Diaquadiperchlorato[μ-11,23-dimethyl-3,7,15,19-tetraazatricyclo[19.3.1.19,13]hexacosa-1(25),2,7,9,11,13(26),14,19,21,23-decaene-25,26-diolato-1κ2N,N′;2κ2N′′,N′′′;1:2κ2O:O′]dicadmium(II) diaqua[μ-11,23-dimethyl-3,7,15,19-tetraazatricyclo[19.3.1.19,13]hexacosa-1(25),2,7,9,11,13(26),14,19,21,23-decaene-25,26-diolato-1κ2N,N′;2κ2N′′,N′′′;1:2κ2O:O′]dicadmium(II) diperchlorate

Liu, B.; Zhou, H.; Pan, Z.-Q.; Hu, X.-L.; Chen, L.

doi:10.1107/S1600536805017599

Diaquadiperchlorato[μ-11,23-dimethyl-3,7,15,19-tetraazatricyclo[19.3.1.1^9,13]hexacosa-1(25),2,7,9,11,13(26),14,19,21,23-decaene-25,26-diolato-1κ²N,N′;2κ²N′′,N′′′;1:2κ²O:O′]dicadmium(II) diaqua[μ-11,23-dimethyl-3,7,15,19-tetraazatricyclo[19.3.1.1^9,13]hexacosa-1(25),2,7,9,11,13(26),14,19,21,23-decaene-25,26-diolato-1κ²N,N′;2κ²N′′,N′′′;1:2κ²O:O′]dicadmium(II) diperchlorate

B. Liu, H. Zhou, Z.-Q. Pan, X.-L. Hu and L. Chen

In the title complex, [Cd₂(C₂₄H₂₆N₄O₂)(ClO₄)₂(H₂O)₂][Cd₂(C₂₄H₂₆N₄O₂)(H₂O)₂](ClO₄)₂, the two distinct macrocycles adopt essentially flat structures. They each encapsulate two Cd atoms. One Cd coordination polyhedron, completed by a water O atom and a perchlorate O atom, is distorted octahedral, while the other is best described as a CdN₂O₃ square-based pyramid, with water in the apical site. Both dinuclear complexes are centrosymmetric.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805017599/hb6198sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536805017599/hb6198Isup2.hkl Contains datablock I

CCDC reference: 277254

checkCIF report

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.009 Å
R factor = 0.050
wR factor = 0.119
Data-to-parameter ratio = 14.4

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature        293 K
PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature .        293 K
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          9

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

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

Computing details top

Data collection: SMART (Bruker, 2000); cell refinement: SMART; data reduction: SAINT (Bruker, 2000); program(s) used to solve structure: SHELXTL (Bruker, 2000); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Bis(aqua)bis(diperchlorato)(3,7,15,19-tetraaza-25,26-dihydroxy-11,23- dimethyltricyclo[19,3,1,1^9,13]hexacosa-1(25),2,7,9,11,13 (26),14,19,21,23- decaene-1κ²N,N';2κ²N'',N''';1:2κ²O:O')dicadmium(II) bis(aqua)(3,7,15,19-tetraaza-25,26-dihydroxy-11,23- dimethyltricyclo[19,3,1,1^9,13]hexacosa-1(25),2,7,9,11,13 (26),14,19,21,23- decaene-1κ²N,N';2κ²N'',N''';1:2κ²O:O')dicadmium(II) diperchlorate top

Crystal data top

[Cd₂(ClO₄)₂(C₂₄H₂₆N₄O₂)(H₂O)₂][Cd₂(C₂₄H₂₆N₄O₂)(H₂O)₂]·2ClO₄	F(000) = 1712
M_r = 1724.44	D_x = 1.965 Mg m⁻³
Monoclinic, P2₁/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 5603 reflections
a = 16.5483 (15) Å	θ = 2.2–22.9°
b = 12.3987 (11) Å	µ = 1.71 mm⁻¹
c = 14.7440 (13) Å	T = 293 K
β = 105.512 (1)°	Block, red-brown
V = 2914.9 (5) Å³	0.34 × 0.24 × 0.22 mm
Z = 2

