The title compound, {(C6H14N)[CdBr3]}n, self-assembles into a layered structure consisting of alternating organic and inorganic layers, with the two Cd atoms on inversion centres. In the inorganic layer, octahedral CdBr6 units share faces to form a one-dimensional perhalometallate chain, which interacts with the ammonium groups of the cations through hydrogen bonds, forming a two-dimensional hydrogen-bonded sheet.
Supporting information
CCDC reference: 640282
Key indicators
- Single-crystal X-ray study
- T = 295 K
- Mean (C-C) = 0.013 Å
- R factor = 0.033
- wR factor = 0.089
- Data-to-parameter ratio = 36.1
checkCIF/PLATON results
No syntax errors found
Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ?
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 13
PLAT360_ALERT_2_C Short C(sp3)-C(sp3) Bond C4 - C5 ... 1.41 Ang.
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 9
BR1 -CD1 -BR1 -CD2 12.00 0.00 3.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 15
CD1 -BR2 -CD2 -BR2 14.00 0.00 1.455 1.555 1.555 3.455
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 23
CD1 -BR1 -CD2 -BR1 6.00 0.00 1.555 1.555 1.555 3.455
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 31
CD1 -BR3 -CD2 -BR3 7.00 0.00 1.455 1.555 1.555 3.455
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 39
CD2 -CD1 -CD2 -BR2 0.00 0.00 1.655 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 45
CD2 -CD1 -CD2 -BR2 0.00 0.00 1.655 1.555 1.555 3.455
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 52
CD2 -CD1 -CD2 -BR1 0.00 0.00 1.655 1.555 1.555 3.455
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 58
CD2 -CD1 -CD2 -BR1 0.00 0.00 1.655 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 65
CD2 -CD1 -CD2 -BR3 0.00 0.00 1.655 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 71
CD2 -CD1 -CD2 -BR3 0.00 0.00 1.655 1.555 1.555 3.455
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 72
BR1 -CD1 -CD2 -CD1 0.00 0.00 1.555 1.555 1.555 1.455
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 73
BR1 -CD1 -CD2 -CD1 0.00 0.00 3.555 1.555 1.555 1.455
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 74
BR2 -CD1 -CD2 -CD1 0.00 0.00 3.455 1.555 1.555 1.455
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 75
BR2 -CD1 -CD2 -CD1 0.00 0.00 1.655 1.555 1.555 1.455
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 76
BR3 -CD1 -CD2 -CD1 0.00 0.00 1.655 1.555 1.555 1.455
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 77
BR3 -CD1 -CD2 -CD1 0.00 0.00 3.455 1.555 1.555 1.455
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 78
CD2 -CD1 -CD2 -CD1 0.00 0.00 1.655 1.555 1.555 1.455
PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) . 1.26 Ratio
0 ALERT level A = In general: serious problem
0 ALERT level B = Potentially serious problem
21 ALERT level C = Check and explain
0 ALERT level G = General alerts; check
1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
1 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
18 ALERT type 4 Improvement, methodology, query or suggestion
0 ALERT type 5 Informative message, check
Data collection: CrysAlis CCD (Oxford Diffraction, 2006); cell refinement: CrysAlis RED (Oxford Diffraction, 2006); data reduction: CrysAlis RED; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997) and Mercury (Bruno et al., 2002); software used to prepare material for publication: PLATON (Spek, 2003) and WinGX (Farrugia, 1999).
