Buy article online - an online subscription or single-article purchase is required to access this article.
The Cu atom in [Cu(C
7H
4NOS)(C
7H
5NOS)(C
18H
15P)
2] is tetrahedrally coordinated by a P
2S
2 donor set. One S atom is derived from neutral benzoxazole-2-thione and the other from the deprotonated form of the ligand. The two sulfur ligands are connected
via an N-H
N interaction, leading to the formation of an eight-membered ring.
Supporting information
CCDC reference: 153876
Data collection: MSC/AFC Diffractometer Control Software (Molecular Structure Corporation, 1995); cell refinement: MSC/AFC Diffractometer Control Software; data reduction: TEXSAN for Windows (Molecular Structure Corporation, 1997); program(s) used to solve structure: SIR92 (Altomare et al., 1993); program(s) used to refine structure: TEXSAN for Windows; software used to prepare material for publication: TEXSAN for Windows.
Crystal data top
[Cu(C7H4NOS)(C7H5NOS)(C18H15P)2] | Z = 2 |
Mr = 889.48 | F(000) = 920 |
Triclinic, P1 | Dx = 1.367 Mg m−3 |
a = 12.499 (2) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 13.173 (2) Å | Cell parameters from 25 reflections |
c = 14.615 (3) Å | θ = 11.0–12.4° |
α = 85.16 (2)° | µ = 0.72 mm−1 |
β = 79.05 (2)° | T = 293 K |
γ = 66.15 (2)° | Prismatic, colourless |
V = 2160.6 (8) Å3 | 0.35 × 0.30 × 0.10 mm |
Data collection top
Rigaku AFC7R diffractometer | Rint = 0.018 |
Radiation source: X-ray tube | θmax = 30.0°, θmin = 2.6° |
Graphite monochromator | h = −17→17 |
ω–2θ scans | k = −18→18 |
13070 measured reflections | l = 0→20 |
12612 independent reflections | 3 standard reflections every 150 reflections |
7586 reflections with I > 3.00σ(I) | intensity decay: 0.04% |
Refinement top
Refinement on F | 0 restraints |
Least-squares matrix: full | 0 constraints |
R[F2 > 2σ(F2)] = 0.038 | H-atom parameters not refined |
wR(F2) = 0.026 | Weighting scheme based on measured s.u.'s w = 1/[σ2(Fo) + 0.002|Fo|2] |
S = 1.99 | (Δ/σ)max < 0.001 |
7586 reflections | Δρmax = 0.28 e Å−3 |
532 parameters | Δρmin = −0.40 e Å−3 |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
Cu | 0.21512 (2) | −0.31592 (2) | −0.26695 (2) | 0.03983 (7) | |
S(1) | 0.08456 (4) | −0.25670 (4) | −0.12293 (3) | 0.0471 (2) | |
S(2) | 0.39080 (4) | −0.48450 (4) | −0.24330 (4) | 0.0519 (2) | |
P(1) | 0.26696 (4) | −0.17107 (4) | −0.32523 (3) | 0.0374 (1) | |
P(2) | 0.12159 (4) | −0.39051 (4) | −0.34584 (3) | 0.0354 (1) | |
O(1) | 0.1289 (1) | −0.1111 (1) | −0.03739 (8) | 0.0436 (4) | |
O(2) | 0.3420 (1) | −0.6413 (1) | −0.13992 (9) | 0.0490 (4) | |
N(1) | 0.2500 (1) | −0.2877 (1) | −0.0149 (1) | 0.0452 (5) | |
N(2) | 0.3181 (1) | −0.4995 (1) | −0.0582 (1) | 0.0492 (5) | |
C(1) | 0.1618 (2) | −0.2221 (2) | −0.0558 (1) | 0.0396 (5) | |
C(2) | 0.2058 (2) | −0.1109 (2) | 0.0191 (1) | 0.0410 (6) | |
C(3) | 0.2103 (2) | −0.0207 (2) | 0.0573 (1) | 0.0539 (7) | |
C(4) | 0.2956 (2) | −0.0458 (2) | 0.1132 (2) | 0.0628 (8) | |
C(5) | 0.3715 (2) | −0.1542 (2) | 0.1294 (2) | 0.0665 (8) | |
C(6) | 0.3648 (2) | −0.2435 (2) | 0.0911 (2) | 0.0607 (7) | |
C(7) | 0.2800 (2) | −0.2194 (2) | 0.0342 (1) | 0.0430 (6) | |
C(8) | 0.3480 (2) | −0.5396 (1) | −0.1431 (1) | 0.0399 (5) | |