Data collection top

Bruker SMART Apex CCD area-detector diffractometer	5731 independent reflections
Radiation source: sealed tube	4747 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.032
φ and ω scans	θ_max = 26.0°, θ_min = 2.1°
Absorption correction: multi-scan (SADABS; Bruker, 2000)	h = −20→10
T_min = 0.62, T_max = 0.69	k = −15→15
16225 measured reflections	l = −18→18

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)] = 0.050	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.119	H-atom parameters constrained
S = 1.08	w = 1/[σ²(F_o²) + (0.054P)² + 1.6448P] where P = (F_o² + 2F_c²)/3
5731 reflections	(Δ/σ)_max < 0.001
399 parameters	Δρ_max = 0.74 e Å⁻³
15 restraints	Δρ_min = −0.99 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
Cd1	0.46250 (3)	0.88597 (3)	0.47745 (3)	0.03797 (13)
Cd2	0.06482 (3)	0.59085 (3)	0.03415 (3)	0.03932 (14)
C1	0.2854 (4)	0.9012 (5)	0.3867 (5)	0.0493 (16)
H1	0.2343	0.8683	0.3590	0.059*
C2	0.3265 (4)	0.7232 (5)	0.4194 (4)	0.0409 (13)
H2A	0.2689	0.7120	0.3831	0.049*
H2B	0.3322	0.6982	0.4832	0.049*
C3	0.3856 (4)	0.6606 (5)	0.3757 (4)	0.0399 (13)
H3A	0.3606	0.5913	0.3542	0.048*
H3B	0.3921	0.6997	0.3211	0.048*
C4	0.4715 (4)	0.6423 (5)	0.4428 (5)	0.0509 (16)
H4A	0.4653	0.5951	0.4930	0.061*
H4B	0.5062	0.6051	0.4091	0.061*
C5	0.5919 (4)	0.7284 (5)	0.5343 (4)	0.0401 (13)
H5	0.6088	0.6566	0.5413	0.048*
C6	0.6551 (3)	0.8043 (4)	0.5796 (4)	0.0339 (12)
C7	0.7323 (4)	0.7603 (6)	0.6258 (4)	0.0470 (15)
H7	0.7378	0.6857	0.6298	0.056*
C8	0.8020 (4)	0.8246 (6)	0.6665 (5)	0.0482 (15)
C9	0.7900 (3)	0.9337 (5)	0.6573 (4)	0.0416 (14)
H9	0.8358	0.9781	0.6825	0.050*
C10	0.7153 (3)	0.9823 (5)	0.6137 (4)	0.0326 (11)
C11	0.6415 (3)	0.9187 (4)	0.5732 (4)	0.0303 (11)
C12	0.8852 (4)	0.7735 (5)	0.7149 (4)	0.0354 (12)
H12A	0.9226	0.7797	0.6754	0.053*
H12B	0.8768	0.6987	0.7266	0.053*
H12C	0.9090	0.8096	0.7736	0.053*
C13	−0.0208 (4)	0.7940 (5)	0.0248 (5)	0.0465 (14)
H13	−0.0203	0.8681	0.0346	0.056*
C14	0.1179 (4)	0.8159 (5)	0.1140 (5)	0.0474 (15)
H14A	0.1245	0.8054	0.1808	0.057*
H14B	0.1039	0.8910	0.0992	0.057*
C15	0.1991 (4)	0.7885 (6)	0.0904 (5)	0.0536 (18)
H15A	0.1891	0.7932	0.0226	0.064*
H15B	0.2398	0.8436	0.1179	0.064*
C16	0.2384 (4)	0.6801 (5)	0.1213 (4)	0.0447 (15)
H16A	0.2893	0.6744	0.1010	0.054*
H16B	0.2544	0.6781	0.1895	0.054*
