Diethyl­ammonium heptabromidedicadmium(II)

Willett, R.D.; Twamley, B.

doi:10.1107/S1600536801018852

Diethylammonium heptabromidedicadmium(II)

The trigonal compound, (Et₂NH₂)₃[Cd₂Br₇], contains Cd^II species with both tetrahedral and octahedral coordination. The [CdBr₄]^2- species exist as isolated anions, stabilized by hydrogen bonding from the diethylammonium cations. The octahedral species share faces, forming [CdBr₃] $_n^{n-}$ chains parallel to the trigonal axis.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536801018852/wn6067sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536801018852/wn6067Isup2.hkl Contains datablock I

CCDC reference: 177180

checkCIF report

Key indicators

Single-crystal X-ray study
T = 297 K
Mean (C-C) = 0.018 Å
R factor = 0.039
wR factor = 0.082
Data-to-parameter ratio = 22.3

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #      7
                   CD3 -CD2 -CD3 -BR3   149.90  0.02   1.556   1.555   1.555   5.565

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #     13
                   CD3 -CD2 -CD3 -BR3   -30.10  0.02   1.556   1.555   1.555   2.765

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #     20
                   CD3 -CD2 -CD3 -BR3    29.90  0.02   1.556   1.555   1.555   6.655

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #     26
                   CD3 -CD2 -CD3 -BR3    89.90  0.02   1.556   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #     33
                   CD3 -CD2 -CD3 -BR3   -90.10  0.02   1.556   1.555   1.555   4.775

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #     39
                   CD3 -CD2 -CD3 -BR3  -150.10  0.02   1.556   1.555   1.555   3.675

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #     40
                   BR3 -CD2 -CD3 -CD2     0.00  0.00   1.555   1.555   1.555   1.554

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #     41
                   BR3 -CD2 -CD3 -CD2     0.00  0.00   4.776   1.555   1.555   1.554

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #     42
                   BR3 -CD2 -CD3 -CD2     0.00  0.00   6.656   1.555   1.555   1.554

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #     43
                   BR3 -CD2 -CD3 -CD2     0.00  0.00   2.765   1.555   1.555   1.554

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #     44
                   BR3 -CD2 -CD3 -CD2     0.00  0.00   5.566   1.555   1.555   1.554

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #     45
                   BR3 -CD2 -CD3 -CD2     0.00  0.00   3.675   1.555   1.555   1.554

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #     46
                   CD3 -CD2 -CD3 -CD2     0.00  0.00   1.556   1.555   1.555   1.554

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #     50
                   BR3 -CD3 -BR3 -CD2   -79.00100.00   4.775   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #     53
                   BR3 -CD2 -BR3 -CD3    79.00100.00   4.776   1.555   1.555   1.555

PLAT_733  Alert C Torsion Calc  -136.50(3), Rep  -136.49(1) ....       3.00 s.u-Ratio
                     BR3 -CD3 -BR3 -CD2    5.565   1.555   1.555   1.555

PLAT_733  Alert C Torsion Calc    43.50(3), Rep    43.51(1) ....       3.00 s.u-Ratio
                     BR3 -CD3 -BR3 -CD2    2.765   1.555   1.555   1.555

PLAT_733  Alert C Torsion Calc   136.50(3), Rep   136.49(1) ....       3.00 s.u-Ratio
                     BR3 -CD3 -BR3 -CD2    6.655   1.555   1.555   1.555

PLAT_733  Alert C Torsion Calc   -43.50(3), Rep   -43.51(1) ....       3.00 s.u-Ratio
                     BR3 -CD3 -BR3 -CD2    3.675   1.555   1.555   1.555

PLAT_733  Alert C Torsion Calc  -136.52(3), Rep  -136.52(1) ....       3.00 s.u-Ratio
                     BR3 -CD2 -BR3 -CD3    6.656   1.555   1.555   1.555