C(9) | 0.2868 (2) | −0.5726 (2) | 0.0036 (1) | 0.0476 (6) | |
C(10) | 0.2450 (2) | −0.5680 (2) | 0.0987 (2) | 0.0741 (8) | |
C(11) | 0.2174 (2) | −0.6561 (2) | 0.1369 (2) | 0.0823 (9) | |
C(12) | 0.2303 (2) | −0.7420 (2) | 0.0833 (2) | 0.0788 (9) | |
C(13) | 0.2742 (2) | −0.7480 (2) | −0.0105 (2) | 0.0676 (8) | |
C(14) | 0.3010 (2) | −0.6606 (2) | −0.0475 (1) | 0.0481 (6) | |
C(15) | 0.3423 (2) | −0.1259 (2) | −0.2519 (1) | 0.0416 (6) | |
C(16) | 0.4161 (2) | −0.2036 (2) | −0.1975 (1) | 0.0511 (6) | |
C(17) | 0.4763 (2) | −0.1724 (2) | −0.1422 (2) | 0.0678 (8) | |
C(18) | 0.4634 (2) | −0.0645 (2) | −0.1415 (2) | 0.0735 (9) | |
C(19) | 0.3919 (2) | 0.0137 (2) | −0.1955 (2) | 0.0734 (9) | |
C(20) | 0.3296 (2) | −0.0158 (2) | −0.2506 (1) | 0.0587 (7) | |
C(21) | 0.1364 (2) | −0.0443 (1) | −0.3373 (1) | 0.0374 (5) | |
C(22) | 0.0541 (2) | −0.0001 (2) | −0.2581 (1) | 0.0491 (6) | |
C(23) | −0.0501 (2) | 0.0914 (2) | −0.2640 (1) | 0.0541 (7) | |
C(24) | −0.0737 (2) | 0.1397 (2) | −0.3491 (2) | 0.0581 (7) | |
C(25) | 0.0076 (2) | 0.0976 (2) | −0.4273 (1) | 0.0668 (8) | |
C(26) | 0.1128 (2) | 0.0064 (2) | −0.4223 (1) | 0.0549 (6) | |
C(27) | 0.3616 (2) | −0.1858 (1) | −0.4396 (1) | 0.0409 (5) | |
C(28) | 0.4514 (2) | −0.1466 (2) | −0.4610 (1) | 0.0581 (7) | |
C(29) | 0.5218 (2) | −0.1635 (2) | −0.5487 (2) | 0.0701 (9) | |
C(30) | 0.5029 (2) | −0.2193 (2) | −0.6161 (1) | 0.0668 (8) | |
C(31) | 0.4142 (2) | −0.2575 (2) | −0.5964 (1) | 0.0629 (8) | |
C(32) | 0.3439 (2) | −0.2415 (2) | −0.5088 (1) | 0.0516 (7) | |
C(33) | −0.0308 (1) | −0.2979 (1) | −0.3563 (1) | 0.0356 (5) | |
C(34) | −0.0707 (2) | −0.1875 (2) | −0.3315 (1) | 0.0422 (6) | |
C(35) | −0.1852 (2) | −0.1137 (2) | −0.3390 (1) | 0.0525 (6) | |
C(36) | −0.2608 (2) | −0.1492 (2) | −0.3712 (1) | 0.0603 (7) | |
C(37) | −0.2224 (2) | −0.2594 (2) | −0.3956 (1) | 0.0579 (7) | |
C(38) | −0.1085 (2) | −0.3334 (2) | −0.3879 (1) | 0.0450 (6) | |
C(39) | 0.1065 (2) | −0.5163 (1) | −0.2928 (1) | 0.0408 (5) | |
C(40) | 0.0731 (2) | −0.5195 (2) | −0.1972 (1) | 0.0510 (6) | |
C(41) | 0.0572 (2) | −0.6122 (2) | −0.1545 (2) | 0.0658 (8) | |
C(42) | 0.0763 (2) | −0.7020 (2) | −0.2059 (2) | 0.0739 (9) | |
C(43) | 0.1108 (2) | −0.7004 (2) | −0.3004 (2) | 0.0718 (9) | |
C(44) | 0.1259 (2) | −0.6087 (2) | −0.3443 (1) | 0.0557 (7) | |
C(45) | 0.1948 (2) | −0.4345 (1) | −0.4652 (1) | 0.0373 (5) | |
C(46) | 0.3154 (2) | −0.5032 (2) | −0.4787 (1) | 0.0514 (6) | |
C(47) | 0.3775 (2) | −0.5377 (2) | −0.5677 (2) | 0.0597 (7) | |
C(48) | 0.3201 (2) | −0.5041 (2) | −0.6436 (1) | 0.0568 (7) | |
C(49) | 0.2015 (2) | −0.4360 (2) | −0.6311 (1) | 0.0519 (7) | |
C(50) | 0.1380 (2) | −0.4006 (2) | −0.5422 (1) | 0.0432 (6) | |
H(2) | 0.3181 | −0.4312 | −0.0418 | 0.059* | |
H(3) | 0.1513 | 0.0635 | 0.0445 | 0.065* | |
H(4) | 0.3035 | 0.0212 | 0.1453 | 0.075* | |
H(5) | 0.4374 | −0.1691 | 0.1729 | 0.080* | |
H(6) | 0.4225 | −0.3280 | 0.1048 | 0.073* | |
H(10) | 0.2346 | −0.4998 | 0.1405 | 0.089* | |
H(11) | 0.1848 | −0.6571 | 0.2108 | 0.099* | |
H(12) | 0.2050 | −0.8075 | 0.1160 | 0.095* | |
H(13) | 0.2866 | −0.8171 | −0.0522 | 0.081* | |
H(16) | 0.4271 | −0.2892 | −0.1980 | 0.061* | |
H(17) | 0.5335 | −0.2336 | −0.0996 | 0.081* | |
H(18) | 0.5100 | −0.0407 | −0.0979 | 0.088* | |