catena-Poly[cyclohexylammonium [cadmium(II)-tri-µ-bromido]]
top
Crystal data top
(C6H14N)[CdBr3] | F(000) = 840 |
Mr = 452.31 | Dx = 2.596 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ybc | Cell parameters from 5306 reflections |
a = 6.8783 (5) Å | θ = 3.8–32.1° |
b = 21.3163 (13) Å | µ = 12.20 mm−1 |
c = 10.0532 (7) Å | T = 295 K |
β = 128.276 (4)° | Block, colourless |
V = 1157.14 (14) Å3 | 0.25 × 0.20 × 0.20 mm |
Z = 4 | |
Data collection top
Oxford Excalibur2 diffractometer | 3723 independent reflections |
Radiation source: fine-focus sealed tube | 2701 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.026 |
ω–2θ scans | θmax = 32.1°, θmin = 3.8° |
Absorption correction: multi-scan (Blessing, 1995) | h = −6→10 |
Tmin = 0.062, Tmax = 0.089 | k = −30→30 |
11801 measured reflections | l = −14→15 |
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)] = 0.033 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.089 | H-atom parameters constrained |
S = 1.18 | w = 1/[σ2(Fo2) + (0.0354P)2 + 0.9923P] where P = (Fo2 + 2Fc2)/3 |
3723 reflections | (Δ/σ)max < 0.001 |
103 parameters | Δρmax = 0.88 e Å−3 |
0 restraints | Δρmin = −1.47 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 | Uiso*/Ueq | |
Cd1 | 0.0000 | 0.0000 | 0.0000 | 0.03358 (12) | |
N1 | −0.1430 (10) | 0.0801 (2) | 0.5378 (6) | 0.0544 (12) | |
H1A | −0.2614 | 0.0521 | 0.5034 | 0.082* | |
H1B | −0.0517 | 0.0853 | 0.6493 | 0.082* | |
H1C | −0.0472 | 0.0666 | 0.5122 | 0.082* | |
C1 | −0.2583 (10) | 0.1415 (2) | 0.4506 (7) | 0.0475 (13) | |
H1 | −0.3515 | 0.1348 | 0.3287 | 0.057* | |
C2 | −0.4341 (12) | 0.1628 (3) | 0.4781 (9) | 0.0621 (16) | |
H2A | −0.3498 | 0.1648 | 0.5989 | 0.075* | |
H2B | −0.5669 | 0.1324 | 0.4295 | 0.075* | |
C6 | −0.0666 (12) | 0.1882 (3) | 0.5044 (10) | 0.0670 (18) | |
H6A | 0.0335 | 0.1740 | 0.4726 | 0.080* | |
H6B | 0.0407 | 0.1919 | 0.6269 | 0.080* | |
C3 | −0.5437 (14) | 0.2264 (4) | 0.4007 (11) | 0.086 (2) | |
H3A | −0.6577 | 0.2226 | 0.2783 | 0.103* | |
H3B | −0.6361 | 0.2413 | 0.4380 | 0.103* | |
C5 | −0.1741 (16) | 0.2521 (3) | 0.4264 (10) | 0.083 (2) | |
H5A | −0.0403 | 0.2823 | 0.4760 | 0.099* | |
H5B | −0.2566 | 0.2501 | 0.3059 | 0.099* | |
C4 | −0.3443 (19) | 0.2731 (3) | 0.4509 (11) | 0.092 (3) | |
H4A | −0.4222 | 0.3112 | 0.3859 | 0.111* | |
H4B | −0.2540 | 0.2835 | 0.5696 | 0.111* | |
Br1 | −0.21794 (8) | −0.10080 (2) | 0.03106 (5) | 0.03248 (12) | |
Br2 | −0.94765 (8) | −0.05928 (2) | −0.22207 (6) | 0.03447 (12) | |