PLAT_733  Alert C Torsion Calc   -43.48(3), Rep   -43.48(1) ....       3.00 s.u-Ratio
                     BR3 -CD2 -BR3 -CD3    2.765   1.555   1.555   1.555

PLAT_733  Alert C Torsion Calc   136.52(3), Rep   136.52(1) ....       3.00 s.u-Ratio
                     BR3 -CD2 -BR3 -CD3    5.566   1.555   1.555   1.555

PLAT_733  Alert C Torsion Calc    43.48(3), Rep    43.48(1) ....       3.00 s.u-Ratio
                     BR3 -CD2 -BR3 -CD3    3.675   1.555   1.555   1.555

PLAT_743  Alert C Torsion Calc    60.00(4), Rep       60.00 ....    Missing s.u.
                     BR3 -CD2 -CD3 -BR3    1.555   1.555   1.555   5.565

PLAT_743  Alert C Torsion Calc  -120.00(4), Rep     -120.00 ....    Missing s.u.
                     BR3 -CD2 -CD3 -BR3    4.776   1.555   1.555   5.565

PLAT_743  Alert C Torsion Calc   120.00(4), Rep      120.00 ....    Missing s.u.
                     BR3 -CD2 -CD3 -BR3    6.656   1.555   1.555   5.565

PLAT_743  Alert C Torsion Calc     0.00(6), Rep        0.00 ....    Missing s.u.
                     BR3 -CD2 -CD3 -BR3    5.566   1.555   1.555   5.565

PLAT_743  Alert C Torsion Calc   -60.00(4), Rep      -60.00 ....    Missing s.u.
                     BR3 -CD2 -CD3 -BR3    3.675   1.555   1.555   5.565

PLAT_743  Alert C Torsion Calc  -120.00(4), Rep     -120.00 ....    Missing s.u.
                     BR3 -CD2 -CD3 -BR3    1.555   1.555   1.555   2.765

PLAT_743  Alert C Torsion Calc    60.00(4), Rep       60.00 ....    Missing s.u.
                     BR3 -CD2 -CD3 -BR3    4.776   1.555   1.555   2.765

PLAT_743  Alert C Torsion Calc   -60.00(4), Rep      -60.00 ....    Missing s.u.
                     BR3 -CD2 -CD3 -BR3    6.656   1.555   1.555   2.765

PLAT_743  Alert C Torsion Calc   120.00(4), Rep      120.00 ....    Missing s.u.
                     BR3 -CD2 -CD3 -BR3    3.675   1.555   1.555   2.765

PLAT_743  Alert C Torsion Calc   -60.00(4), Rep      -60.00 ....    Missing s.u.
                     BR3 -CD2 -CD3 -BR3    1.555   1.555   1.555   6.655

PLAT_743  Alert C Torsion Calc   120.00(4), Rep      120.00 ....    Missing s.u.
                     BR3 -CD2 -CD3 -BR3    4.776   1.555   1.555   6.655

PLAT_743  Alert C Torsion Calc    60.00(4), Rep       60.00 ....    Missing s.u.
                     BR3 -CD2 -CD3 -BR3    2.765   1.555   1.555   6.655

PLAT_743  Alert C Torsion Calc  -120.00(4), Rep     -120.00 ....    Missing s.u.
                     BR3 -CD2 -CD3 -BR3    5.566   1.555   1.555   6.655

PLAT_743  Alert C Torsion Calc    60.00(4), Rep       60.00 ....    Missing s.u.
                     BR3 -CD2 -CD3 -BR3    6.656   1.555   1.555   1.555

PLAT_743  Alert C Torsion Calc   120.00(4), Rep      120.00 ....    Missing s.u.
                     BR3 -CD2 -CD3 -BR3    2.765   1.555   1.555   1.555

PLAT_743  Alert C Torsion Calc   -60.00(4), Rep      -60.00 ....    Missing s.u.
                     BR3 -CD2 -CD3 -BR3    5.566   1.555   1.555   1.555