H(19) | 0.3837 | 0.0986 | −0.1955 | 0.088* | |
H(20) | 0.2717 | 0.0464 | −0.2922 | 0.070* | |
H(22) | 0.0715 | −0.0374 | −0.1909 | 0.059* | |
H(23) | −0.1133 | 0.1251 | −0.2014 | 0.065* | |
H(24) | −0.1558 | 0.2102 | −0.3538 | 0.070* | |
H(25) | −0.0101 | 0.1359 | −0.4941 | 0.080* | |
H(26) | 0.1766 | −0.0252 | −0.4850 | 0.066* | |
H(28) | 0.4666 | −0.1027 | −0.4090 | 0.070* | |
H(29) | 0.5915 | −0.1329 | −0.5645 | 0.084* | |
H(30) | 0.5580 | −0.2326 | −0.6841 | 0.080* | |
H(31) | 0.3989 | −0.3004 | −0.6492 | 0.075* | |
H(32) | 0.2744 | −0.2725 | −0.4939 | 0.062* | |
H(34) | −0.0121 | −0.1589 | −0.3060 | 0.051* | |
H(35) | −0.2152 | −0.0280 | −0.3197 | 0.063* | |
H(36) | −0.3497 | −0.0914 | −0.3774 | 0.072* | |
H(37) | −0.2816 | −0.2875 | −0.4206 | 0.069* | |
H(38) | −0.0794 | −0.4193 | −0.4064 | 0.054* | |
H(40) | 0.0593 | −0.4499 | −0.1555 | 0.061* | |
H(41) | 0.0295 | −0.6132 | −0.0799 | 0.079* | |
H(42) | 0.0641 | −0.7736 | −0.1721 | 0.089* | |
H(43) | 0.1265 | −0.7714 | −0.3411 | 0.086* | |
H(44) | 0.1527 | −0.6084 | −0.4191 | 0.067* | |
H(46) | 0.3608 | −0.5298 | −0.4195 | 0.062* | |
H(47) | 0.4709 | −0.5909 | −0.5775 | 0.072* | |
H(48) | 0.3683 | −0.5313 | −0.7127 | 0.068* | |
H(49) | 0.1569 | −0.4097 | −0.6906 | 0.062* | |
H(50) | 0.0448 | −0.3468 | −0.5333 | 0.052* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Cu | 0.0465 (1) | 0.0416 (1) | 0.0372 (1) | −0.0220 (1) | −0.0115 (1) | 0.0029 (1) |
S(1) | 0.0450 (3) | 0.0580 (3) | 0.0424 (3) | −0.0237 (3) | −0.0051 (2) | −0.0106 (2) |
S(2) | 0.0429 (3) | 0.0569 (3) | 0.0425 (3) | −0.0107 (3) | −0.0016 (2) | 0.0099 (3) |
P(1) | 0.0411 (3) | 0.0370 (3) | 0.0369 (3) | −0.0179 (2) | −0.0097 (2) | 0.0037 (2) |
P(2) | 0.0376 (3) | 0.0359 (3) | 0.0349 (3) | −0.0158 (2) | −0.0088 (2) | −0.0006 (2) |
O(1) | 0.0505 (8) | 0.0358 (7) | 0.0428 (8) | −0.0128 (6) | −0.0129 (6) | −0.0027 (6) |
O(2) | 0.0617 (9) | 0.0421 (8) | 0.0439 (8) | −0.0206 (7) | −0.0098 (7) | −0.0014 (6) |
N(1) | 0.047 (1) | 0.0364 (9) | 0.050 (1) | −0.0106 (8) | −0.0152 (8) | −0.0065 (8) |
N(2) | 0.069 (1) | 0.0332 (9) | 0.040 (1) | −0.0167 (8) | −0.0042 (8) | −0.0009 (7) |
C(1) | 0.044 (1) | 0.041 (1) | 0.033 (1) | −0.0186 (9) | 0.0002 (8) | −0.0050 (8) |
C(2) | 0.046 (1) | 0.042 (1) | 0.035 (1) | −0.0182 (9) | −0.0038 (9) | −0.0035 (9) |
C(3) | 0.065 (1) | 0.044 (1) | 0.056 (1) | −0.026 (1) | −0.007 (1) | −0.008 (1) |
C(4) | 0.069 (2) | 0.071 (2) | 0.062 (2) | −0.039 (1) | −0.009 (1) | −0.019 (1) |
C(5) | 0.061 (2) | 0.083 (2) | 0.063 (2) | −0.028 (1) | −0.023 (1) | −0.014 (1) |
C(6) | 0.055 (1) | 0.058 (1) | 0.066 (2) | −0.011 (1) | −0.025 (1) | −0.005 (1) |
C(7) | 0.046 (1) | 0.041 (1) | 0.041 (1) | −0.0138 (9) | −0.0078 (9) | −0.0058 (9) |
C(8) | 0.033 (1) | 0.036 (1) | 0.044 (1) | −0.0065 (8) | −0.0071 (8) | 0.0028 (9) |
C(9) | 0.050 (1) | 0.037 (1) | 0.043 (1) | −0.008 (1) | −0.002 (1) | 0.0051 (9) |
C(10) | 0.092 (2) | 0.058 (2) | 0.044 (1) | −0.009 (1) | 0.006 (1) | −0.001 (1) |
C(11) | 0.071 (2) | 0.080 (2) | 0.062 (2) | −0.010 (2) | 0.013 (1) | 0.025 (1) |
C(12) | 0.065 (2) | 0.071 (2) | 0.095 (2) | −0.031 (1) | −0.006 (2) | 0.032 (2) |
C(13) | 0.079 (2) | 0.054 (1) | 0.080 (2) | −0.038 (1) | −0.017 (1) | 0.013 (1) |
