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The pyrimidine-2-mercaptan ligand in the title copper(I) chloride adduct, [CuCl(C4H4N2S)(C18H15P)2], coordinates to the metal atom through the doubly bonded S atom, the ligand being in the thione form. The coordination geometry of the Cu atom is tetrahedral.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804011262/bt6455sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804011262/bt6455Isup2.hkl
Contains datablock I

CCDC reference: 242041

Key indicators

  • Single-crystal X-ray study
  • T = 298 K
  • Mean [sigma](C-C) = 0.004 Å
  • R factor = 0.043
  • wR factor = 0.113
  • Data-to-parameter ratio = 18.8

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Cu1 - P1 .. 10.17 su
Alert level C ABSTM02_ALERT_3_C The ratio of expected to reported Tmax/Tmin(RR') is < 0.90 Tmin and Tmax reported: 0.688 0.896 Tmin' and Tmax expected: 0.837 0.893 RR' = 0.820 Please check that your absorption correction is appropriate. PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large ............. 0.82 PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.67 PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.84 Ratio PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Cu1 - Cl1 .. 8.44 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Cu1 - S1 .. 6.67 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Cu1 - P2 .. 7.98 su
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 8 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 6 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 0 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.

Chloro[pyrimidine-2(1H)-thione-κS]bis(triphenylphosphine-κP)copper(I) top
Crystal data top
[CuCl(C4H4N2S)(C18H15P)2]F(000) = 1520
Mr = 735.68Dx = 1.370 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 4756 reflections
a = 14.4631 (8) Åθ = 2.3–24.3°
b = 10.1438 (6) ŵ = 0.87 mm1
c = 24.393 (1) ÅT = 298 K
β = 94.564 (1)°Block, orange
V = 3567.4 (3) Å30.20 × 0.19 × 0.13 mm
Z = 4
Data collection top
Bruker SMART APEX area-detector
diffractometer
8258 independent reflections
Radiation source: fine-focus sealed tube6403 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.029
φ and ω scansθmax = 28.0°, θmin = 1.4°
Absorption correction: multi-scan
(SADABS; Bruker, 2002)
h = 1818
Tmin = 0.688, Tmax = 0.896k = 612
21086 measured reflectionsl = 3232
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)] = 0.043Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.113H atoms treated by a mixture of independent and constrained refinement
S = 1.01 w = 1/[σ2(Fo2) + (0.0603P)2 + 0.562P]
where P = (Fo2 + 2Fc2)/3
