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The dinuclear title molecule, [Zn2(C6H14O2PS2)4(C6H12N2)], is disposed about a centre of inversion and features a heavily distorted coordination geometry, owing to the presence of asymmetrically coordinating dithio­phosphate ligands. In the crystal structure, mol­ecules are stacked into layers, with connections between layers provided by C—H...O inter­actions.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806052007/lh2254sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806052007/lh2254Isup2.hkl
Contains datablock I

CCDC reference: 633912

Key indicators

  • Single-crystal X-ray study
  • T = 150 K
  • Mean [sigma](C-C) = 0.014 Å
  • Disorder in main residue
  • R factor = 0.080
  • wR factor = 0.175
  • Data-to-parameter ratio = 14.8

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT220_ALERT_2_A Large Non-Solvent C Ueq(max)/Ueq(min) ... 5.41 Ratio
Author Response: ...Components of the structure were found to be disordered and subsequently, modelled.
PLAT222_ALERT_3_A Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       6.27 Ratio
Author Response: ...Components of the structure were found to be disordered and subsequently, modelled.

Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.98 PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.87 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C7 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C16 PLAT301_ALERT_3_C Main Residue Disorder ......................... 21.00 Perc. PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 14 PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) . 1.11 Ratio
Alert level G ABSTM02_ALERT_3_G 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 0.870 Tmax scaled 0.870 Tmin scaled 0.611
2 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 8 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 5 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: CrystalClear (Rigaku/MSC, 2005); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: PATTY in DIRDIF92 (Beurskens et al., 1992); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976) and DIAMOND (Brandenburg, 2006); software used to prepare material for publication: SHELXL97.

µ-1,4-Diazabicyclo[2.2.2]octane-κ2N:N'- bis[bis(O,O'-diisopropyl dithiophosphato-κ2S,S')zinc(II)] top