C(14) | 0.045 (1) | 0.046 (1) | 0.050 (1) | −0.016 (1) | −0.009 (1) | 0.006 (1) |
C(15) | 0.043 (1) | 0.050 (1) | 0.038 (1) | −0.025 (1) | −0.0072 (9) | 0.0004 (9) |
C(16) | 0.044 (1) | 0.062 (1) | 0.053 (1) | −0.025 (1) | −0.013 (1) | 0.005 (1) |
C(17) | 0.052 (1) | 0.101 (2) | 0.062 (2) | −0.038 (1) | −0.024 (1) | 0.008 (1) |
C(18) | 0.071 (2) | 0.120 (2) | 0.058 (2) | −0.063 (2) | −0.013 (1) | −0.010 (2) |
C(19) | 0.093 (2) | 0.076 (2) | 0.075 (2) | −0.058 (2) | −0.010 (2) | −0.013 (1) |
C(20) | 0.072 (2) | 0.057 (1) | 0.059 (1) | −0.035 (1) | −0.020 (1) | 0.002 (1) |
C(21) | 0.040 (1) | 0.035 (1) | 0.040 (1) | −0.0175 (9) | −0.0110 (8) | 0.0046 (8) |
C(22) | 0.055 (1) | 0.043 (1) | 0.042 (1) | −0.014 (1) | −0.007 (1) | 0.0080 (9) |
C(23) | 0.054 (1) | 0.045 (1) | 0.056 (1) | −0.017 (1) | 0.004 (1) | −0.000 (1) |
C(24) | 0.052 (1) | 0.042 (1) | 0.071 (2) | −0.008 (1) | −0.017 (1) | 0.007 (1) |
C(25) | 0.077 (2) | 0.057 (1) | 0.047 (1) | −0.006 (1) | −0.021 (1) | 0.013 (1) |
C(26) | 0.062 (1) | 0.052 (1) | 0.039 (1) | −0.012 (1) | −0.006 (1) | 0.005 (1) |
C(27) | 0.042 (1) | 0.039 (1) | 0.040 (1) | −0.0154 (9) | −0.0064 (9) | 0.0025 (8) |
C(28) | 0.060 (1) | 0.073 (2) | 0.053 (1) | −0.040 (1) | −0.004 (1) | −0.003 (1) |
C(29) | 0.063 (2) | 0.093 (2) | 0.063 (2) | −0.048 (1) | 0.006 (1) | 0.003 (1) |
C(30) | 0.065 (2) | 0.080 (2) | 0.045 (1) | −0.026 (1) | 0.007 (1) | 0.000 (1) |
C(31) | 0.075 (2) | 0.071 (2) | 0.043 (1) | −0.030 (1) | −0.003 (1) | −0.009 (1) |
C(32) | 0.055 (1) | 0.056 (1) | 0.050 (1) | −0.028 (1) | −0.005 (1) | −0.004 (1) |
C(33) | 0.035 (1) | 0.040 (1) | 0.0300 (9) | −0.0146 (8) | −0.0058 (8) | 0.0016 (8) |
C(34) | 0.043 (1) | 0.044 (1) | 0.041 (1) | −0.0179 (9) | −0.0068 (9) | −0.0035 (9) |
C(35) | 0.051 (1) | 0.044 (1) | 0.053 (1) | −0.008 (1) | −0.007 (1) | −0.005 (1) |
C(36) | 0.039 (1) | 0.066 (2) | 0.064 (2) | −0.007 (1) | −0.011 (1) | −0.002 (1) |
C(37) | 0.047 (1) | 0.072 (2) | 0.063 (1) | −0.028 (1) | −0.019 (1) | −0.001 (1) |
C(38) | 0.042 (1) | 0.048 (1) | 0.047 (1) | −0.019 (1) | −0.0078 (9) | −0.0047 (9) |
C(39) | 0.041 (1) | 0.037 (1) | 0.048 (1) | −0.0175 (9) | −0.0153 (9) | 0.0044 (9) |
C(40) | 0.057 (1) | 0.049 (1) | 0.050 (1) | −0.026 (1) | −0.010 (1) | 0.006 (1) |
C(41) | 0.071 (2) | 0.072 (2) | 0.060 (2) | −0.038 (1) | −0.014 (1) | 0.023 (1) |
C(42) | 0.078 (2) | 0.056 (2) | 0.101 (2) | −0.039 (1) | −0.033 (2) | 0.030 (2) |
C(43) | 0.088 (2) | 0.041 (1) | 0.097 (2) | −0.031 (1) | −0.031 (2) | 0.005 (1) |
C(44) | 0.068 (2) | 0.045 (1) | 0.060 (1) | −0.025 (1) | −0.021 (1) | 0.001 (1) |
C(45) | 0.041 (1) | 0.036 (1) | 0.037 (1) | −0.0170 (9) | −0.0051 (8) | −0.0054 (8) |
C(46) | 0.042 (1) | 0.056 (1) | 0.051 (1) | −0.011 (1) | −0.011 (1) | −0.005 (1) |
C(47) | 0.042 (1) | 0.061 (1) | 0.062 (2) | −0.008 (1) | 0.000 (1) | −0.012 (1) |
C(48) | 0.058 (1) | 0.064 (1) | 0.046 (1) | −0.026 (1) | 0.007 (1) | −0.016 (1) |
C(49) | 0.058 (1) | 0.061 (1) | 0.039 (1) | −0.026 (1) | −0.007 (1) | −0.001 (1) |
C(50) | 0.043 (1) | 0.045 (1) | 0.039 (1) | −0.0160 (9) | −0.0053 (9) | −0.0035 (9) |
Geometric parameters (Å, º) top
Cu—S(1) | 2.376 (1) | C(22)—C(23) | 1.383 (4) |
Cu—S(2) | 2.467 (1) | C(22)—H(22) | 1.08 |