PLAT_743  Alert C Torsion Calc  -120.00(4), Rep     -120.00 ....    Missing s.u.
                     BR3 -CD2 -CD3 -BR3    3.675   1.555   1.555   1.555

PLAT_743  Alert C Torsion Calc     0.00(5), Rep        0.00 ....    Missing s.u.
                     BR3 -CD2 -CD3 -BR3    4.776   1.555   1.555   4.775

PLAT_743  Alert C Torsion Calc  -120.00(4), Rep     -120.00 ....    Missing s.u.
                     BR3 -CD2 -CD3 -BR3    6.656   1.555   1.555   4.775

PLAT_743  Alert C Torsion Calc   -60.00(4), Rep      -60.00 ....    Missing s.u.
                     BR3 -CD2 -CD3 -BR3    2.765   1.555   1.555   4.775

PLAT_743  Alert C Torsion Calc   120.00(4), Rep      120.00 ....    Missing s.u.
                     BR3 -CD2 -CD3 -BR3    5.566   1.555   1.555   4.775

PLAT_743  Alert C Torsion Calc    60.00(4), Rep       60.00 ....    Missing s.u.
                     BR3 -CD2 -CD3 -BR3    3.675   1.555   1.555   4.775

PLAT_743  Alert C Torsion Calc   120.00(4), Rep      120.00 ....    Missing s.u.
                     BR3 -CD2 -CD3 -BR3    1.555   1.555   1.555   3.675

PLAT_743  Alert C Torsion Calc   -60.00(4), Rep      -60.00 ....    Missing s.u.
                     BR3 -CD2 -CD3 -BR3    4.776   1.555   1.555   3.675

PLAT_743  Alert C Torsion Calc  -120.00(4), Rep     -120.00 ....    Missing s.u.
                     BR3 -CD2 -CD3 -BR3    2.765   1.555   1.555   3.675

PLAT_743  Alert C Torsion Calc    60.00(4), Rep       60.00 ....    Missing s.u.
                     BR3 -CD2 -CD3 -BR3    5.566   1.555   1.555   3.675

General Notes



FORMU_01  There is a discrepancy between the atom counts in the
          _chemical_formula_sum and _chemical_formula_moiety. This is
          usually due to the moiety formula being in the wrong format.
          Atom count from _chemical_formula_sum:   C12 H36 Br7 Cd2 N3
          Atom count from _chemical_formula_moiety:C12 H33 Br7 Cd2 N3

ABSTM_02  When printed, the submitted absorption T values will be replaced
          by the scaled T values. Since the ratio of scaled T's is
          identical to the ratio of reported T values, the scaling does
          not imply a change to the absorption corrections used in the
          study.
          Ratio of Tmax expected/reported      0.897
          Tmax scaled      0.452 Tmin scaled      0.308


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 49 Alert Level C = Please check

Computing details top

Data collection: SMART (Bruker, 1997-1998); cell refinement: SMART; data reduction: SAINT-Plus (Bruker, 1999); program(s) used to solve structure: XS in SHELXTL (Bruker, 1998); program(s) used to refine structure: XL in SHELXTL; molecular graphics: XP in SHELXTL; software used to prepare material for publication: XCIF in SHELXTL.

(I) top

Crystal data top

(C₄H₁₁N)₃[Cd₂Br₇]	D_x = 2.350 Mg m⁻³
M_r = 1006.61	Mo Kα radiation, λ = 0.71073 Å
Trigonal, P3	Cell parameters from 776 reflections
a = 15.5665 (11) Å	θ = 2.6–18.6°
c = 6.7777 (6) Å	µ = 11.33 mm⁻¹
V = 1422.31 (19) Å³	T = 297 K
Z = 2	Hexagon, colorless
F(000) = 940	0.12 × 0.09 × 0.07 mm