Crystal data top
[Zn2(C6H14O2PS2)4(C6H12N2)]F(000) = 1148
Mr = 1095.96Dx = 1.387 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71070 Å
Hall symbol: -P 2ynCell parameters from 8158 reflections
a = 7.9456 (18) Åθ = 3.2–27.5°
b = 18.831 (4) ŵ = 1.40 mm1
c = 17.570 (4) ÅT = 150 K
β = 93.624 (5)°Block, pale-yellow
V = 2623.7 (11) Å30.35 × 0.15 × 0.10 mm
Z = 2
Data collection top
Rigaku AFC-12 κ/SATURN724
diffractometer
4529 independent reflections
Radiation source: fine-focus sealed tube4403 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.047
ω scansθmax = 25.0°, θmin = 6.2°
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)
h = 99
Tmin = 0.702, Tmax = 1k = 2122
54647 measured reflectionsl = 2020
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.080Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.175H-atom parameters constrained
S = 1.23 w = 1/[σ2(Fo2) + (0.0128P)2 + 24.4666P]
where P = (Fo2 + 2Fc2)/3
4529 reflections(Δ/σ)max = 0.001
306 parametersΔρmax = 0.81 e Å3
69 restraintsΔρmin = 0.97 e Å3
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Zn0.73954 (10)0.63500 (5)0.57553 (7)0.0474 (3)
S10.5964 (2)0.72857 (10)0.62899 (10)0.0363 (4)
S20.7350 (2)0.71992 (10)0.45720 (10)0.0362 (4)
S31.0246 (2)0.61156 (10)0.57980 (11)0.0345 (4)
S40.7997 (2)0.57349 (10)0.72697 (11)0.0345 (4)
P10.6422 (2)0.78278 (9)0.53372 (10)0.0278 (4)
P21.0094 (2)0.55584 (9)0.67690 (10)0.0284 (4)
O10.7702 (6)0.8455 (2)0.5505 (3)0.0346 (11)
O20.4810 (6)0.8258 (2)0.5039 (3)0.0389 (12)
O31.0340 (6)0.4757 (2)0.6520 (3)0.0336 (11)
O41.1731 (6)0.5668 (3)0.7316 (3)0.0375 (12)
N10.5902 (6)0.5516 (3)0.5299 (3)0.0351 (14)
C10.4500 (18)0.5804 (7)0.4826 (11)0.049 (4)0.50
H1A0.49290.61000.44160.058*0.50
H1B0.37900.61050.51380.058*0.50
C20.346 (2)0.5194 (5)0.4482 (11)0.044 (4)0.50
H2A0.22920.52400.46390.053*0.50
H2B0.34260.52350.39200.053*0.50
C30.4953 (19)0.5168 (7)0.5911 (7)0.043 (4)0.50
H3A0.41790.55130.61310.052*0.50
H3B0.57500.49920.63250.052*0.50
C40.396 (2)0.4555 (8)0.5553 (6)0.044 (4)0.50
H4A0.43590.41090.58010.052*0.50
H4B0.27580.46160.56550.052*0.50
C50.6944 (14)0.5004 (7)0.4967 (10)0.036 (3)0.50
H5A0.77560.48070.53620.043*0.50
H5B0.75920.52320.45700.043*0.50
C60.5876 (11)0.4416 (8)0.4617 (11)0.041 (4)0.50