Cu—P(1) | 2.3026 (8) | C(23)—C(24) | 1.376 (4) |
Cu—P(2) | 2.3006 (8) | C(23)—H(23) | 1.08 |
S(1)—C(1) | 1.701 (2) | C(24)—C(25) | 1.363 (4) |
S(2)—C(8) | 1.672 (3) | C(24)—H(24) | 1.08 |
P(1)—C(15) | 1.826 (2) | C(25)—C(26) | 1.386 (4) |
P(1)—C(21) | 1.827 (2) | C(25)—H(25) | 1.08 |
P(1)—C(27) | 1.830 (3) | C(26)—H(26) | 1.08 |
P(2)—C(33) | 1.827 (2) | C(27)—C(28) | 1.391 (3) |
P(2)—C(39) | 1.834 (2) | C(27)—C(32) | 1.396 (3) |
P(2)—C(45) | 1.831 (2) | C(28)—C(29) | 1.389 (4) |
O(1)—C(1) | 1.385 (3) | C(28)—H(28) | 1.08 |
O(1)—C(2) | 1.382 (3) | C(29)—C(30) | 1.384 (4) |
O(2)—C(8) | 1.368 (3) | C(29)—H(29) | 1.08 |
O(2)—C(14) | 1.391 (3) | C(30)—C(31) | 1.368 (4) |
N(1)—C(1) | 1.309 (3) | C(30)—H(30) | 1.08 |
N(1)—C(7) | 1.395 (3) | C(31)—C(32) | 1.387 (4) |
N(2)—C(8) | 1.316 (3) | C(31)—H(31) | 1.08 |
N(2)—C(9) | 1.385 (3) | C(32)—H(32) | 1.08 |
N(2)—H(2) | 0.95 | C(33)—C(34) | 1.389 (3) |
C(2)—C(3) | 1.380 (3) | C(33)—C(38) | 1.396 (3) |
C(2)—C(7) | 1.379 (3) | C(34)—C(35) | 1.387 (3) |
C(3)—C(4) | 1.384 (4) | C(34)—H(34) | 1.08 |
C(3)—H(3) | 1.08 | C(35)—C(36) | 1.377 (4) |
C(4)—C(5) | 1.388 (4) | C(35)—H(35) | 1.08 |
C(4)—H(4) | 1.08 | C(36)—C(37) | 1.388 (4) |
C(5)—C(6) | 1.384 (4) | C(36)—H(36) | 1.08 |
C(5)—H(5) | 1.08 | C(37)—C(38) | 1.382 (4) |
C(6)—C(7) | 1.391 (3) | C(37)—H(37) | 1.08 |
C(6)—H(6) | 1.08 | C(38)—H(38) | 1.08 |
C(9)—C(10) | 1.386 (4) | C(39)—C(40) | 1.382 (3) |
C(9)—C(14) | 1.364 (4) | C(39)—C(44) | 1.398 (3) |
C(10)—C(11) | 1.386 (4) | C(40)—C(41) | 1.393 (4) |
C(10)—H(10) | 1.08 | C(40)—H(40) | 1.08 |
C(11)—C(12) | 1.368 (5) | C(41)—C(42) | 1.370 (4) |
C(11)—H(11) | 1.08 | C(41)—H(41) | 1.08 |
C(12)—C(13) | 1.372 (4) | C(42)—C(43) | 1.368 (4) |
C(12)—H(12) | 1.08 | C(42)—H(42) | 1.08 |
C(13)—C(14) | 1.368 (4) | C(43)—C(44) | 1.384 (4) |
C(13)—H(13) | 1.08 | C(43)—H(43) | 1.08 |
C(15)—C(16) | 1.382 (3) | C(44)—H(44) | 1.08 |
C(15)—C(20) | 1.395 (3) | C(45)—C(46) | 1.394 (3) |
C(16)—C(17) | 1.388 (4) | C(45)—C(50) | 1.390 (3) |
C(16)—H(16) | 1.08 | C(46)—C(47) | 1.390 (4) |
C(17)—C(18) | 1.365 (4) | C(46)—H(46) | 1.08 |
C(17)—H(17) | 1.08 | C(47)—C(48) | 1.380 (4) |
C(18)—C(19) | 1.367 (4) | C(47)—H(47) | 1.08 |
C(18)—H(18) | 1.08 | C(48)—C(49) | 1.373 (4) |
C(19)—C(20) | 1.393 (4) | C(48)—H(48) | 1.08 |
C(19)—H(19) | 1.08 | C(49)—C(50) | 1.394 (3) |
C(20)—H(20) | 1.08 | C(49)—H(49) | 1.08 |
C(21)—C(22) | 1.384 (3) | C(50)—H(50) | 1.08 |
C(21)—C(26) | 1.385 (3) | | |
| | | |
S(2)···H(48)i | 3.0446 | C(27)···H(47)i | 2.8623 |
O(1)···O(1)ii | 3.424 (4) | C(32)···H(47)i | 2.8863 |
O(2)···H(5)iii | 2.8644 | C(33)···H(11)vi | 2.7818 |
O(2)···H(6)iii | 2.9435 | C(33)···H(25)viii | 3.0436 |
O(2)···H(30)i | 2.9588 | C(34)···H(25)viii | 2.6954 |
O(2)···C(5)iii | 3.527 (4) | C(35)···H(4)ii | 3.0372 |
O(2)···C(6)iii | 3.544 (4) | C(35)···H(26)viii | 3.0380 |
C(2)···H(23)ii | 2.7185 | C(35)···H(25)viii | 3.0451 |
C(3)···H(23)ii | 2.7722 | C(37)···H(11)vi | 2.8790 |
C(3)···H(12)iv | 2.9775 | C(38)···H(11)vi | 2.5943 |
C(3)···C(23)ii | 3.568 (4) | C(47)···H(37)ix | 3.0237 |
C(4)···H(12)iv | 2.8756 | C(48)···H(37)ix | 3.0179 |
C(4)···H(23)ii | 2.9204 | C(49)···H(24)viii | 2.7907 |
C(4)···H(18)v | 3.0388 | C(49)···H(38)ix | 2.8492 |
C(7)···H(23)ii | 2.8884 | C(50)···H(24)viii | 2.8855 |