8067 reflections(Δ/σ)max = 0.001
428 parametersΔρmax = 0.64 e Å3
1 restraintΔρmin = 0.24 e Å3
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Cu10.765272 (19)0.30294 (3)0.357414 (11)0.03296 (10)
Cl10.73639 (4)0.53035 (6)0.34275 (3)0.04376 (16)
S10.91626 (5)0.27789 (7)0.40336 (3)0.04951 (18)
P10.67187 (4)0.21568 (6)0.41970 (2)0.03052 (14)
P20.75837 (4)0.23536 (6)0.26727 (2)0.02805 (13)
N10.93615 (16)0.5365 (2)0.39312 (10)0.0522 (6)
H10.8811 (10)0.531 (3)0.3775 (11)0.066 (9)*
N21.05699 (16)0.4258 (3)0.44241 (11)0.0648 (7)
C10.66271 (16)0.3125 (2)0.48259 (9)0.0346 (5)
C20.6539 (2)0.2576 (3)0.53358 (10)0.0552 (8)
H20.66180.16720.53840.066*
C30.6336 (3)0.3354 (3)0.57774 (11)0.0693 (10)
H30.62680.29710.61180.083*
C40.6235 (2)0.4684 (3)0.57107 (12)0.0669 (9)
H40.61020.52080.60070.080*
C50.6330 (3)0.5245 (3)0.52107 (13)0.0706 (10)
H50.62610.61510.51660.085*
C60.6529 (2)0.4462 (3)0.47691 (11)0.0523 (7)
H60.65970.48510.44290.063*
C70.71371 (18)0.0538 (2)0.44406 (9)0.0371 (5)
C80.7984 (2)0.0449 (3)0.47509 (11)0.0485 (6)
H80.82970.12150.48640.058*
C90.8365 (2)0.0768 (3)0.48930 (13)0.0635 (9)
H90.89260.08150.51070.076*
C100.7919 (3)0.1906 (3)0.47196 (14)0.0717 (10)
H100.81790.27220.48130.086*
C110.7092 (3)0.1834 (3)0.44082 (13)0.0680 (10)
H110.67910.26050.42890.082*
C120.6697 (2)0.0624 (3)0.42681 (11)0.0519 (7)
H120.61340.05900.40570.062*
C130.54825 (16)0.1913 (2)0.40016 (9)0.0329 (5)
C140.51130 (17)0.2385 (2)0.35011 (10)0.0392 (5)
H140.55010.27770.32620.047*
C150.41714 (19)0.2283 (3)0.33484 (11)0.0502 (7)
H150.39340.26070.30090.060*
C160.35886 (19)0.1705 (3)0.36966 (12)0.0520 (7)
H160.29580.16260.35920.062*
C170.39438 (19)0.1243 (3)0.42021 (12)0.0556 (7)
H170.35520.08590.44410.067*
C180.48787 (19)0.1350 (3)0.43536 (11)0.0496 (7)
H180.51110.10430.46960.059*
C190.82699 (15)0.3366 (2)0.22323 (9)0.0323 (5)
C200.91105 (17)0.3846 (3)0.24521 (11)0.0510 (7)
H200.93250.36220.28100.061*
C210.9641 (2)0.4661 (4)0.21437 (14)0.0699 (9)
H211.02060.49790.22980.084*
C220.9347 (2)0.5001 (3)0.16198 (13)0.0594 (8)
H220.97060.55460.14160.071*
C230.8515 (2)0.4531 (3)0.13972 (12)0.0560 (7)
H230.83070.47590.10390.067*
C240.79785 (18)0.3720 (3)0.16994 (10)0.0477 (6)
H240.74140.34080.15420.057*
C250.79159 (15)0.0659 (2)0.25369 (9)0.0322 (5)
C260.81515 (18)0.0208 (3)0.20278 (10)0.0439 (6)
H260.81970.08020.17410.053*
C270.8319 (2)0.1118 (3)0.19457 (13)0.0586 (8)
H270.84870.14090.16060.070*
C280.8237 (2)0.2004 (3)0.23658 (14)0.0595 (8)
H280.83380.28970.23080.071*
C290.80055 (19)0.1574 (3)0.28691 (13)0.0547 (7)
H290.79490.21760.31520.066*
C300.78565 (17)0.0248 (2)0.29578 (11)0.0432 (6)
H300.77150.00390.33030.052*