Br3 | −0.51088 (8) | −0.04025 (2) | 0.26206 (6) | 0.03505 (12) | |
Cd2 | −0.5000 | 0.0000 | 0.0000 | 0.03220 (12) | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Cd1 | 0.0287 (2) | 0.0434 (3) | 0.0350 (2) | −0.00272 (19) | 0.0228 (2) | −0.0023 (2) |
N1 | 0.065 (3) | 0.032 (2) | 0.047 (3) | 0.003 (2) | 0.025 (2) | −0.004 (2) |
C1 | 0.057 (3) | 0.037 (3) | 0.034 (2) | −0.001 (2) | 0.021 (2) | 0.001 (2) |
C2 | 0.059 (4) | 0.053 (4) | 0.081 (4) | −0.001 (3) | 0.047 (4) | 0.006 (3) |
C6 | 0.069 (4) | 0.061 (4) | 0.092 (5) | −0.014 (3) | 0.060 (4) | −0.007 (4) |
C3 | 0.068 (5) | 0.074 (5) | 0.099 (6) | 0.027 (4) | 0.043 (5) | 0.023 (4) |
C5 | 0.110 (6) | 0.055 (4) | 0.090 (5) | −0.018 (4) | 0.066 (5) | 0.015 (4) |
C4 | 0.146 (8) | 0.036 (3) | 0.097 (6) | 0.022 (5) | 0.077 (6) | 0.017 (4) |
Br1 | 0.0329 (2) | 0.0280 (2) | 0.0347 (2) | −0.00001 (16) | 0.0200 (2) | −0.00171 (17) |
Br2 | 0.0317 (2) | 0.0386 (2) | 0.0333 (2) | −0.00646 (18) | 0.0202 (2) | −0.01052 (18) |
Br3 | 0.0306 (2) | 0.0419 (3) | 0.0288 (2) | 0.00096 (18) | 0.01647 (18) | 0.00515 (18) |
Cd2 | 0.0234 (2) | 0.0413 (3) | 0.0324 (2) | 0.00016 (18) | 0.01758 (19) | −0.00143 (19) |
Geometric parameters (Å, º) top
Cd1—Br1 | 2.7462 (5) | C6—H6A | 0.9700 |
Cd1—Br1i | 2.7462 (5) | C6—H6B | 0.9700 |
Cd1—Br2ii | 2.7761 (5) | C3—C4 | 1.506 (11) |
Cd1—Br2iii | 2.7761 (5) | C3—H3A | 0.9700 |
Cd1—Br3iii | 2.8310 (5) | C3—H3B | 0.9700 |
Cd1—Br3ii | 2.8310 (5) | C5—C4 | 1.410 (10) |
Cd1—Cd2iii | 3.4392 (3) | C5—H5A | 0.9700 |
Cd1—Cd2 | 3.4392 (3) | C5—H5B | 0.9700 |
N1—C1 | 1.498 (7) | C4—H4A | 0.9700 |
N1—H1A | 0.8900 | C4—H4B | 0.9700 |
N1—H1B | 0.8900 | Br1—Cd2 | 2.7799 (5) |
N1—H1C | 0.8900 | Br2—Cd2 | 2.7469 (5) |
C1—C6 | 1.463 (8) | Br2—Cd1iv | 2.7761 (5) |
C1—C2 | 1.469 (8) | Br3—Cd2 | 2.8154 (5) |
C1—H1 | 0.9800 | Br3—Cd1iv | 2.8310 (5) |
C2—C3 | 1.511 (9) | Cd2—Br2ii | 2.7469 (5) |
C2—H2A | 0.9700 | Cd2—Br1ii | 2.7799 (5) |
C2—H2B | 0.9700 | Cd2—Br3ii | 2.8154 (5) |
C6—C5 | 1.517 (10) | Cd2—Cd1iv | 3.4392 (3) |
| | | |
Br1—Cd1—Br1i | 180.000 (12) | H6A—C6—H6B | 107.8 |
Br1—Cd1—Br2ii | 85.001 (14) | C4—C3—C2 | 111.1 (6) |
Br1i—Cd1—Br2ii | 94.999 (14) | C4—C3—H3A | 109.4 |
Br1—Cd1—Br2iii | 94.999 (14) | C2—C3—H3A | 109.4 |
Br1i—Cd1—Br2iii | 85.001 (13) | C4—C3—H3B | 109.4 |
Br2ii—Cd1—Br2iii | 180.00 (2) | C2—C3—H3B | 109.4 |
Br1—Cd1—Br3iii | 94.292 (14) | H3A—C3—H3B | 108.0 |
Br1i—Cd1—Br3iii | 85.708 (14) | C4—C5—C6 | 112.7 (6) |
Br2ii—Cd1—Br3iii | 93.494 (15) | C4—C5—H5A | 109.1 |
Br2iii—Cd1—Br3iii | 86.506 (15) | C6—C5—H5A | 109.1 |