H6A0.60660.43920.40660.050*0.50
H6B0.62620.39610.48490.050*0.50
C70.7367 (10)0.8996 (4)0.6073 (5)0.0435 (19)
H70.63050.88750.63210.052*
C80.8830 (11)0.8997 (6)0.6669 (6)0.062 (3)
H8A0.89220.85290.69120.093*
H8B0.86390.93580.70550.093*
H8C0.98770.91040.64250.093*
C90.715 (2)0.9697 (5)0.5671 (7)0.092 (4)
H9A0.61830.96710.52970.138*
H9B0.81710.98080.54100.138*
H9C0.69521.00700.60440.138*
C100.3187 (8)0.7902 (4)0.4859 (4)0.0433 (19)
H10A0.33070.73780.49390.052*0.91 (4)
H10B0.30300.74450.51370.052*0.09 (4)
C110.1911 (13)0.8205 (9)0.5385 (8)0.071 (5)0.91 (4)
H11A0.22660.80930.59150.107*0.91 (4)
H11B0.08000.79960.52560.107*0.91 (4)
H11C0.18470.87220.53200.107*0.91 (4)
C120.268 (2)0.8060 (9)0.4024 (5)0.061 (3)0.91 (4)
H12A0.35210.78630.37000.091*0.91 (4)
H12B0.26030.85750.39480.091*0.91 (4)
H12C0.15760.78440.38870.091*0.91 (4)
C11'0.202 (11)0.851 (4)0.508 (5)0.05 (3)0.09 (4)
H11D0.20130.85380.56370.069*0.09 (4)
H11E0.08780.84240.48620.069*0.09 (4)
H11F0.24410.89610.48830.069*0.09 (4)
C12'0.312 (10)0.784 (4)0.3983 (8)0.01 (2)0.09 (4)
H12D0.38860.74600.38380.022*0.09 (4)
H12E0.34600.82880.37620.022*0.09 (4)
H12F0.19660.77210.37920.022*0.09 (4)
C131.0259 (13)0.4190 (4)0.7104 (5)0.052 (2)
H130.97380.43830.75640.062*
C141.2025 (17)0.3938 (6)0.7321 (7)0.091 (4)
H14A1.26890.43310.75490.136*
H14B1.25510.37700.68640.136*
H14C1.19840.35490.76890.136*
C150.9178 (15)0.3620 (5)0.6756 (6)0.067 (3)
H15A0.80380.38050.66390.101*
H15B0.91300.32230.71140.101*
H15C0.96510.34560.62860.101*
C161.1924 (9)0.6210 (4)0.7908 (4)0.0394 (18)
H16A1.09600.61770.82450.047*0.58 (2)
H16B1.08280.64280.80330.047*0.42 (2)
C171.1960 (9)0.6957 (4)0.7555 (4)0.056 (5)0.58 (2)
H17A1.08120.71500.75060.083*0.58 (2)
H17B1.24110.69290.70490.083*0.58 (2)
H17C1.26780.72680.78830.083*0.58 (2)
C181.3552 (19)0.6059 (8)0.8373 (10)0.068 (6)0.58 (2)
H18A1.33740.56700.87300.102*0.58 (2)
H18B1.39090.64860.86590.102*0.58 (2)
H18C1.44270.59240.80320.102*0.58 (2)
C17'1.318 (3)0.6749 (11)0.7611 (13)0.069 (8)0.42 (2)
H17D1.26390.70110.71800.103*0.42 (2)
H17E1.41700.64970.74430.103*0.42 (2)
H17F1.35280.70820.80190.103*0.42 (2)
C18'1.281 (3)0.5805 (11)0.8592 (10)0.061 (7)0.42 (2)
H18D1.20280.54580.87890.092*0.42 (2)
H18E1.31540.61440.89960.092*0.42 (2)
H18F1.38070.55590.84230.092*0.42 (2)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Zn0.0219 (4)0.0259 (5)0.0932 (8)0.0018 (3)0.0070 (4)0.0130 (5)