C310.64186 (15)0.2429 (2)0.23246 (8)0.0285 (4)
C320.59041 (15)0.1300 (2)0.21897 (9)0.0349 (5)
H320.61740.04750.22490.042*
C330.49969 (17)0.1389 (3)0.19681 (10)0.0424 (6)
H330.46590.06250.18850.051*
C340.45917 (17)0.2601 (3)0.18702 (10)0.0438 (6)
H340.39820.26590.17190.053*
C350.50959 (17)0.3737 (3)0.19986 (10)0.0422 (6)
H350.48250.45590.19300.051*
C360.59985 (16)0.3654 (2)0.22283 (9)0.0353 (5)
H360.63290.44210.23190.042*
C370.97278 (17)0.4214 (3)0.41361 (10)0.0444 (6)
C380.9803 (2)0.6526 (4)0.39901 (15)0.0735 (10)
H380.95290.72870.38400.088*
C391.0638 (3)0.6581 (4)0.42666 (16)0.0810 (11)
H391.09680.73660.43090.097*
C401.0985 (2)0.5410 (4)0.44857 (14)0.0772 (11)
H401.15530.54370.46920.093*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cu10.03839 (17)0.02878 (16)0.03160 (16)0.00209 (12)0.00215 (12)0.00000 (11)
Cl10.0440 (3)0.0282 (3)0.0580 (4)0.0033 (3)0.0026 (3)0.0057 (3)
S10.0399 (4)0.0430 (4)0.0635 (4)0.0025 (3)0.0090 (3)0.0045 (3)
P10.0407 (3)0.0248 (3)0.0262 (3)0.0018 (2)0.0034 (2)0.0006 (2)
P20.0290 (3)0.0271 (3)0.0281 (3)0.0011 (2)0.0028 (2)0.0018 (2)
N10.0414 (13)0.0492 (15)0.0640 (15)0.0079 (11)0.0076 (11)0.0008 (12)
N20.0404 (13)0.083 (2)0.0682 (17)0.0116 (13)0.0145 (12)0.0069 (14)
C10.0415 (13)0.0316 (13)0.0306 (11)0.0011 (10)0.0031 (10)0.0059 (9)
C20.089 (2)0.0435 (16)0.0333 (13)0.0191 (15)0.0070 (14)0.0001 (12)
C30.108 (3)0.070 (2)0.0300 (14)0.029 (2)0.0086 (15)0.0033 (14)
C40.093 (2)0.060 (2)0.0495 (18)0.0112 (18)0.0144 (16)0.0225 (15)
C50.114 (3)0.0345 (16)0.066 (2)0.0051 (17)0.0256 (19)0.0149 (15)
C60.082 (2)0.0318 (14)0.0449 (15)0.0011 (13)0.0190 (14)0.0015 (11)
C70.0574 (15)0.0285 (12)0.0263 (11)0.0029 (11)0.0098 (10)0.0021 (9)
C80.0574 (17)0.0445 (16)0.0437 (15)0.0082 (13)0.0044 (12)0.0017 (12)
C90.072 (2)0.064 (2)0.0559 (18)0.0273 (17)0.0102 (15)0.0114 (15)
C100.116 (3)0.0450 (19)0.0561 (19)0.0327 (19)0.017 (2)0.0129 (15)
C110.123 (3)0.0283 (15)0.0537 (18)0.0039 (17)0.0132 (19)0.0002 (13)
C120.086 (2)0.0300 (14)0.0391 (14)0.0024 (13)0.0030 (14)0.0004 (11)
C130.0413 (13)0.0270 (12)0.0309 (11)0.0043 (9)0.0059 (10)0.0039 (9)
C140.0463 (14)0.0381 (14)0.0342 (12)0.0019 (11)0.0106 (10)0.0013 (10)
C150.0502 (16)0.0567 (18)0.0431 (15)0.0090 (13)0.0005 (12)0.0014 (13)
C160.0399 (14)0.0495 (17)0.0664 (19)0.0031 (12)0.0025 (13)0.0085 (14)
C170.0484 (16)0.0539 (18)0.0658 (19)0.0147 (14)0.0131 (14)0.0087 (15)
C180.0555 (16)0.0521 (17)0.0413 (14)0.0121 (13)0.0060 (12)0.0131 (12)
C190.0325 (11)0.0290 (12)0.0365 (12)0.0012 (9)0.0100 (9)0.0023 (9)
C200.0348 (13)0.0652 (19)0.0525 (16)0.0092 (13)0.0001 (12)0.0110 (14)
C210.0348 (15)0.087 (2)0.088 (2)0.0207 (16)0.0071 (15)0.014 (2)