Br1—Cd1—Br3ii | 85.708 (14) | C4—C5—H5B | 109.1 |
Br1i—Cd1—Br3ii | 94.292 (14) | C6—C5—H5B | 109.1 |
Br2ii—Cd1—Br3ii | 86.506 (15) | H5A—C5—H5B | 107.8 |
Br2iii—Cd1—Br3ii | 93.494 (14) | C5—C4—C3 | 114.5 (7) |
Br3iii—Cd1—Br3ii | 180.000 (19) | C5—C4—H4A | 108.6 |
Br1—Cd1—Cd2iii | 128.047 (9) | C3—C4—H4A | 108.6 |
Br1i—Cd1—Cd2iii | 51.953 (9) | C5—C4—H4B | 108.6 |
Br2ii—Cd1—Cd2iii | 128.893 (9) | C3—C4—H4B | 108.6 |
Br2iii—Cd1—Cd2iii | 51.107 (9) | H4A—C4—H4B | 107.6 |
Br3iii—Cd1—Cd2iii | 52.270 (11) | Cd1—Br1—Cd2 | 76.973 (13) |
Br3ii—Cd1—Cd2iii | 127.730 (11) | Cd2—Br2—Cd1iv | 77.024 (12) |
Br1—Cd1—Cd2 | 51.953 (9) | Cd2—Br3—Cd1iv | 75.047 (12) |
Br1i—Cd1—Cd2 | 128.047 (9) | Br2—Cd2—Br2ii | 180.00 (3) |
Br2ii—Cd1—Cd2 | 51.107 (9) | Br2—Cd2—Br1ii | 84.915 (14) |
Br2iii—Cd1—Cd2 | 128.893 (9) | Br2ii—Cd2—Br1ii | 95.085 (14) |
Br3iii—Cd1—Cd2 | 127.730 (11) | Br2—Cd2—Br1 | 95.085 (14) |
Br3ii—Cd1—Cd2 | 52.270 (11) | Br2ii—Cd2—Br1 | 84.915 (14) |
Cd2iii—Cd1—Cd2 | 180.0 | Br1ii—Cd2—Br1 | 180.000 (12) |
C1—N1—H1A | 109.5 | Br2—Cd2—Br3 | 87.375 (14) |
C1—N1—H1B | 109.5 | Br2ii—Cd2—Br3 | 92.625 (14) |
H1A—N1—H1B | 109.5 | Br1ii—Cd2—Br3 | 85.376 (13) |
C1—N1—H1C | 109.5 | Br1—Cd2—Br3 | 94.624 (13) |
H1A—N1—H1C | 109.5 | Br2—Cd2—Br3ii | 92.625 (14) |
H1B—N1—H1C | 109.5 | Br2ii—Cd2—Br3ii | 87.375 (14) |
C6—C1—C2 | 112.2 (5) | Br1ii—Cd2—Br3ii | 94.624 (13) |
C6—C1—N1 | 110.4 (5) | Br1—Cd2—Br3ii | 85.376 (13) |
C2—C1—N1 | 111.1 (5) | Br3—Cd2—Br3ii | 180.00 (3) |
C6—C1—H1 | 107.7 | Br2—Cd2—Cd1 | 128.131 (10) |
C2—C1—H1 | 107.7 | Br2ii—Cd2—Cd1 | 51.869 (10) |
N1—C1—H1 | 107.7 | Br1ii—Cd2—Cd1 | 128.926 (9) |
C1—C2—C3 | 112.8 (6) | Br1—Cd2—Cd1 | 51.074 (9) |
C1—C2—H2A | 109.0 | Br3—Cd2—Cd1 | 127.318 (10) |
C3—C2—H2A | 109.0 | Br3ii—Cd2—Cd1 | 52.683 (10) |
C1—C2—H2B | 109.0 | Br2—Cd2—Cd1iv | 51.869 (10) |
C3—C2—H2B | 109.0 | Br2ii—Cd2—Cd1iv | 128.131 (10) |
H2A—C2—H2B | 107.8 | Br1ii—Cd2—Cd1iv | 51.074 (9) |
C1—C6—C5 | 112.4 (6) | Br1—Cd2—Cd1iv | 128.926 (9) |
C1—C6—H6A | 109.1 | Br3—Cd2—Cd1iv | 52.682 (10) |
C5—C6—H6A | 109.1 | Br3ii—Cd2—Cd1iv | 127.317 (10) |
C1—C6—H6B | 109.1 | Cd1—Cd2—Cd1iv | 180.0 |
C5—C6—H6B | 109.1 | | |
| | | |
C6—C1—C2—C3 | 52.6 (8) | Br1—Cd1—Cd2—Br2ii | 119.285 (17) |
N1—C1—C2—C3 | 176.7 (6) | Br1i—Cd1—Cd2—Br2ii | −60.715 (17) |
C2—C1—C6—C5 | −52.6 (8) | Br2iii—Cd1—Cd2—Br2ii | 180.0 |
N1—C1—C6—C5 | −177.1 (6) | Br3iii—Cd1—Cd2—Br2ii | 58.321 (19) |
C1—C2—C3—C4 | −49.7 (9) | Br3ii—Cd1—Cd2—Br2ii | −121.679 (19) |
