1C	125.6 (5)
O2A—Dy—N1	91.95 (14)	O2C—C1C—C2C	119.1 (4)
O1A—Dy—N1	69.84 (14)	O1C—C1C—C2C	115.3 (4)
O2B—Dy—N1	120.67 (11)	C3C—C2C—C1C	125.3 (5)
N2—Dy—N1	63.77 (13)	C3C—C2C—H2CA	117.4
O1C—Dy—C1A	103.4 (2)	C1C—C2C—H2CA	117.4
O2Bⁱ—Dy—C1A	78.65 (14)	C2C—C3C—C4C	127.2 (6)
O2Cⁱ—Dy—C1A	101.5 (2)	C2C—C3C—H3CA	116.4
O1B—Dy—C1A	154.79 (14)	C4C—C3C—H3CA	116.4
O2A—Dy—C1A	26.4 (2)	C3C—C4C—H4CA	109.5
O1A—Dy—C1A	25.9 (2)	C3C—C4C—H4CB	109.5
O2B—Dy—C1A	153.27 (14)	H4CA—C4C—H4CB	109.5
N2—Dy—C1A	88.84 (19)	C3C—C4C—H4CC	109.5
N1—Dy—C1A	81.27 (16)	H4CA—C4C—H4CC	109.5
O1C—Dy—C1B	76.36 (13)	H4CB—C4C—H4CC	109.5
O2Bⁱ—Dy—C1B	101.00 (13)	C1—N1—C12	117.6 (4)
O2Cⁱ—Dy—C1B	78.58 (13)	C1—N1—Dy	122.5 (3)
O1B—Dy—C1B	25.56 (12)	C12—N1—Dy	119.8 (3)
O2A—Dy—C1B	153.80 (17)	C10—N2—C11	117.7 (4)
O1A—Dy—C1B	153.88 (18)	C10—N2—Dy	122.3 (3)
O2B—Dy—C1B	26.38 (12)	C11—N2—Dy	120.0 (3)
N2—Dy—C1B	91.55 (13)	N1—C1—C2	124.2 (5)
N1—Dy—C1B	98.95 (13)	N1—C1—H1A	117.9
C1A—Dy—C1B	179.61 (17)	C2—C1—H1A	117.9
O1C—Dy—Dyⁱ	69.02 (8)	C3—C2—C1	118.8 (6)
O2Bⁱ—Dy—Dyⁱ	39.60 (8)	C3—C2—H2A	120.6
O2Cⁱ—Dy—Dyⁱ	68.85 (8)	C1—C2—H2A	120.6
O1B—Dy—Dyⁱ	86.95 (8)	C2—C3—C4	119.2 (5)
O2A—Dy—Dyⁱ	119.50 (10)	C2—C3—H3A	120.4
O1A—Dy—Dyⁱ	113.48 (11)	C4—C3—H3A	120.4
O2B—Dy—Dyⁱ	35.02 (7)	C3—C4—C12	117.6 (5)
N2—Dy—Dyⁱ	139.98 (9)	C3—C4—C5	122.6 (5)
N1—Dy—Dyⁱ	143.49 (9)	C12—C4—C5	119.8 (5)
C1A—Dy—Dyⁱ	118.25 (12)	C6—C5—C4	120.9 (5)
C1B—Dy—Dyⁱ	61.40 (10)	C6—C5—H5A	119.6
C1A—O1A—Dy	93.6 (4)	C4—C5—H5A	119.6
C1A—O2A—Dy	94.1 (4)	C5—C6—C7	121.5 (5)
O1A—C1A—O2A	119.6 (6)	C5—C6—H6A	119.2
O1A—C1A—C2A'	105.6 (10)	C7—C6—H6A	119.2
O2A—C1A—C2A'	134.7 (11)	C8—C7—C11	117.3 (5)
O1A—C1A—C2A"	138.8 (11)	C8—C7—C6	123.4 (5)
O2A—C1A—C2A"	101.4 (11)	C11—C7—C6	119.3 (5)
O1A—C1A—Dy	60.5 (3)	C9—C8—C7	119.8 (5)
O2A—C1A—Dy	59.5 (3)	C9—C8—H8A	120.1
C2A'—C1A—Dy	164.8 (9)	C7—C8—H8A	120.1
C2A"—C1A—Dy	159.0 (10)	C8—C9—C10	118.8 (6)
C3A'—C2A'—C1A	116.2 (18)	C8—C9—H9A	120.6
C3A'—C2A'—H2AA	121.9	C10—C9—H9A	120.6
C1A—C2A'—H2AA	121.9	N2—C10—C9	123.9 (5)
C2A'—C3A'—C4A'	124 (2)	N2—C10—H10A	118.0
C2A'—C3A'—H3AA	117.8	C9—C10—H10A	118.0
C4A'—C3A'—H3AA	117.9	N2—C11—C7	122.6 (5)
C3A"—C2A"—C1A	116 (2)	N2—C11—C12	118.1 (4)
C3A"—C2A"—H2AB	122.2	C7—C11—C12	119.3 (5)
C1A—C2A"—H2AB	122.2	N1—C12—C4	122.6 (5)
C2A"—C3A"—C4A"	127 (3)	N1—C12—C11	118.3 (4)
C2A"—C3A"—H3AB	116.5	C4—C12—C11	119.1 (5)

Symmetry code: (i) −x+2, −y, −z+2.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
C1—H1A···O1C	0.93	2.43	3.042 (6)	124
C6—H6A···O1WAⁱⁱ	0.93	2.45	3.318 (14)	155
C10—H10A···O2Cⁱ	0.93	2.35	3.020 (6)	128
O1WA···O1A	?	?	2.621 (15)	?
O1WB···O2A	?	?	2.834 (16)	?

Symmetry codes: (i) −x+2, −y, −z+2; (ii) x, y+1, z.

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