S10.0392 (10)0.0362 (10)0.0344 (10)0.0051 (8)0.0092 (8)0.0008 (8)
S20.0480 (11)0.0289 (9)0.0326 (9)0.0037 (8)0.0104 (8)0.0040 (7)
S30.0228 (8)0.0398 (10)0.0415 (10)0.0005 (7)0.0063 (7)0.0030 (8)
S40.0273 (8)0.0384 (10)0.0383 (10)0.0023 (7)0.0046 (7)0.0025 (8)
P10.0282 (9)0.0220 (8)0.0328 (9)0.0004 (7)0.0013 (7)0.0014 (7)
P20.0233 (8)0.0292 (9)0.0322 (9)0.0043 (7)0.0035 (7)0.0071 (7)
O10.033 (3)0.028 (3)0.042 (3)0.003 (2)0.000 (2)0.008 (2)
O20.033 (3)0.024 (2)0.058 (3)0.002 (2)0.011 (2)0.005 (2)
O30.044 (3)0.027 (2)0.028 (2)0.005 (2)0.008 (2)0.005 (2)
O40.025 (2)0.047 (3)0.039 (3)0.003 (2)0.005 (2)0.020 (2)
N10.021 (3)0.026 (3)0.057 (4)0.002 (2)0.004 (3)0.002 (3)
C10.033 (8)0.030 (8)0.079 (13)0.002 (7)0.027 (9)0.009 (8)
C20.048 (9)0.020 (7)0.063 (11)0.004 (7)0.017 (9)0.006 (7)
C30.036 (8)0.042 (9)0.053 (10)0.012 (7)0.010 (7)0.013 (8)
C40.048 (9)0.048 (9)0.035 (8)0.011 (7)0.007 (7)0.008 (7)
C50.022 (7)0.034 (8)0.052 (10)0.000 (6)0.001 (7)0.016 (7)
C60.026 (7)0.036 (9)0.063 (11)0.001 (6)0.006 (7)0.022 (8)
C70.042 (4)0.033 (4)0.055 (5)0.005 (3)0.005 (4)0.018 (4)
C80.048 (5)0.071 (6)0.065 (6)0.008 (5)0.018 (4)0.041 (5)
C90.150 (12)0.034 (5)0.087 (8)0.020 (6)0.027 (8)0.010 (5)
C100.029 (4)0.034 (4)0.066 (5)0.000 (3)0.005 (4)0.006 (4)
C110.052 (6)0.079 (8)0.084 (8)0.003 (5)0.013 (5)0.003 (6)
C120.060 (7)0.054 (6)0.065 (6)0.003 (6)0.022 (5)0.001 (5)
C11'0.04 (3)0.05 (3)0.05 (3)0.001 (10)0.003 (10)0.002 (10)
C12'0.01 (2)0.02 (2)0.02 (2)0.000 (10)0.001 (10)0.000 (10)
C130.093 (7)0.030 (4)0.031 (4)0.016 (4)0.001 (4)0.001 (3)
C140.123 (10)0.057 (7)0.087 (8)0.051 (7)0.036 (7)0.004 (6)
C150.111 (9)0.035 (5)0.058 (6)0.001 (5)0.016 (6)0.000 (4)
C160.042 (4)0.042 (4)0.034 (4)0.008 (3)0.006 (3)0.019 (3)
C170.067 (9)0.051 (8)0.050 (7)0.018 (6)0.017 (6)0.013 (6)
C180.052 (8)0.080 (9)0.071 (9)0.006 (7)0.015 (7)0.027 (7)
C17'0.073 (11)0.067 (11)0.066 (11)0.009 (8)0.001 (8)0.007 (8)
C18'0.064 (10)0.059 (10)0.058 (10)0.002 (8)0.013 (8)0.009 (8)
Geometric parameters (Å, º) top
Zn—S12.327 (2)C9—H9B0.9800
Zn—S22.621 (2)C9—H9C0.9800
Zn—S32.3041 (19)C10—C111.526 (8)
Zn—S42.914 (2)C10—C121.527 (8)
Zn—N12.097 (6)C10—C11'1.540 (10)
S1—P12.013 (3)C10—C12'1.541 (10)
S2—P11.969 (3)C10—H10A1.0000
S3—P22.013 (3)C10—H10B1.0000