C220.0539 (18)0.0523 (18)0.076 (2)0.0052 (14)0.0282 (16)0.0202 (15)
C230.0592 (18)0.0633 (19)0.0475 (16)0.0013 (15)0.0170 (13)0.0199 (14)
C240.0459 (15)0.0584 (18)0.0391 (14)0.0119 (13)0.0045 (11)0.0066 (12)
C250.0286 (11)0.0304 (12)0.0375 (12)0.0002 (9)0.0020 (9)0.0009 (9)
C260.0511 (15)0.0412 (15)0.0399 (14)0.0026 (12)0.0073 (11)0.0036 (11)
C270.0652 (19)0.0503 (18)0.0609 (18)0.0067 (15)0.0081 (15)0.0195 (15)
C280.0587 (18)0.0334 (15)0.086 (2)0.0063 (13)0.0009 (16)0.0097 (15)
C290.0548 (17)0.0338 (15)0.076 (2)0.0037 (12)0.0079 (15)0.0125 (14)
C300.0459 (14)0.0359 (14)0.0490 (15)0.0054 (11)0.0112 (12)0.0072 (11)
C310.0309 (11)0.0312 (12)0.0238 (10)0.0015 (9)0.0051 (8)0.0016 (9)
C320.0335 (12)0.0316 (12)0.0399 (13)0.0024 (10)0.0037 (10)0.0042 (10)
C330.0370 (13)0.0449 (15)0.0450 (14)0.0095 (11)0.0006 (11)0.0041 (12)
C340.0325 (12)0.0553 (17)0.0429 (14)0.0010 (12)0.0015 (10)0.0092 (12)
C350.0434 (14)0.0417 (15)0.0409 (13)0.0113 (12)0.0002 (11)0.0049 (11)
C360.0408 (13)0.0309 (12)0.0338 (12)0.0008 (10)0.0008 (10)0.0016 (10)
C370.0352 (13)0.0578 (17)0.0398 (14)0.0012 (12)0.0010 (11)0.0007 (12)
C380.073 (2)0.054 (2)0.091 (3)0.0200 (17)0.0052 (19)0.0030 (18)
C390.072 (2)0.080 (3)0.088 (3)0.039 (2)0.008 (2)0.004 (2)
C400.0476 (18)0.113 (3)0.068 (2)0.025 (2)0.0115 (16)0.000 (2)
Geometric parameters (Å, º) top
Cu1—P12.2899 (6)C16—C171.379 (4)
Cu1—P22.2978 (6)C16—H160.9300
Cu1—S12.3875 (7)C17—C181.377 (4)
Cu1—Cl12.3664 (7)C17—H170.9300
S1—C371.679 (3)C18—H180.9300
P1—C131.830 (2)C19—C201.378 (3)
P1—C71.833 (2)C19—C241.382 (3)
P1—C11.835 (2)C20—C211.389 (4)
P2—C251.823 (2)C20—H200.9300
P2—C311.827 (2)C21—C221.359 (4)
P2—C191.834 (2)C21—H210.9300
N1—C381.341 (4)C22—C231.366 (4)
N1—C371.360 (3)C22—H220.9300
N1—H10.856 (10)C23—C241.383 (4)
N2—C401.317 (4)C23—H230.9300
N2—C371.357 (3)C24—H240.9300
C1—C61.370 (3)C25—C301.386 (3)
C1—C21.378 (3)C25—C261.391 (3)
C2—C31.386 (4)C26—C271.384 (4)
C2—H20.9300C26—H260.9300
C3—C41.365 (4)C27—C281.376 (4)
C3—H30.9300C27—H270.9300
C4—C51.363 (4)C28—C291.370 (4)
C4—H40.9300C28—H280.9300
C5—C61.387 (4)C29—C301.382 (4)
C5—H50.9300C29—H290.9300
C6—H60.9300C30—H300.9300
C7—C81.390 (4)C31—C321.390 (3)
C7—C121.389 (3)C31—C361.395 (3)
C8—C91.385 (4)C32—C331.382 (3)
C8—H80.9300C32—H320.9300
C9—C101.372 (5)C33—C341.375 (4)
C9—H90.9300C33—H330.9300
C10—C111.367 (5)C34—C351.386 (4)
C10—H100.9300C34—H340.9300
C11—C121.385 (4)C35—C361.382 (3)
C11—H110.9300C35—H350.9300
C12—H120.9300C36—H360.9300
C13—C141.379 (3)C38—C391.337 (5)
C13—C181.394 (3)C38—H380.9300
C14—C151.387 (4)C39—C401.380 (5)
C14—H140.9300C39—H390.9300
C15—C161.375 (4)C40—H400.9300
C15—H150.9300
P1—Cu1—P2122.45 (2)C18—C17—H17120.0