C(8)···H(6)iii | 2.8245 | C(50)···H(38)ix | 2.9401 |
C(10)···H(17)iii | 2.9416 | H(3)···H(12)iv | 2.4328 |
C(10)···C(41)vi | 3.532 (5) | H(4)···H(12)iv | 2.1403 |
C(11)···H(17)iii | 2.8171 | H(4)···H(18)v | 2.4118 |
C(11)···C(40)vi | 3.412 (4) | H(4)···H(35)ii | 2.5713 |
C(11)···C(17)iii | 3.586 (5) | H(5)···H(30)x | 2.6875 |
C(12)···H(17)iii | 2.8922 | H(10)···H(49)x | 2.6632 |
C(12)···H(4)vii | 2.9860 | H(13)···H(19)vii | 2.3299 |
C(13)···H(17)iii | 3.0589 | H(19)···H(30)xi | 2.6025 |
C(19)···H(13)iv | 2.9075 | H(20)···H(43)iv | 2.5000 |
C(24)···C(50)viii | 3.509 (4) | H(25)···H(50)viii | 2.6861 |
C(24)···C(49)viii | 3.580 (4) | H(28)···H(36)xii | 2.4887 |
C(25)···C(26)viii | 3.523 (4) | H(37)···H(44)ix | 2.6996 |
C(25)···C(25)viii | 3.556 (7) | | |
| | | |
S(1)—Cu—S(2) | 110.27 (4) | C(22)—C(21)—C(26) | 118.4 (2) |
S(1)—Cu—P(1) | 107.12 (3) | C(21)—C(22)—C(23) | 120.8 (3) |
S(1)—Cu—P(2) | 104.47 (3) | C(21)—C(22)—H(22) | 119.6 |
S(2)—Cu—P(1) | 111.63 (3) | C(23)—C(22)—H(22) | 119.6 |
S(2)—Cu—P(2) | 99.91 (3) | C(22)—C(23)—C(24) | 120.3 (3) |
P(1)—Cu—P(2) | 122.90 (3) | C(22)—C(23)—H(23) | 119.9 |
Cu—S(1)—C(1) | 105.46 (9) | C(24)—C(23)—H(23) | 119.9 |
Cu—S(2)—C(8) | 104.90 (9) | C(23)—C(24)—C(25) | 119.3 (3) |
Cu—P(1)—C(15) | 115.73 (9) | C(23)—C(24)—H(24) | 120.3 |
Cu—P(1)—C(21) | 111.66 (8) | C(25)—C(24)—H(24) | 120.3 |
Cu—P(1)—C(27) | 118.77 (9) | C(24)—C(25)—C(26) | 121.0 (3) |
C(15)—P(1)—C(21) | 102.3 (1) | C(24)—C(25)—H(25) | 119.5 |
C(15)—P(1)—C(27) | 102.8 (1) | C(26)—C(25)—H(25) | 119.5 |
C(21)—P(1)—C(27) | 103.6 (1) | C(21)—C(26)—C(25) | 120.2 (3) |
Cu—P(2)—C(33) | 114.28 (8) | C(21)—C(26)—H(26) | 119.9 |
Cu—P(2)—C(39) | 114.93 (9) | C(25)—C(26)—H(26) | 119.9 |
Cu—P(2)—C(45) | 115.43 (8) | P(1)—C(27)—C(28) | 123.8 (2) |
C(33)—P(2)—C(39) | 103.3 (1) | P(1)—C(27)—C(32) | 118.1 (2) |
C(33)—P(2)—C(45) | 104.8 (1) | C(28)—C(27)—C(32) | 118.2 (3) |
C(39)—P(2)—C(45) | 102.6 (1) | C(27)—C(28)—C(29) | 120.5 (3) |
C(1)—O(1)—C(2) | 104.7 (2) | C(27)—C(28)—H(28) | 119.7 |
C(8)—O(2)—C(14) | 106.7 (2) | C(29)—C(28)—H(28) | 119.7 |
C(1)—N(1)—C(7) | 106.6 (2) | C(28)—C(29)—C(30) | 120.2 (3) |
C(8)—N(2)—C(9) | 109.3 (2) | C(28)—C(29)—H(29) | 119.9 |
C(8)—N(2)—H(2) | 125.4 | C(30)—C(29)—H(29) | 119.9 |
C(9)—N(2)—H(2) | 125.4 | C(29)—C(30)—C(31) | 119.9 (3) |
S(1)—C(1)—O(1) | 118.8 (2) | C(29)—C(30)—H(30) | 120.0 |
S(1)—C(1)—N(1) | 128.6 (2) | C(31)—C(30)—H(30) | 120.0 |
O(1)—C(1)—N(1) | 112.6 (2) | C(30)—C(31)—C(32) | 120.2 (3) |
O(1)—C(2)—C(3) | 127.9 (3) | C(30)—C(31)—H(31) | 119.9 |
O(1)—C(2)—C(7) | 108.4 (2) | C(32)—C(31)—H(31) | 119.9 |
C(3)—C(2)—C(7) | 123.7 (3) | C(27)—C(32)—C(31) | 120.9 (3) |
C(2)—C(3)—C(4) | 115.3 (3) | C(27)—C(32)—H(32) | 119.5 |
C(2)—C(3)—H(3) | 122.4 | C(31)—C(32)—H(32) | 119.5 |
C(4)—C(3)—H(3) | 122.4 | P(2)—C(33)—C(34) | 118.3 (2) |
C(3)—C(4)—C(5) | 122.3 (3) | P(2)—C(33)—C(38) | 122.8 (2) |
C(3)—C(4)—H(4) | 118.9 | C(34)—C(33)—C(38) | 118.8 (2) |
C(5)—C(4)—H(4) | 118.9 | C(33)—C(34)—C(35) | 120.5 (2) |
C(4)—C(5)—C(6) | 121.5 (3) | C(33)—C(34)—H(34) | 119.7 |
C(4)—C(5)—H(5) | 119.2 | C(35)—C(34)—H(34) | 119.7 |
C(6)—C(5)—H(5) | 119.3 | C(34)—C(35)—C(36) | 120.3 (3) |
C(5)—C(6)—C(7) | 116.8 (3) | C(34)—C(35)—H(35) | 119.9 |