C17	0.2277 (4)	0.4990 (6)	0.1044 (5)	0.0506 (16)
H17	0.2849	0.5068	0.1325	0.061*
C18	0.1987 (4)	0.3884 (5)	0.0870 (4)	0.0413 (13)
C19	0.2622 (4)	0.3096 (6)	0.1213 (5)	0.0514 (16)
H19	0.3158	0.3310	0.1544	0.062*
C20	0.2441 (4)	0.2008 (5)	0.1056 (5)	0.0470 (15)
C21	0.1633 (4)	0.1724 (5)	0.0576 (5)	0.0443 (14)
H21	0.1504	0.0999	0.0457	0.053*
C22	0.0995 (4)	0.2504 (5)	0.0258 (5)	0.0465 (15)
C23	0.1160 (3)	0.3601 (5)	0.0407 (4)	0.0323 (11)
C24	0.3108 (5)	0.1164 (6)	0.1419 (4)	0.0524 (18)
H24A	0.3643	0.1508	0.1647	0.079*
H24B	0.3126	0.0677	0.0918	0.079*
H24C	0.2978	0.0769	0.1922	0.079*
Cl1	0.48841 (10)	0.88061 (12)	0.22993 (9)	0.0411 (3)
Cl2	0.09854 (11)	0.55513 (12)	0.31998 (11)	0.0474 (4)
N1	0.3475 (3)	0.8366 (4)	0.4203 (4)	0.0457 (13)
N2	0.5165 (3)	0.7430 (4)	0.4861 (4)	0.0407 (11)
N3	0.0497 (3)	0.7456 (4)	0.0589 (4)	0.0453 (11)
N4	0.1868 (3)	0.5864 (4)	0.0871 (4)	0.0427 (12)
O1	0.5695 (2)	0.9605 (3)	0.5301 (3)	0.0362 (7)
O2	0.4371 (3)	0.8821 (3)	0.6296 (3)	0.0442 (9)
H2D	0.4631	0.9436	0.6652	0.066*
H2E	0.4604	0.8172	0.6617	0.066*
O3	0.0570 (2)	0.4358 (3)	0.0120 (3)	0.0357 (8)
O4	0.0635 (3)	0.6278 (4)	−0.1285 (3)	0.0539 (11)
H4D	0.0188	0.6768	−0.1561	0.081*
H4E	0.0554	0.5614	−0.1634	0.081*
O11	0.4766 (3)	0.9297 (3)	0.3092 (3)	0.0464 (9)
O12	0.5442 (3)	0.9389 (3)	0.1944 (3)	0.0450 (10)
O13	0.4149 (3)	0.8689 (4)	0.1584 (3)	0.0463 (11)
O14	0.5220 (3)	0.7793 (3)	0.2560 (3)	0.0410 (10)
O21	0.0647 (3)	0.5228 (4)	0.2257 (3)	0.0515 (11)
O22	0.1088 (3)	0.6675 (3)	0.3173 (3)	0.0490 (11)
O23	0.1762 (3)	0.5082 (4)	0.3561 (3)	0.0506 (11)
O24	0.0431 (3)	0.5297 (4)	0.3722 (3)	0.0518 (11)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Cd1	0.0367 (2)	0.0281 (2)	0.0446 (2)	0.00035 (16)	0.00310 (18)	−0.00108 (17)
Cd2	0.0358 (2)	0.0321 (2)	0.0473 (3)	−0.00281 (17)	0.00626 (19)	−0.00108 (17)
C1	0.045 (4)	0.038 (3)	0.059 (4)	0.013 (3)	0.003 (3)	0.005 (3)
C2	0.029 (3)	0.052 (4)	0.039 (3)	−0.003 (3)	0.004 (2)	−0.002 (3)
C3	0.039 (3)	0.033 (3)	0.046 (3)	0.002 (2)	0.009 (3)	0.002 (2)
C4	0.053 (4)	0.047 (4)	0.043 (3)	−0.008 (3)	−0.003 (3)	−0.016 (3)
C5	0.036 (3)	0.038 (3)	0.047 (3)	0.002 (2)	0.012 (3)	0.004 (3)
C6	0.029 (3)	0.035 (3)	0.038 (3)	0.006 (2)	0.010 (2)	0.000 (2)
C7	0.051 (4)	0.048 (4)	0.044 (3)	0.007 (3)	0.015 (3)	−0.001 (3)
C8	0.039 (3)	0.064 (4)	0.047 (4)	0.012 (3)	0.022 (3)	0.010 (3)