C1—C6—C5—C4 | 52.2 (9) | Cd2iii—Cd1—Cd2—Br2ii | 0.0 |
C6—C5—C4—C3 | −50.9 (10) | Br1—Cd1—Cd2—Br1ii | 180.0 |
C2—C3—C4—C5 | 49.9 (10) | Br1i—Cd1—Cd2—Br1ii | 0.0 |
Br1i—Cd1—Br1—Cd2 | −117 (100) | Br2ii—Cd1—Cd2—Br1ii | 60.715 (17) |
Br2ii—Cd1—Br1—Cd2 | 42.956 (12) | Br2iii—Cd1—Cd2—Br1ii | −119.285 (17) |
Br2iii—Cd1—Br1—Cd2 | −137.044 (12) | Br3iii—Cd1—Cd2—Br1ii | 119.036 (17) |
Br3iii—Cd1—Br1—Cd2 | 136.097 (12) | Br3ii—Cd1—Cd2—Br1ii | −60.964 (17) |
Br3ii—Cd1—Br1—Cd2 | −43.903 (12) | Cd2iii—Cd1—Cd2—Br1ii | 0.0 |
Cd2iii—Cd1—Br1—Cd2 | 180.0 | Br1i—Cd1—Cd2—Br1 | 180.0 |
Cd1iv—Br2—Cd2—Br2ii | −144 (100) | Br2ii—Cd1—Cd2—Br1 | −119.285 (17) |
Cd1iv—Br2—Cd2—Br1ii | −42.938 (12) | Br2iii—Cd1—Cd2—Br1 | 60.715 (17) |
Cd1iv—Br2—Cd2—Br1 | 137.062 (12) | Br3iii—Cd1—Cd2—Br1 | −60.964 (17) |
Cd1iv—Br2—Cd2—Br3 | 42.649 (13) | Br3ii—Cd1—Cd2—Br1 | 119.036 (17) |
Cd1iv—Br2—Cd2—Br3ii | −137.351 (13) | Cd2iii—Cd1—Cd2—Br1 | 0.0 |
Cd1iv—Br2—Cd2—Cd1 | 180.0 | Br1—Cd1—Cd2—Br3 | 60.964 (17) |
Cd1—Br1—Cd2—Br2 | 136.466 (12) | Br1i—Cd1—Cd2—Br3 | −119.036 (17) |
Cd1—Br1—Cd2—Br2ii | −43.534 (12) | Br2ii—Cd1—Cd2—Br3 | −58.321 (19) |
Cd1—Br1—Cd2—Br1ii | 63 (100) | Br2iii—Cd1—Cd2—Br3 | 121.679 (19) |
Cd1—Br1—Cd2—Br3 | −135.765 (12) | Br3iii—Cd1—Cd2—Br3 | 0.0 |
Cd1—Br1—Cd2—Br3ii | 44.235 (12) | Br3ii—Cd1—Cd2—Br3 | 180.0 |
Cd1—Br1—Cd2—Cd1iv | 180.0 | Cd2iii—Cd1—Cd2—Br3 | 0.0 |
Cd1iv—Br3—Cd2—Br2 | −42.075 (13) | Br1—Cd1—Cd2—Br3ii | −119.036 (17) |
Cd1iv—Br3—Cd2—Br2ii | 137.925 (13) | Br1i—Cd1—Cd2—Br3ii | 60.964 (17) |
Cd1iv—Br3—Cd2—Br1ii | 43.031 (11) | Br2ii—Cd1—Cd2—Br3ii | 121.679 (19) |
Cd1iv—Br3—Cd2—Br1 | −136.969 (11) | Br2iii—Cd1—Cd2—Br3ii | −58.321 (19) |
Cd1iv—Br3—Cd2—Br3ii | 72 (100) | Br3iii—Cd1—Cd2—Br3ii | 180.0 |
Cd1iv—Br3—Cd2—Cd1 | 180.0 | Cd2iii—Cd1—Cd2—Br3ii | 0.0 |
Br1—Cd1—Cd2—Br2 | −60.715 (17) | Br1—Cd1—Cd2—Cd1iv | 0.0 |
Br1i—Cd1—Cd2—Br2 | 119.285 (17) | Br1i—Cd1—Cd2—Cd1iv | 0.0 |
Br2ii—Cd1—Cd2—Br2 | 180.0 | Br2ii—Cd1—Cd2—Cd1iv | 0.0 |
Br2iii—Cd1—Cd2—Br2 | 0.0 | Br2iii—Cd1—Cd2—Cd1iv | 0.0 |
Br3iii—Cd1—Cd2—Br2 | −121.679 (19) | Br3iii—Cd1—Cd2—Cd1iv | 0.0 |
Br3ii—Cd1—Cd2—Br2 | 58.321 (19) | Br3ii—Cd1—Cd2—Cd1iv | 0.0 |
Cd2iii—Cd1—Cd2—Br2 | 0.0 | Cd2iii—Cd1—Cd2—Cd1iv | 0.0 |
Symmetry codes: (i) −x, −y, −z; (ii) −x−1, −y, −z; (iii) x+1, y, z; (iv) x−1, y, z. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
N1—H1A···Br3 | 0.89 | 2.75 | 3.462 (5) | 138 |
N1—H1B···Br1v | 0.89 | 2.55 | 3.437 (4) | 179 |
N1—H1C···Br2ii | 0.89 | 2.90 | 3.620 (5) | 139 |
Symmetry codes: (ii) −x−1, −y, −z; (v) −x, −y, −z+1. |