S4—P21.962 (2)C11—H11A0.9800
P1—O11.574 (5)C11—H11B0.9800
P1—O21.576 (5)C11—H11C0.9800
P2—O41.581 (5)C12—H12A0.9800
P2—O31.587 (5)C12—H12B0.9800
O1—C71.463 (9)C12—H12C0.9800
O2—C101.470 (9)C11'—H11D0.9800
O3—C131.484 (9)C11'—H11E0.9800
O4—C161.459 (8)C11'—H11F0.9800
N1—C51.420 (8)C12'—H12D0.9800
N1—C6i1.435 (9)C12'—H12E0.9800
N1—C11.452 (9)C12'—H12F0.9800
N1—C2i1.471 (9)C13—C151.483 (13)
N1—C31.503 (9)C13—C141.507 (14)
N1—C4i1.514 (9)C13—H131.0000
C1—C21.517 (9)C14—H14A0.9800
C1—H1A0.9900C14—H14B0.9800
C1—H1B0.9900C14—H14C0.9800
C2—N1i1.471 (9)C15—H15A0.9800
C2—H2A0.9900C15—H15B0.9800
C2—H2B0.9900C15—H15C0.9800
C3—C41.512 (9)C16—C181.513 (8)
C3—H3A0.9900C16—C17'1.536 (9)
C3—H3B0.9900C16—C171.5384
C4—N1i1.514 (9)C16—C18'1.554 (9)
C4—H4A0.9900C16—H16A1.0000
C4—H4B0.9900C16—H16B1.0000
C5—C61.504 (9)C17—H17A0.9800
C5—H5A0.9900C17—H17B0.9800
C5—H5B0.9900C17—H17C0.9800
C6—N1i1.435 (8)C18—H18A0.9800
C6—H6A0.9900C18—H18B0.9800
C6—H6B0.9900C18—H18C0.9800
C7—C91.501 (13)C17'—H17D0.9800
C7—C81.514 (11)C17'—H17E0.9800
C7—H71.0000C17'—H17F0.9800
C8—H8A0.9800C18'—H18D0.9800
C8—H8B0.9800C18'—H18E0.9800
C8—H8C0.9800C18'—H18F0.9800
C9—H9A0.9800
S1—Zn—S282.86 (7)H9B—C9—H9C109.5
S1—Zn—S3129.54 (8)O2—C10—C11107.8 (7)
S1—Zn—S489.34 (7)O2—C10—C12107.1 (7)
S1—Zn—N1116.23 (15)C11—C10—C12111.2 (7)
S2—Zn—S396.14 (7)O2—C10—C11'98 (4)
S2—Zn—S4163.76 (7)C12—C10—C11'88 (3)
S2—Zn—N1100.06 (17)O2—C10—C12'103 (3)
S3—Zn—S477.88 (6)C11—C10—C12'131 (3)
S3—Zn—N1113.60 (15)C11'—C10—C12'109.1 (10)
S4—Zn—N196.16 (17)O2—C10—H10A110.2
P1—S1—Zn85.96 (9)C11—C10—H10A110.2
P1—S2—Zn79.17 (8)C12—C10—H10A110.2
P2—S3—Zn90.93 (8)C11'—C10—H10A138.9
P2—S4—Zn75.68 (8)C12'—C10—H10A93.4
O1—P1—O2100.3 (3)O2—C10—H10B114.9
O1—P1—S2108.3 (2)C11—C10—H10B85.3
O2—P1—S2114.4 (2)C12—C10—H10B127.1
O1—P1—S1111.9 (2)C11'—C10—H10B114.9
O2—P1—S1110.5 (2)C12'—C10—H10B114.9
S2—P1—S1110.98 (11)C10—C11—H11A109.5
O4—P2—O3100.4 (3)C10—C11—H11B109.5
O4—P2—S4113.3 (2)H11A—C11—H11B109.5
O3—P2—S4114.0 (2)C10—C11—H11C109.5
O4—P2—S3110.9 (2)H11A—C11—H11C109.5
O3—P2—S3104.3 (2)H11B—C11—H11C109.5
S4—P2—S3112.94 (11)C10—C12—H12A109.5
C7—O1—P1120.5 (5)C10—C12—H12B109.5
C10—O2—P1121.4 (4)H12A—C12—H12B109.5
C13—O3—P2118.8 (4)C10—C12—H12C109.5
C16—O4—P2124.8 (4)H12A—C12—H12C109.5
C5—N1—C6i134.9 (6)H12B—C12—H12C109.5
C5—N1—C1117.6 (11)C10—C11'—H11D109.5