C9	0.038 (3)	0.050 (3)	0.037 (3)	0.008 (3)	0.011 (3)	0.012 (3)
C10	0.030 (3)	0.044 (3)	0.025 (2)	0.002 (2)	0.009 (2)	0.003 (2)
C11	0.026 (3)	0.031 (3)	0.030 (3)	0.001 (2)	0.003 (2)	−0.002 (2)
C12	0.042 (3)	0.039 (3)	0.027 (3)	0.002 (2)	0.012 (2)	0.005 (2)
C13	0.053 (3)	0.041 (2)	0.053 (4)	0.008 (2)	0.026 (3)	0.006 (3)
C14	0.047 (4)	0.050 (4)	0.047 (3)	−0.009 (3)	0.015 (3)	−0.024 (3)
C15	0.045 (4)	0.064 (4)	0.051 (4)	−0.031 (3)	0.010 (3)	−0.012 (3)
C16	0.049 (4)	0.051 (4)	0.033 (3)	−0.014 (3)	0.008 (3)	−0.021 (3)
C17	0.029 (3)	0.056 (4)	0.063 (4)	0.006 (3)	0.006 (3)	−0.007 (3)
C18	0.035 (3)	0.045 (3)	0.045 (3)	0.008 (3)	0.014 (3)	0.001 (3)
C19	0.041 (4)	0.062 (4)	0.056 (4)	0.009 (3)	0.021 (3)	0.004 (3)
C20	0.051 (4)	0.039 (3)	0.052 (4)	0.011 (3)	0.017 (3)	0.012 (3)
C21	0.042 (3)	0.038 (3)	0.059 (4)	0.008 (3)	0.025 (3)	0.009 (3)
C22	0.053 (4)	0.041 (3)	0.053 (4)	0.008 (3)	0.026 (3)	0.006 (3)
C23	0.030 (3)	0.0401 (15)	0.031 (3)	0.0105 (19)	0.016 (2)	0.004 (2)
C24	0.054 (4)	0.066 (4)	0.043 (3)	0.036 (3)	0.024 (3)	0.023 (3)
Cl1	0.0546 (9)	0.0452 (8)	0.0307 (7)	0.0092 (6)	0.0239 (7)	0.0102 (6)
Cl2	0.0573 (10)	0.0413 (8)	0.0419 (8)	−0.0004 (7)	0.0102 (7)	−0.0016 (6)
N1	0.030 (3)	0.041 (3)	0.060 (3)	−0.009 (2)	0.000 (2)	−0.008 (2)
N2	0.040 (3)	0.030 (2)	0.051 (3)	0.000 (2)	0.011 (2)	0.000 (2)
N3	0.039 (2)	0.0334 (12)	0.060 (3)	−0.0080 (18)	0.009 (2)	−0.006 (2)
N4	0.043 (3)	0.040 (3)	0.043 (3)	−0.009 (2)	0.008 (2)	−0.005 (2)
O1	0.0284 (16)	0.0297 (19)	0.0495 (17)	0.0013 (13)	0.0087 (13)	0.0026 (16)
O2	0.042 (2)	0.044 (2)	0.0488 (15)	−0.0059 (18)	0.0157 (18)	0.0010 (18)
O3	0.036 (2)	0.0321 (9)	0.037 (2)	−0.0028 (13)	0.0063 (17)	−0.0011 (15)
O4	0.050 (3)	0.050 (3)	0.060 (3)	0.000 (2)	0.012 (2)	0.003 (2)
O11	0.050 (2)	0.047 (2)	0.0451 (12)	0.011 (2)	0.0190 (16)	−0.0054 (13)
O12	0.061 (3)	0.048 (2)	0.033 (2)	0.010 (2)	0.023 (2)	0.0057 (18)
O13	0.060 (3)	0.052 (3)	0.034 (2)	0.009 (2)	0.026 (2)	0.0132 (19)
O14	0.056 (3)	0.043 (2)	0.031 (2)	0.0102 (19)	0.0239 (19)	0.0080 (16)
O21	0.065 (3)	0.047 (2)	0.043 (2)	0.003 (2)	0.015 (2)	−0.0018 (19)
O22	0.062 (3)	0.040 (2)	0.046 (2)	−0.002 (2)	0.016 (2)	−0.0037 (19)
O23	0.065 (3)	0.043 (2)	0.044 (2)	−0.003 (2)	0.016 (2)	−0.0042 (19)
O24	0.062 (3)	0.050 (3)	0.043 (2)	−0.002 (2)	0.012 (2)	0.002 (2)