C(5)—C(6)—H(6) | 121.6 | C(36)—C(35)—H(35) | 119.9 |
C(7)—C(6)—H(6) | 121.6 | C(35)—C(36)—C(37) | 119.8 (3) |
N(1)—C(7)—C(2) | 107.8 (2) | C(35)—C(36)—H(36) | 120.1 |
N(1)—C(7)—C(6) | 131.7 (3) | C(37)—C(36)—H(36) | 120.1 |
C(2)—C(7)—C(6) | 120.5 (3) | C(36)—C(37)—C(38) | 120.2 (3) |
S(2)—C(8)—O(2) | 121.6 (2) | C(36)—C(37)—H(37) | 119.9 |
S(2)—C(8)—N(2) | 129.1 (2) | C(38)—C(37)—H(37) | 119.9 |
O(2)—C(8)—N(2) | 109.3 (2) | C(33)—C(38)—C(37) | 120.4 (3) |
N(2)—C(9)—C(10) | 132.4 (3) | C(33)—C(38)—H(38) | 119.8 |
N(2)—C(9)—C(14) | 106.7 (2) | C(37)—C(38)—H(38) | 119.8 |
C(10)—C(9)—C(14) | 120.9 (3) | P(2)—C(39)—C(40) | 118.3 (2) |
C(9)—C(10)—C(11) | 116.0 (3) | P(2)—C(39)—C(44) | 123.2 (2) |
C(9)—C(10)—H(10) | 122.0 | C(40)—C(39)—C(44) | 118.4 (3) |
C(11)—C(10)—H(10) | 122.0 | C(39)—C(40)—C(41) | 120.1 (3) |
C(10)—C(11)—C(12) | 121.6 (3) | C(39)—C(40)—H(40) | 119.9 |
C(10)—C(11)—H(11) | 119.2 | C(41)—C(40)—H(40) | 119.9 |
C(12)—C(11)—H(11) | 119.2 | C(40)—C(41)—C(42) | 120.8 (3) |
C(11)—C(12)—C(13) | 122.4 (3) | C(40)—C(41)—H(41) | 119.6 |
C(11)—C(12)—H(12) | 118.8 | C(42)—C(41)—H(41) | 119.6 |
C(13)—C(12)—H(12) | 118.8 | C(41)—C(42)—C(43) | 119.6 (3) |
C(12)—C(13)—C(14) | 115.4 (3) | C(41)—C(42)—H(42) | 120.2 |
C(12)—C(13)—H(13) | 122.3 | C(43)—C(42)—H(42) | 120.2 |
C(14)—C(13)—H(13) | 122.3 | C(42)—C(43)—C(44) | 120.5 (3) |
O(2)—C(14)—C(9) | 107.8 (2) | C(42)—C(43)—H(43) | 119.7 |
O(2)—C(14)—C(13) | 128.6 (3) | C(44)—C(43)—H(43) | 119.7 |
C(9)—C(14)—C(13) | 123.5 (3) | C(39)—C(44)—C(43) | 120.5 (3) |
P(1)—C(15)—C(16) | 119.0 (2) | C(39)—C(44)—H(44) | 119.7 |
P(1)—C(15)—C(20) | 122.0 (2) | C(43)—C(44)—H(44) | 119.7 |
C(16)—C(15)—C(20) | 119.0 (3) | P(2)—C(45)—C(46) | 117.2 (2) |
C(15)—C(16)—C(17) | 120.4 (3) | P(2)—C(45)—C(50) | 123.8 (2) |
C(15)—C(16)—H(16) | 119.8 | C(46)—C(45)—C(50) | 119.0 (2) |
C(17)—C(16)—H(16) | 119.8 | C(45)—C(46)—C(47) | 120.4 (3) |
C(16)—C(17)—C(18) | 120.1 (3) | C(45)—C(46)—H(46) | 119.8 |
C(16)—C(17)—H(17) | 119.9 | C(47)—C(46)—H(46) | 119.8 |
C(18)—C(17)—H(17) | 119.9 | C(46)—C(47)—C(48) | 120.1 (3) |
C(17)—C(18)—C(19) | 120.6 (3) | C(46)—C(47)—H(47) | 119.9 |
C(17)—C(18)—H(18) | 119.7 | C(48)—C(47)—H(47) | 119.9 |
C(19)—C(18)—H(18) | 119.7 | C(47)—C(48)—C(49) | 119.8 (3) |
C(18)—C(19)—C(20) | 120.1 (3) | C(47)—C(48)—H(48) | 120.1 |
C(18)—C(19)—H(19) | 119.9 | C(49)—C(48)—H(48) | 120.1 |
C(20)—C(19)—H(19) | 119.9 | C(48)—C(49)—C(50) | 120.7 (3) |
C(15)—C(20)—C(19) | 119.7 (3) | C(48)—C(49)—H(49) | 119.6 |
C(15)—C(20)—H(20) | 120.1 | C(50)—C(49)—H(49) | 119.6 |
C(19)—C(20)—H(20) | 120.1 | C(45)—C(50)—C(49) | 119.9 (3) |
P(1)—C(21)—C(22) | 118.3 (2) | C(45)—C(50)—H(50) | 120.0 |
P(1)—C(21)—C(26) | 123.3 (2) | C(49)—C(50)—H(50) | 120.0 |
| | | |
Cu—S(1)—C(1)—O(1) | 108.7 (2) | C(2)—C(7)—C(6)—C(5) | −1.2 (5) |
Cu—S(1)—C(1)—N(1) | −73.3 (3) | C(3)—C(2)—C(7)—C(6) | 0.6 (4) |
Cu—S(2)—C(8)—O(2) | 115.9 (2) | C(3)—C(4)—C(5)—C(6) | −0.8 (5) |
Cu—S(2)—C(8)—N(2) | −65.5 (3) | C(4)—C(3)—C(2)—C(7) | −0.1 (4) |
Cu—P(1)—C(15)—C(16) | 32.8 (3) | C(4)—C(5)—C(6)—C(7) | 1.3 (5) |
Cu—P(1)—C(15)—C(20) | −148.6 (2) | C(8)—O(2)—C(14)—C(9) | −1.9 (3) |
Cu—P(1)—C(21)—C(22) | 60.5 (2) | C(8)—O(2)—C(14)—C(13) | 175.9 (3) |