C6i—N1—C145.7 (10)C10—C11'—H11E109.5
C6i—N1—C2i112.2 (11)H11D—C11'—H11E109.5
C1—N1—C2i136.6 (6)C10—C11'—H11F109.5
C5—N1—C3109.3 (10)H11D—C11'—H11F109.5
C6i—N1—C354.8 (11)H11E—C11'—H11F109.5
C1—N1—C399.8 (11)C10—C12'—H12D109.5
C2i—N1—C366.2 (11)C10—C12'—H12E109.5
C5—N1—C4i56.8 (10)H12D—C12'—H12E109.5
C6i—N1—C4i104.0 (10)C10—C12'—H12F109.5
C1—N1—C4i64.4 (11)H12D—C12'—H12F109.5
C2i—N1—C4i97.6 (11)H12E—C12'—H12F109.5
C3—N1—C4i137.7 (6)C15—C13—O3106.6 (7)
C5—N1—Zn109.6 (5)C15—C13—C14112.4 (8)
C6i—N1—Zn115.5 (6)O3—C13—C14108.7 (9)
C1—N1—Zn109.5 (6)C15—C13—H13109.7
C2i—N1—Zn113.9 (6)O3—C13—H13109.7
C3—N1—Zn110.6 (6)C14—C13—H13109.7
C4i—N1—Zn111.7 (6)C13—C14—H14A109.5
N1—C1—C2108.9 (9)C13—C14—H14B109.5
N1—C1—H1A109.9H14A—C14—H14B109.5
C2—C1—H1A109.9C13—C14—H14C109.5
N1—C1—H1B109.9H14A—C14—H14C109.5
C2—C1—H1B109.9H14B—C14—H14C109.5
H1A—C1—H1B108.3C13—C15—H15A109.5
N1i—C2—C1114.5 (10)C13—C15—H15B109.5
N1i—C2—H2A108.6H15A—C15—H15B109.5
C1—C2—H2A108.6C13—C15—H15C109.5
N1i—C2—H2B108.6H15A—C15—H15C109.5
C1—C2—H2B108.6H15B—C15—H15C109.5
H2A—C2—H2B107.6O4—C16—C18107.6 (8)
N1—C3—C4107.9 (9)O4—C16—C17'105.1 (11)
N1—C3—H3A110.1C18—C16—C17'75.9 (10)
C4—C3—H3A110.1O4—C16—C17110.9 (4)
N1—C3—H3B110.1C18—C16—C17110.7 (6)
C4—C3—H3B110.1O4—C16—C18'103.3 (10)
H3A—C3—H3B108.4C17'—C16—C18'108.3 (8)
C3—C4—N1i114.3 (10)C17—C16—C18'137.9 (9)
C3—C4—H4A108.7O4—C16—H16A109.2
N1i—C4—H4A108.7C18—C16—H16A109.2
C3—C4—H4B108.7C17'—C16—H16A141.3
N1i—C4—H4B108.7C17—C16—H16A109.2
H4A—C4—H4B107.6C18'—C16—H16A80.7
N1—C5—C6109.8 (9)O4—C16—H16B113.0
N1—C5—H5A109.7C18—C16—H16B133.2
C6—C5—H5A109.7C17'—C16—H16B113.4
N1—C5—H5B109.7C17—C16—H16B75.6
C6—C5—H5B109.7C18'—C16—H16B112.9
H5A—C5—H5B108.2C16—C17—H17A109.5
N1i—C6—C5115.2 (9)C16—C17—H17B109.5
N1i—C6—H6A108.5H17A—C17—H17B109.5
C5—C6—H6A108.5C16—C17—H17C109.5
N1i—C6—H6B108.5H17A—C17—H17C109.5
C5—C6—H6B108.5H17B—C17—H17C109.5
H6A—C6—H6B107.5C16—C18—H18A109.5
O1—C7—C9108.2 (7)C16—C18—H18B109.5
O1—C7—C8107.9 (6)H18A—C18—H18B109.5
C9—C7—C8112.7 (8)C16—C18—H18C109.5
O1—C7—H7109.3H18A—C18—H18C109.5
C9—C7—H7109.3H18B—C18—H18C109.5
C8—C7—H7109.3C16—C17'—H17D109.5
C7—C8—H8A109.5C16—C17'—H17E109.5
C7—C8—H8B109.5H17D—C17'—H17E109.5
H8A—C8—H8B109.5C16—C17'—H17F109.5
C7—C8—H8C109.5H17D—C17'—H17F109.5
H8A—C8—H8C109.5H17E—C17'—H17F109.5
H8B—C8—H8C109.5C16—C18'—H18D109.5