Geometric parameters (Å, º) top

Cd1—N1	1.962 (5)	C13—C22ⁱⁱ	1.427 (10)
Cd1—O1	1.964 (4)	C13—H13	0.9300
Cd1—O1ⁱ	1.971 (4)	C14—N3	1.486 (7)
Cd1—N2	1.974 (5)	C14—C15	1.513 (9)
Cd1—O2	2.390 (4)	C14—H14A	0.9700
Cd1—O11	2.610 (4)	C14—H14B	0.9700
Cd1—Cd1ⁱ	3.0882 (8)	C15—C16	1.509 (10)
Cd2—O3	1.949 (4)	C15—H15A	0.9700
Cd2—N4	1.961 (5)	C15—H15B	0.9700
Cd2—O3ⁱⁱ	1.976 (4)	C16—N4	1.450 (7)
Cd2—N3	1.981 (5)	C16—H16A	0.9700
Cd2—O4	2.436 (5)	C16—H16B	0.9700
Cd2—Cd2ⁱⁱ	3.0880 (8)	C17—N4	1.267 (8)
C1—N1	1.293 (8)	C17—C18	1.453 (9)
C1—C10ⁱ	1.444 (8)	C17—H17	0.9300
C1—H1	0.9300	C18—C23	1.402 (8)
C2—N1	1.447 (8)	C18—C19	1.425 (9)
C2—C3	1.520 (8)	C19—C20	1.387 (10)
C2—H2A	0.9700	C19—H19	0.9300
C2—H2B	0.9700	C20—C21	1.381 (9)
C3—C4	1.515 (9)	C20—C24	1.511 (8)
C3—H3A	0.9700	C21—C22	1.415 (9)
C3—H3B	0.9700	C21—H21	0.9300
C4—N2	1.507 (7)	C22—C23	1.393 (8)
C4—H4A	0.9700	C22—C13ⁱⁱ	1.427 (10)
C4—H4B	0.9700	C23—O3	1.338 (6)
C5—N2	1.273 (8)	C24—H24A	0.9600
C5—C6	1.431 (8)	C24—H24B	0.9600
C5—H5	0.9300	C24—H24C	0.9600
C6—C7	1.389 (8)	Cl1—O11	1.378 (4)
C6—C11	1.436 (7)	Cl1—O12	1.381 (5)
C7—C8	1.399 (10)	Cl1—O14	1.386 (4)
C7—H7	0.9300	Cl1—O13	1.388 (5)
C8—C9	1.369 (9)	Cl2—O23	1.381 (5)
C8—C12	1.510 (8)	Cl2—O24	1.384 (5)
C9—C10	1.371 (7)	Cl2—O22	1.405 (5)
C9—H9	0.9300	Cl2—O21	1.411 (5)
C10—C11	1.443 (7)	O1—Cd1ⁱ	1.971 (4)
C10—C1ⁱ	1.444 (8)	O2—H2D	0.9600
C11—O1	1.298 (6)	O2—H2E	0.9600
C12—H12A	0.9600	O3—Cd2ⁱⁱ	1.976 (4)
C12—H12B	0.9600	O4—H4D	0.9600
C12—H12C	0.9600	O4—H4E	0.9600
C13—N3	1.288 (8)