P1—Cu1—S1102.31 (3)C16—C17—H17120.0
P1—Cu1—Cl1111.76 (2)C17—C18—C13121.1 (2)
P2—Cu1—S1112.70 (3)C17—C18—H18119.4
P2—Cu1—Cl198.77 (2)C13—C18—H18119.4
Cl1—Cu1—S1108.58 (3)C20—C19—C24117.9 (2)
C37—S1—Cu1113.20 (9)C20—C19—P2118.14 (18)
C13—P1—C7104.70 (11)C24—C19—P2123.90 (18)
C13—P1—C198.99 (10)C19—C20—C21120.5 (3)
C7—P1—C1104.61 (11)C19—C20—H20119.8
C13—P1—Cu1119.68 (8)C21—C20—H20119.8
C7—P1—Cu1111.37 (8)C22—C21—C20121.0 (3)
C1—P1—Cu1115.69 (8)C22—C21—H21119.5
C25—P2—C31101.63 (10)C20—C21—H21119.5
C25—P2—C19105.01 (10)C21—C22—C23119.0 (3)
C31—P2—C19103.09 (10)C21—C22—H22120.5
C25—P2—Cu1117.60 (7)C23—C22—H22120.5
C31—P2—Cu1113.61 (7)C22—C23—C24120.6 (3)
C19—P2—Cu1114.15 (8)C22—C23—H23119.7
C38—N1—C37123.1 (3)C24—C23—H23119.7
C38—N1—H1121 (2)C19—C24—C23120.9 (2)
C37—N1—H1116 (2)C19—C24—H24119.5
C40—N2—C37118.0 (3)C23—C24—H24119.5
C6—C1—C2118.4 (2)C30—C25—C26118.5 (2)
C6—C1—P1117.32 (19)C30—C25—P2117.29 (18)
C2—C1—P1123.83 (19)C26—C25—P2123.99 (18)
C1—C2—C3120.8 (3)C27—C26—C25120.4 (3)
C1—C2—H2119.6C27—C26—H26119.8
C3—C2—H2119.6C25—C26—H26119.8
C4—C3—C2119.8 (3)C28—C27—C26120.1 (3)
C4—C3—H3120.1C28—C27—H27120.0
C2—C3—H3120.1C26—C27—H27120.0
C5—C4—C3120.2 (3)C29—C28—C27120.1 (3)
C5—C4—H4119.9C29—C28—H28120.0
C3—C4—H4119.9C27—C28—H28120.0
C4—C5—C6119.8 (3)C28—C29—C30120.2 (3)
C4—C5—H5120.1C28—C29—H29119.9
C6—C5—H5120.1C30—C29—H29119.9
C1—C6—C5121.0 (3)C29—C30—C25120.7 (3)
C1—C6—H6119.5C29—C30—H30119.7
C5—C6—H6119.5C25—C30—H30119.7
C8—C7—C12118.2 (2)C32—C31—C36118.4 (2)
C8—C7—P1119.24 (19)C32—C31—P2122.16 (17)
C12—C7—P1122.1 (2)C36—C31—P2119.24 (17)
C9—C8—C7120.6 (3)C33—C32—C31120.9 (2)
C9—C8—H8119.7C33—C32—H32119.6
C7—C8—H8119.7C31—C32—H32119.6
C10—C9—C8120.3 (3)C34—C33—C32120.3 (2)
C10—C9—H9119.8C34—C33—H33119.8
C8—C9—H9119.8C32—C33—H33119.8
C11—C10—C9119.7 (3)C33—C34—C35119.7 (2)
C11—C10—H10120.1C33—C34—H34120.2
C9—C10—H10120.1C35—C34—H34120.2
C10—C11—C12120.6 (3)C36—C35—C34120.3 (2)
C10—C11—H11119.7C36—C35—H35119.9
C12—C11—H11119.7C34—C35—H35119.9
C11—C12—C7120.5 (3)C35—C36—C31120.5 (2)
C11—C12—H12119.7C35—C36—H36119.8
C7—C12—H12119.7C31—C36—H36119.8
C14—C13—C18118.0 (2)N1—C37—N2118.0 (2)
C14—C13—P1119.03 (17)N1—C37—S1121.25 (19)
C18—C13—P1122.80 (19)N2—C37—S1120.8 (2)
C13—C14—C15121.0 (2)C39—C38—N1119.6 (3)
C13—C14—H14119.5C39—C38—H38120.2
C15—C14—H14119.5N1—C38—H38120.2
C16—C15—C14120.2 (3)C38—C39—C40116.4 (3)
C16—C15—H15119.9C38—C39—H39121.8
C14—C15—H15119.9C40—C39—H39121.8
C15—C16—C17119.6 (3)N2—C40—C39124.8 (3)
C15—C16—H16120.2N2—C40—H40117.6
C17—C16—H16120.2C39—C40—H40117.6
C18—C17—C16120.1 (3)
P1—Cu1—S1—C37120.70 (10)C14—C15—C16—C170.9 (4)
P2—Cu1—S1—C37105.93 (10)C15—C16—C17—C180.6 (5)