C7—C9—H9A109.5C16—C18'—H18E109.5
C7—C9—H9B109.5H18D—C18'—H18E109.5
H9A—C9—H9B109.5C16—C18'—H18F109.5
C7—C9—H9C109.5H18D—C18'—H18F109.5
H9A—C9—H9C109.5H18E—C18'—H18F109.5
N1—Zn—S1—P1104.3 (2)S1—Zn—N1—C147.0 (10)
S3—Zn—S1—P185.52 (12)S2—Zn—N1—C139.9 (10)
S2—Zn—S1—P16.57 (8)S4—Zn—N1—C1139.3 (10)
S4—Zn—S1—P1159.16 (8)S3—Zn—N1—C2i37.5 (10)
N1—Zn—S2—P1122.30 (16)S1—Zn—N1—C2i134.2 (10)
S3—Zn—S2—P1122.36 (9)S2—Zn—N1—C2i138.8 (10)
S1—Zn—S2—P16.82 (8)S4—Zn—N1—C2i41.9 (10)
S4—Zn—S2—P155.1 (3)S3—Zn—N1—C3109.7 (8)
N1—Zn—S3—P281.5 (2)S1—Zn—N1—C362.0 (8)
S1—Zn—S3—P288.91 (12)S2—Zn—N1—C3149.0 (8)
S2—Zn—S3—P2174.71 (8)S4—Zn—N1—C330.3 (8)
S4—Zn—S3—P210.01 (8)S3—Zn—N1—C4i71.9 (8)
N1—Zn—S4—P2102.27 (16)S1—Zn—N1—C4i116.4 (8)
S3—Zn—S4—P210.60 (8)S2—Zn—N1—C4i29.4 (8)
S1—Zn—S4—P2141.41 (9)S4—Zn—N1—C4i151.3 (8)
S2—Zn—S4—P280.4 (2)C5—N1—C1—C252 (2)
Zn—S2—P1—O1114.8 (2)C6i—N1—C1—C274.7 (16)
Zn—S2—P1—O2134.3 (2)C2i—N1—C1—C20 (3)
Zn—S2—P1—S18.39 (10)C3—N1—C1—C265.6 (17)
Zn—S1—P1—O1111.8 (2)C4i—N1—C1—C273.0 (15)
Zn—S1—P1—O2137.3 (2)Zn—N1—C1—C2178.3 (13)
Zn—S1—P1—S29.31 (11)N1—C1—C2—N1i0 (2)
Zn—S4—P2—O4140.0 (2)C5—N1—C3—C457.1 (15)
Zn—S4—P2—O3106.0 (2)C6i—N1—C3—C474.9 (13)
Zn—S4—P2—S312.92 (10)C1—N1—C3—C466.9 (14)
Zn—S3—P2—O4144.3 (2)C2i—N1—C3—C469.9 (12)
Zn—S3—P2—O3108.5 (2)C4i—N1—C3—C44 (2)
Zn—S3—P2—S415.90 (12)Zn—N1—C3—C4177.7 (10)
O2—P1—O1—C761.7 (6)N1—C3—C4—N1i3.3 (18)
S2—P1—O1—C7178.1 (5)C6i—N1—C5—C61 (3)
S1—P1—O1—C755.5 (5)C1—N1—C5—C652.3 (19)
O1—P1—O2—C10175.1 (5)C2i—N1—C5—C677.3 (15)
S2—P1—O2—C1069.3 (6)C3—N1—C5—C660.5 (17)
S1—P1—O2—C1056.9 (6)C4i—N1—C5—C674.5 (14)
O4—P2—O3—C1366.5 (6)Zn—N1—C5—C6178.2 (12)
S4—P2—O3—C1354.9 (6)N1—C5—C6—N1i1 (2)
S3—P2—O3—C13178.6 (5)P1—O1—C7—C9116.0 (8)
O3—P2—O4—C16158.1 (5)P1—O1—C7—C8121.9 (7)
S4—P2—O4—C1636.1 (6)P1—O2—C10—C11118.6 (9)
S3—P2—O4—C1692.0 (5)P1—O2—C10—C12121.6 (9)
S3—Zn—N1—C510.8 (9)P1—O2—C10—C11'148 (4)
S1—Zn—N1—C5177.5 (8)P1—O2—C10—C12'100 (3)
S2—Zn—N1—C590.5 (9)P2—O3—C13—C15134.3 (6)
S4—Zn—N1—C590.2 (9)P2—O3—C13—C14104.3 (7)
S3—Zn—N1—C6i169.5 (10)P2—O4—C16—C18171.4 (9)
S1—Zn—N1—C6i2.3 (10)P2—O4—C16—C17'108.9 (10)
S2—Zn—N1—C6i89.2 (10)P2—O4—C16—C1767.5 (5)
S4—Zn—N1—C6i90.1 (10)P2—O4—C16—C18'137.5 (10)
S3—Zn—N1—C1141.2 (10)
Symmetry code: (i) x+1, y+1, z+1.
 

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