N1—Cd1—O1	170.12 (19)	N3—C13—H13	115.5
N1—Cd1—O1ⁱ	93.57 (19)	C22ⁱⁱ—C13—H13	115.5
O1—Cd1—O1ⁱ	76.59 (17)	N3—C14—C15	109.5 (5)
N1—Cd1—N2	96.8 (2)	N3—C14—H14A	109.8
O1—Cd1—N2	92.98 (18)	C15—C14—H14A	109.8
O1ⁱ—Cd1—N2	168.83 (18)	N3—C14—H14B	109.8
N1—Cd1—O2	90.2 (2)	C15—C14—H14B	109.8
O1—Cd1—O2	90.28 (15)	H14A—C14—H14B	108.2
O1ⁱ—Cd1—O2	87.74 (16)	C16—C15—C14	117.9 (6)
N2—Cd1—O2	96.39 (18)	C16—C15—H15A	107.8
N1—Cd1—O11	88.8 (2)	C14—C15—H15A	107.8
O1—Cd1—O11	88.70 (16)	C16—C15—H15B	107.8
O1ⁱ—Cd1—O11	80.59 (15)	C14—C15—H15B	107.8
N2—Cd1—O11	95.41 (18)	H15A—C15—H15B	107.2
O2—Cd1—O11	168.20 (14)	N4—C16—C15	116.3 (5)
N1—Cd1—Cd1ⁱ	131.77 (15)	N4—C16—H16A	108.2
O1—Cd1—Cd1ⁱ	38.38 (11)	C15—C16—H16A	108.2
O1ⁱ—Cd1—Cd1ⁱ	38.20 (11)	N4—C16—H16B	108.2
N2—Cd1—Cd1ⁱ	131.24 (15)	C15—C16—H16B	108.2
O2—Cd1—Cd1ⁱ	88.73 (10)	H16A—C16—H16B	107.4
O11—Cd1—Cd1ⁱ	83.18 (10)	N4—C17—C18	129.6 (6)
O3—Cd2—N4	93.08 (19)	N4—C17—H17	115.2
O3—Cd2—O3ⁱⁱ	76.21 (18)	C18—C17—H17	115.2
N4—Cd2—O3ⁱⁱ	168.40 (19)	C23—C18—C19	122.1 (6)
O3—Cd2—N3	168.60 (19)	C23—C18—C17	123.8 (5)
N4—Cd2—N3	97.0 (2)	C19—C18—C17	114.1 (6)
O3ⁱⁱ—Cd2—N3	93.30 (19)	C20—C19—C18	120.2 (7)
O3—Cd2—O4	92.16 (15)	C20—C19—H19	119.9
N4—Cd2—O4	97.70 (18)	C18—C19—H19	119.9
O3ⁱⁱ—Cd2—O4	87.30 (15)	C21—C20—C19	118.0 (6)
N3—Cd2—O4	91.78 (19)	C21—C20—C24	121.3 (6)
O3—Cd2—Cd2ⁱⁱ	38.41 (11)	C19—C20—C24	120.7 (7)
N4—Cd2—Cd2ⁱⁱ	131.35 (15)	C20—C21—C22	121.9 (6)
O3ⁱⁱ—Cd2—Cd2ⁱⁱ	37.79 (11)	C20—C21—H21	119.0
N3—Cd2—Cd2ⁱⁱ	130.95 (15)	C22—C21—H21	119.0
O4—Cd2—Cd2ⁱⁱ	89.64 (11)	C23—C22—C21	121.2 (6)
N1—C1—C10ⁱ	128.8 (6)	C23—C22—C13ⁱⁱ	124.8 (6)
N1—C1—H1	115.6	C21—C22—C13ⁱⁱ	113.9 (6)
C10ⁱ—C1—H1	115.6	O3—C23—C22	122.7 (5)
N1—C2—C3	108.6 (5)	O3—C23—C18	120.9 (5)
N1—C2—H2A	110.0	C22—C23—C18	116.4 (5)
C3—C2—H2A	110.0	C20—C24—H24A	109.5