Data collection top

Siemens SMART 1K diffractometer	1675 independent reflections
Radiation source: normal-focus sealed tube	1137 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.078
Detector resolution: 8.3 pixels mm^-1	θ_max = 25.0°, θ_min = 2.6°
ω scans	h = −18→18
Absorption correction: empirical (using intensity measurements) (SADABS; Bruker, 1999)	k = −18→18
T_min = 0.343, T_max = 0.504	l = −8→8
15545 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) = 0.082	w = 1/[σ²(F_o²) + (0.0288P)² + 3.3912P] where P = (F_o² + 2F_c²)/3
S = 1.02	(Δ/σ)_max < 0.001
1675 reflections	Δρ_max = 1.61 e Å⁻³
75 parameters	Δρ_min = −0.58 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: 0.0027 (2)

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	0.6667	0.3333	0.15798 (16)	0.0552 (3)
Cd2	1.0000	1.0000	0.5000	0.0466 (4)
Cd3	1.0000	1.0000	0.0000	0.0471 (4)
Br1	0.6667	0.3333	−0.2297 (2)	0.0654 (4)
Br2	0.72593 (8)	0.51568 (6)	0.25058 (14)	0.0736 (3)
Br3	0.91830 (6)	0.83611 (6)	0.24983 (11)	0.0500 (3)
N3	0.4059 (6)	0.1582 (6)	0.7506 (12)	0.089 (2)
H3A	0.4477	0.1856	0.6482	0.106*
H3B	0.4418	0.1812	0.8619	0.106*
C4	0.3333 (7)	0.1917 (8)	0.7451 (15)	0.091 (3)
H4A	0.2875	0.1633	0.8548	0.109*
H4B	0.2955	0.1701	0.6235	0.109*
C5	0.3868 (9)	0.3031 (8)	0.7579 (16)	0.113 (4)
H5A	0.3394	0.3255	0.7543	0.169*
H5B	0.4315	0.3309	0.6484	0.169*
H5C	0.4235	0.3241	0.8790	0.169*
C2	0.3650 (8)	0.0514 (8)	0.7430 (16)	0.098 (4)
H2A	0.3207	0.0208	0.8541	0.118*
H2B	0.3266	0.0255	0.6229	0.118*
C1	0.4427 (9)	0.0259 (8)	0.7482 (16)	0.106 (4)
H1A	0.4135	−0.0449	0.7430	0.159*
H1B	0.4800	0.0506	0.8679	0.159*
H1C	0.4859	0.0553	0.6370	0.159*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Cd1	0.0483 (4)	0.0483 (4)	0.0688 (7)	0.0242 (2)	0.000	0.000
Cd2	0.0547 (6)	0.0547 (6)	0.0306 (7)	0.0273 (3)	0.000	0.000
Cd3	0.0544 (6)	0.0544 (6)	0.0324 (7)	0.0272 (3)	0.000	0.000
Br1	0.0676 (7)	0.0676 (7)	0.0611 (9)	0.0338 (3)	0.000	0.000
Br2	0.0989 (8)	0.0522 (6)	0.0695 (6)	0.0375 (5)	−0.0004 (5)	−0.0042 (4)
Br3	0.0602 (5)	0.0444 (5)	0.0417 (4)	0.0233 (4)	0.0002 (4)	0.0004 (3)
N3	0.087 (6)	0.100 (7)	0.082 (6)	0.049 (6)	−0.002 (5)	−0.007 (5)
C4	0.072 (7)	0.125 (10)	0.093 (8)	0.062 (8)	−0.003 (6)	−0.001 (7)
C5	0.147 (11)	0.096 (9)	0.124 (10)	0.082 (9)	−0.026 (8)	−0.020 (7)
C2	0.099 (9)	0.070 (8)	0.115 (9)	0.036 (7)	−0.013 (7)	−0.021 (6)
C1	0.126 (10)	0.091 (8)	0.109 (9)	0.060 (8)	0.003 (8)	0.014 (7)