Cl1—Cu1—S1—C372.43 (10)C16—C17—C18—C130.5 (5)
P2—Cu1—P1—C1344.54 (9)C14—C13—C18—C171.4 (4)
Cl1—Cu1—P1—C1372.10 (9)P1—C13—C18—C17176.7 (2)
S1—Cu1—P1—C13171.91 (8)C25—P2—C19—C2093.0 (2)
P2—Cu1—P1—C777.92 (9)C31—P2—C19—C20161.0 (2)
Cl1—Cu1—P1—C7165.44 (8)Cu1—P2—C19—C2037.3 (2)
S1—Cu1—P1—C749.45 (9)C25—P2—C19—C2489.6 (2)
P2—Cu1—P1—C1162.82 (9)C31—P2—C19—C2416.4 (2)
Cl1—Cu1—P1—C146.18 (9)Cu1—P2—C19—C24140.2 (2)
S1—Cu1—P1—C169.81 (9)C24—C19—C20—C210.2 (4)
P1—Cu1—P2—C2565.11 (9)P2—C19—C20—C21177.4 (2)
Cl1—Cu1—P2—C25172.02 (8)C19—C20—C21—C220.2 (5)
S1—Cu1—P2—C2557.57 (9)C20—C21—C22—C230.2 (5)
P1—Cu1—P2—C3153.36 (8)C21—C22—C23—C240.1 (5)
Cl1—Cu1—P2—C3169.50 (8)C20—C19—C24—C230.1 (4)
S1—Cu1—P2—C31176.04 (8)P2—C19—C24—C23177.3 (2)
P1—Cu1—P2—C19171.20 (8)C22—C23—C24—C190.0 (5)
Cl1—Cu1—P2—C1948.33 (8)C31—P2—C25—C30101.28 (19)
S1—Cu1—P2—C1966.12 (8)C19—P2—C25—C30151.59 (18)
C13—P1—C1—C686.4 (2)Cu1—P2—C25—C3023.4 (2)
C7—P1—C1—C6165.7 (2)C31—P2—C25—C2673.4 (2)
Cu1—P1—C1—C642.8 (2)C19—P2—C25—C2633.7 (2)
C13—P1—C1—C285.5 (2)Cu1—P2—C25—C26161.88 (18)
C7—P1—C1—C222.4 (3)C30—C25—C26—C270.2 (4)
Cu1—P1—C1—C2145.3 (2)P2—C25—C26—C27174.5 (2)
C6—C1—C2—C31.5 (5)C25—C26—C27—C281.2 (4)
P1—C1—C2—C3170.3 (3)C26—C27—C28—C291.2 (5)
C1—C2—C3—C41.1 (5)C27—C28—C29—C300.2 (5)
C2—C3—C4—C50.3 (6)C28—C29—C30—C251.6 (4)
C3—C4—C5—C60.0 (6)C26—C25—C30—C291.6 (4)
C2—C1—C6—C51.2 (5)P2—C25—C30—C29173.4 (2)
P1—C1—C6—C5171.2 (3)C25—P2—C31—C3219.2 (2)
C4—C5—C6—C10.5 (5)C19—P2—C31—C32127.86 (18)
C13—P1—C7—C8163.41 (19)Cu1—P2—C31—C32108.07 (17)
C1—P1—C7—C859.8 (2)C25—P2—C31—C36165.89 (17)
Cu1—P1—C7—C865.9 (2)C19—P2—C31—C3657.27 (19)
C13—P1—C7—C1225.0 (2)Cu1—P2—C31—C3666.79 (18)
C1—P1—C7—C12128.6 (2)C36—C31—C32—C330.3 (3)
Cu1—P1—C7—C12105.7 (2)P2—C31—C32—C33174.58 (18)
C12—C7—C8—C91.4 (4)C31—C32—C33—C340.9 (4)
P1—C7—C8—C9173.3 (2)C32—C33—C34—C350.5 (4)
C7—C8—C9—C101.3 (4)C33—C34—C35—C360.6 (4)
C8—C9—C10—C110.4 (5)C34—C35—C36—C311.1 (4)
C9—C10—C11—C120.3 (5)C32—C31—C36—C350.7 (3)
C10—C11—C12—C70.1 (5)P2—C31—C36—C35175.74 (18)
C8—C7—C12—C110.7 (4)C38—N1—C37—N21.6 (4)
P1—C7—C12—C11172.3 (2)C38—N1—C37—S1178.0 (3)
C7—P1—C13—C14132.36 (19)C40—N2—C37—N10.4 (4)
C1—P1—C13—C14119.85 (19)C40—N2—C37—S1179.2 (2)
Cu1—P1—C13—C146.7 (2)Cu1—S1—C37—N14.8 (3)
C7—P1—C13—C1852.3 (2)Cu1—S1—C37—N2175.6 (2)
C1—P1—C13—C1855.4 (2)C37—N1—C38—C390.7 (5)
Cu1—P1—C13—C18178.02 (18)N1—C38—C39—C401.2 (6)
C18—C13—C14—C151.1 (4)C37—N2—C40—C391.8 (5)
P1—C13—C14—C15176.6 (2)C38—C39—C40—N22.6 (6)
C13—C14—C15—C160.0 (4)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N1—H1···Cl10.86 (1)2.20 (1)3.049 (2)175 (3)
 

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