N1—C2—H2B	110.0	C20—C24—H24B	109.5
C3—C2—H2B	110.0	H24A—C24—H24B	109.5
H2A—C2—H2B	108.4	C20—C24—H24C	109.5
C4—C3—C2	113.4 (5)	H24A—C24—H24C	109.5
C4—C3—H3A	108.9	H24B—C24—H24C	109.5
C2—C3—H3A	108.9	O11—Cl1—O12	110.6 (3)
C4—C3—H3B	108.9	O11—Cl1—O14	107.6 (3)
C2—C3—H3B	108.9	O12—Cl1—O14	108.7 (3)
H3A—C3—H3B	107.7	O11—Cl1—O13	113.4 (3)
N2—C4—C3	115.1 (5)	O12—Cl1—O13	107.8 (3)
N2—C4—H4A	108.5	O14—Cl1—O13	108.7 (3)
C3—C4—H4A	108.5	O23—Cl2—O24	112.1 (3)
N2—C4—H4B	108.5	O23—Cl2—O22	108.8 (3)
C3—C4—H4B	108.5	O24—Cl2—O22	110.2 (3)
H4A—C4—H4B	107.5	O23—Cl2—O21	110.0 (3)
N2—C5—C6	130.6 (6)	O24—Cl2—O21	109.7 (3)
N2—C5—H5	114.7	O22—Cl2—O21	105.9 (3)
C6—C5—H5	114.7	C1—N1—C2	115.7 (5)
C7—C6—C5	115.6 (5)	C1—N1—Cd1	123.5 (4)
C7—C6—C11	121.9 (5)	C2—N1—Cd1	120.7 (4)
C5—C6—C11	122.5 (5)	C5—N2—C4	114.7 (5)
C6—C7—C8	122.1 (6)	C5—N2—Cd1	121.6 (4)
C6—C7—H7	118.9	C4—N2—Cd1	123.6 (4)
C8—C7—H7	118.9	C13—N3—C14	114.6 (5)
C9—C8—C7	116.1 (6)	C13—N3—Cd2	121.7 (4)
C9—C8—C12	123.5 (6)	C14—N3—Cd2	123.7 (4)
C7—C8—C12	120.4 (6)	C17—N4—C16	112.5 (6)
C8—C9—C10	124.7 (5)	C17—N4—Cd2	122.8 (4)
C8—C9—H9	117.6	C16—N4—Cd2	124.3 (4)
C10—C9—H9	117.6	C11—O1—Cd1	128.1 (3)
C9—C10—C11	120.7 (5)	C11—O1—Cd1ⁱ	127.6 (3)
C9—C10—C1ⁱ	116.5 (5)	Cd1—O1—Cd1ⁱ	103.41 (17)
C11—C10—C1ⁱ	122.7 (5)	Cd1—O2—H2D	109.4
O1—C11—C6	122.3 (5)	Cd1—O2—H2E	109.4
O1—C11—C10	123.3 (5)	H2D—O2—H2E	109.5
C6—C11—C10	114.4 (5)	C23—O3—Cd2	129.0 (4)
C8—C12—H12A	109.5	C23—O3—Cd2ⁱⁱ	125.6 (4)
C8—C12—H12B	109.5	Cd2—O3—Cd2ⁱⁱ	103.79 (18)
H12A—C12—H12B	109.5	Cd2—O4—H4D	109.8
C8—C12—H12C	109.5	Cd2—O4—H4E	109.2
H12A—C12—H12C	109.5	H4D—O4—H4E	109.5
H12B—C12—H12C	109.5	Cl1—O11—Cd1	141.6 (3)
N3—C13—C22ⁱⁱ	129.0 (6)

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

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