Geometric parameters (Å, º) top

Cd1—Br2ⁱ	2.5853 (9)	Cd3—Cd2^xii	3.3888 (3)
Cd1—Br2ⁱⁱ	2.5853 (9)	N3—C2	1.453 (11)
Cd1—Br2	2.5853 (9)	N3—C4	1.465 (11)
Cd1—Br1	2.6279 (19)	N3—H3A	0.9000
Cd2—Br3	2.7850 (8)	N3—H3B	0.9000
Cd2—Br3ⁱⁱⁱ	2.7850 (8)	C4—C5	1.504 (14)
Cd2—Br3^iv	2.7850 (8)	C4—H4A	0.9700
Cd2—Br3^v	2.7850 (8)	C4—H4B	0.9700
Cd2—Br3^vi	2.7850 (8)	C5—H5A	0.9600
Cd2—Br3^vii	2.7850 (8)	C5—H5B	0.9600
Cd2—Cd3^viii	3.3888 (3)	C5—H5C	0.9600
Cd2—Cd3	3.3888 (3)	C2—C1	1.449 (13)
Cd3—Br3^ix	2.7836 (8)	C2—H2A	0.9700
Cd3—Br3^v	2.7836 (8)	C2—H2B	0.9700
Cd3—Br3^x	2.7836 (8)	C1—H1A	0.9600
Cd3—Br3	2.7836 (8)	C1—H1B	0.9600
Cd3—Br3^xi	2.7836 (8)	C1—H1C	0.9600
Cd3—Br3^vii	2.7836 (8)

Br2ⁱ—Cd1—Br2ⁱⁱ	114.31 (2)	Br3—Cd3—Br3^vii	86.84 (2)
Br2ⁱ—Cd1—Br2	114.31 (2)	Br3^xi—Cd3—Br3^vii	93.16 (2)
Br2ⁱⁱ—Cd1—Br2	114.31 (2)	Br3^ix—Cd3—Cd2	127.467 (16)
Br2ⁱ—Cd1—Br1	104.05 (3)	Br3^v—Cd3—Cd2	52.533 (16)
Br2ⁱⁱ—Cd1—Br1	104.05 (3)	Br3^x—Cd3—Cd2	127.467 (16)
Br2—Cd1—Br1	104.05 (3)	Br3—Cd3—Cd2	52.533 (16)
Br3—Cd2—Br3ⁱⁱⁱ	180.0	Br3^xi—Cd3—Cd2	127.467 (15)
Br3—Cd2—Br3^iv	93.21 (2)	Br3^vii—Cd3—Cd2	52.533 (16)
Br3ⁱⁱⁱ—Cd2—Br3^iv	86.79 (2)	Br3^ix—Cd3—Cd2^xii	52.533 (16)
Br3—Cd2—Br3^v	86.79 (2)	Br3^v—Cd3—Cd2^xii	127.467 (16)
Br3ⁱⁱⁱ—Cd2—Br3^v	93.21 (2)	Br3^x—Cd3—Cd2^xii	52.533 (16)
Br3^iv—Cd2—Br3^v	93.21 (2)	Br3—Cd3—Cd2^xii	127.467 (16)
Br3—Cd2—Br3^vi	93.21 (2)	Br3^xi—Cd3—Cd2^xii	52.533 (15)
Br3ⁱⁱⁱ—Cd2—Br3^vi	86.79 (2)	Br3^vii—Cd3—Cd2^xii	127.467 (16)
Br3^iv—Cd2—Br3^vi	86.79 (2)	Cd2—Cd3—Cd2^xii	180.0
Br3^v—Cd2—Br3^vi	180.0	Cd3—Br3—Cd2	74.97 (2)
Br3—Cd2—Br3^vii	86.79 (2)	C2—N3—C4	115.6 (9)
Br3ⁱⁱⁱ—Cd2—Br3^vii	93.21 (2)	C2—N3—H3A	108.4
Br3^iv—Cd2—Br3^vii	180.0	C4—N3—H3A	108.4
Br3^v—Cd2—Br3^vii	86.79 (2)	C2—N3—H3B	108.4
Br3^vi—Cd2—Br3^vii	93.21 (2)	C4—N3—H3B	108.4
Br3—Cd2—Cd3^viii	127.505 (16)	H3A—N3—H3B	107.4
Br3ⁱⁱⁱ—Cd2—Cd3^viii	52.495 (16)	N3—C4—C5	109.2 (9)
Br3^iv—Cd2—Cd3^viii	52.495 (16)	N3—C4—H4A	109.8
Br3^v—Cd2—Cd3^viii	127.505 (16)	C5—C4—H4A	109.8
Br3^vi—Cd2—Cd3^viii	52.495 (16)	N3—C4—H4B	109.8
Br3^vii—Cd2—Cd3^viii	127.505 (16)	C5—C4—H4B	109.8
Br3—Cd2—Cd3	52.495 (16)	H4A—C4—H4B	108.3
Br3ⁱⁱⁱ—Cd2—Cd3	127.505 (16)	C4—C5—H5A	109.5
Br3^iv—Cd2—Cd3	127.505 (16)	C4—C5—H5B	109.5
Br3^v—Cd2—Cd3	52.495 (16)	H5A—C5—H5B	109.5
Br3^vi—Cd2—Cd3	127.505 (16)	C4—C5—H5C	109.5
Br3^vii—Cd2—Cd3	52.495 (16)	H5A—C5—H5C	109.5
Cd3^viii—Cd2—Cd3	180.0	H5B—C5—H5C	109.5
Br3^ix—Cd3—Br3^v	180.0	C1—C2—N3	111.3 (9)
Br3^ix—Cd3—Br3^x	86.84 (2)	C1—C2—H2A	109.4
Br3^v—Cd3—Br3^x	93.16 (2)	N3—C2—H2A	109.4
Br3^ix—Cd3—Br3	93.16 (2)	C1—C2—H2B	109.4
Br3^v—Cd3—Br3	86.84 (2)	N3—C2—H2B	109.4
Br3^x—Cd3—Br3	93.16 (2)	H2A—C2—H2B	108.0
Br3^ix—Cd3—Br3^xi	86.84 (2)	C2—C1—H1A	109.5
Br3^v—Cd3—Br3^xi	93.16 (2)	C2—C1—H1B	109.5
Br3^x—Cd3—Br3^xi	86.84 (2)	H1A—C1—H1B	109.5
Br3—Cd3—Br3^xi	180.0	C2—C1—H1C	109.5
Br3^ix—Cd3—Br3^vii	93.16 (2)	H1A—C1—H1C	109.5
Br3^v—Cd3—Br3^vii	86.84 (2)	H1B—C1—H1C	109.5
Br3^x—Cd3—Br3^vii	180.0

Br3—Cd2—Cd3—Br3^ix	60.0	Br3^vi—Cd2—Cd3—Br3^xi	120.0
Br3ⁱⁱⁱ—Cd2—Cd3—Br3^ix	−120.0	Br3^vii—Cd2—Cd3—Br3^xi	60.0
Br3^iv—Cd2—Cd3—Br3^ix	120.0	Cd3^viii—Cd2—Cd3—Br3^xi	−90.10 (2)
Br3^v—Cd2—Cd3—Br3^ix	180.0	Br3—Cd2—Cd3—Br3^vii	120.0
Br3^vi—Cd2—Cd3—Br3^ix	0.0	Br3ⁱⁱⁱ—Cd2—Cd3—Br3^vii	−60.0
Br3^vii—Cd2—Cd3—Br3^ix	−60.0	Br3^iv—Cd2—Cd3—Br3^vii	180.0
Cd3^viii—Cd2—Cd3—Br3^ix	149.90 (2)	Br3^v—Cd2—Cd3—Br3^vii	−120.0
Br3—Cd2—Cd3—Br3^v	−120.0	Br3^vi—Cd2—Cd3—Br3^vii	60.0
Br3ⁱⁱⁱ—Cd2—Cd3—Br3^v	60.0	Cd3^viii—Cd2—Cd3—Br3^vii	−150.10 (2)
Br3^iv—Cd2—Cd3—Br3^v	−60.0	Br3—Cd2—Cd3—Cd2^xii	0.0
Br3^vi—Cd2—Cd3—Br3^v	180.0	Br3ⁱⁱⁱ—Cd2—Cd3—Cd2^xii	0.0
Br3^vii—Cd2—Cd3—Br3^v	120.0	Br3^iv—Cd2—Cd3—Cd2^xii	0.0
Cd3^viii—Cd2—Cd3—Br3^v	−30.10 (2)	Br3^v—Cd2—Cd3—Cd2^xii	0.0
Br3—Cd2—Cd3—Br3^x	−60.0	Br3^vi—Cd2—Cd3—Cd2^xii	0.0
Br3ⁱⁱⁱ—Cd2—Cd3—Br3^x	120.0	Br3^vii—Cd2—Cd3—Cd2^xii	0.0
Br3^iv—Cd2—Cd3—Br3^x	0.0	Cd3^viii—Cd2—Cd3—Cd2^xii	0.0
Br3^v—Cd2—Cd3—Br3^x	60.0	Br3^ix—Cd3—Br3—Cd2	−136.495 (10)
Br3^vi—Cd2—Cd3—Br3^x	−120.0	Br3^v—Cd3—Br3—Cd2	43.505 (10)
Br3^vii—Cd2—Cd3—Br3^x	180.0	Br3^x—Cd3—Br3—Cd2	136.495 (10)
Cd3^viii—Cd2—Cd3—Br3^x	29.90 (2)	Br3^xi—Cd3—Br3—Cd2	−79 (100)
Br3ⁱⁱⁱ—Cd2—Cd3—Br3	180.0	Br3^vii—Cd3—Br3—Cd2	−43.505 (10)
Br3^iv—Cd2—Cd3—Br3	60.0	Cd2^xii—Cd3—Br3—Cd2	180.0
Br3^v—Cd2—Cd3—Br3	120.0	Br3ⁱⁱⁱ—Cd2—Br3—Cd3	79 (100)
Br3^vi—Cd2—Cd3—Br3	−60.0	Br3^iv—Cd2—Br3—Cd3	−136.520 (10)
Br3^vii—Cd2—Cd3—Br3	−120.0	Br3^v—Cd2—Br3—Cd3	−43.480 (10)
Cd3^viii—Cd2—Cd3—Br3	89.90 (2)	Br3^vi—Cd2—Br3—Cd3	136.520 (10)
Br3—Cd2—Cd3—Br3^xi	180.0	Br3^vii—Cd2—Br3—Cd3	43.480 (10)
Br3ⁱⁱⁱ—Cd2—Cd3—Br3^xi	0.0	Cd3^viii—Cd2—Br3—Cd3	180.0
Br3^iv—Cd2—Cd3—Br3^xi	−120.0	C2—N3—C4—C5	179.0 (9)
Br3^v—Cd2—Cd3—Br3^xi	−60.0	C4—N3—C2—C1	179.7 (9)

Symmetry codes: (i) −x+y+1, −x+1, z; (ii) −y+1, x−y, z; (iii) −x+2, −y+2, −z+1; (iv) x−y+1, x, −z+1; (v) −y+2, x−y+1, z; (vi) y, −x+y+1, −z+1; (vii) −x+y+1, −x+2, z; (viii) x, y, z+1; (ix) y, −x+y+1, −z; (x) x−y+1, x, −z; (xi) −x+2, −y+2, −z; (xii) x, y, z−1.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
N3—H3A···Br2ⁱⁱ	0.90	2.74	3.556 (8)	151
N3—H3B···Br2^xiii	0.90	2.70	3.555 (8)	160

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

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Diethyl­ammonium heptabromidedicadmium(II)

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Diethylammonium heptabromidedicadmium(II)