Cu—P(1)—C(21)—C(26) | −116.1 (2) | C(8)—N(2)—C(9)—C(10) | −177.2 (3) |
Cu—P(1)—C(27)—C(28) | −141.1 (2) | C(8)—N(2)—C(9)—C(14) | 1.1 (3) |
Cu—P(1)—C(27)—C(32) | 37.6 (2) | C(9)—C(10)—C(11)—C(12) | −0.3 (6) |
Cu—P(2)—C(33)—C(34) | 10.6 (2) | C(9)—C(14)—C(13)—C(12) | 0.4 (5) |
Cu—P(2)—C(33)—C(38) | −169.2 (2) | C(10)—C(9)—C(14)—C(13) | 1.1 (5) |
Cu—P(2)—C(39)—C(40) | 42.8 (2) | C(10)—C(11)—C(12)—C(13) | 1.8 (6) |
Cu—P(2)—C(39)—C(44) | −138.0 (2) | C(11)—C(10)—C(9)—C(14) | −1.1 (5) |
Cu—P(2)—C(45)—C(46) | 50.8 (2) | C(11)—C(12)—C(13)—C(14) | −1.8 (6) |
Cu—P(2)—C(45)—C(50) | −127.2 (2) | C(15)—P(1)—C(21)—C(22) | −63.9 (2) |
S(1)—Cu—S(2)—C(8) | 21.4 (1) | C(15)—P(1)—C(21)—C(26) | 119.5 (2) |
S(1)—Cu—P(1)—C(15) | 60.1 (1) | C(15)—P(1)—C(27)—C(28) | −11.8 (3) |
S(1)—Cu—P(1)—C(21) | −56.37 (9) | C(15)—P(1)—C(27)—C(32) | 166.9 (2) |
S(1)—Cu—P(1)—C(27) | −176.8 (1) | C(15)—C(16)—C(17)—C(18) | −0.3 (5) |
S(1)—Cu—P(2)—C(33) | 53.65 (9) | C(15)—C(20)—C(19)—C(18) | −1.3 (5) |
S(1)—Cu—P(2)—C(39) | −65.6 (1) | C(16)—C(15)—P(1)—C(21) | 154.4 (2) |
S(1)—Cu—P(2)—C(45) | 175.25 (9) | C(16)—C(15)—P(1)—C(27) | −98.3 (2) |
S(1)—C(1)—O(1)—C(2) | 178.9 (2) | C(16)—C(15)—C(20)—C(19) | 0.6 (5) |
S(1)—C(1)—N(1)—C(7) | −178.1 (2) | C(16)—C(17)—C(18)—C(19) | −0.4 (5) |
S(2)—Cu—S(1)—C(1) | 63.8 (1) | C(17)—C(16)—C(15)—C(20) | 0.2 (4) |
S(2)—Cu—P(1)—C(15) | −60.7 (1) | C(17)—C(18)—C(19)—C(20) | 1.2 (6) |
S(2)—Cu—P(1)—C(21) | −177.17 (9) | C(20)—C(15)—P(1)—C(21) | −26.9 (3) |
S(2)—Cu—P(1)—C(27) | 62.4 (1) | C(20)—C(15)—P(1)—C(27) | 80.3 (3) |
S(2)—Cu—P(2)—C(33) | 167.75 (9) | C(21)—P(1)—C(27)—C(28) | 94.4 (3) |
S(2)—Cu—P(2)—C(39) | 48.5 (1) | C(21)—P(1)—C(27)—C(32) | −86.8 (2) |
S(2)—Cu—P(2)—C(45) | −70.6 (1) | C(21)—C(22)—C(23)—C(24) | 0.2 (5) |
S(2)—C(8)—O(2)—C(14) | −178.6 (2) | C(21)—C(26)—C(25)—C(24) | 0.6 (5) |
S(2)—C(8)—N(2)—C(9) | 179.0 (2) | C(22)—C(21)—P(1)—C(27) | −170.6 (2) |
P(1)—Cu—S(1)—C(1) | −57.8 (1) | C(22)—C(21)—C(26)—C(25) | −1.5 (4) |
P(1)—Cu—S(2)—C(8) | 140.3 (1) | C(22)—C(23)—C(24)—C(25) | −1.1 (5) |
P(1)—Cu—P(2)—C(33) | −68.29 (9) | C(23)—C(22)—C(21)—C(26) | 1.1 (4) |
P(1)—Cu—P(2)—C(39) | 172.5 (1) | C(23)—C(24)—C(25)—C(26) | 0.7 (5) |
P(1)—Cu—P(2)—C(45) | 53.3 (1) | C(26)—C(21)—P(1)—C(27) | 12.8 (3) |
P(1)—C(15)—C(16)—C(17) | 178.9 (2) | C(27)—C(28)—C(29)—C(30) | 0.2 (5) |
P(1)—C(15)—C(20)—C(19) | −178.1 (2) | C(27)—C(32)—C(31)—C(30) | 0.3 (5) |
P(1)—C(21)—C(22)—C(23) | −175.6 (2) | C(28)—C(27)—C(32)—C(31) | 0.2 (4) |
P(1)—C(21)—C(26)—C(25) | 175.1 (2) | C(28)—C(29)—C(30)—C(31) | 0.3 (5) |
P(1)—C(27)—C(28)—C(29) | 178.3 (2) | C(29)—C(28)—C(27)—C(32) | −0.5 (5) |
P(1)—C(27)—C(32)—C(31) | −178.6 (2) | C(29)—C(30)—C(31)—C(32) | −0.6 (5) |
P(2)—Cu—S(1)—C(1) | 170.4 (1) | C(33)—P(2)—C(39)—C(40) | −82.4 (2) |
P(2)—Cu—S(2)—C(8) | −88.2 (1) | C(33)—P(2)—C(39)—C(44) | 96.8 (2) |
P(2)—Cu—P(1)—C(15) | −179.2 (1) | C(33)—P(2)—C(45)—C(46) | 177.4 (2) |
P(2)—Cu—P(1)—C(21) | 64.3 (1) | C(33)—P(2)—C(45)—C(50) | −0.6 (2) |
P(2)—Cu—P(1)—C(27) | −56.1 (1) | C(33)—C(34)—C(35)—C(36) | 0.1 (4) |
P(2)—C(33)—C(34)—C(35) | 179.3 (2) | C(33)—C(38)—C(37)—C(36) | −0.5 (5) |
P(2)—C(33)—C(38)—C(37) | −179.1 (2) | C(34)—C(33)—P(2)—C(39) | 136.2 (2) |
P(2)—C(39)—C(40)—C(41) | 178.1 (2) | C(34)—C(33)—P(2)—C(45) | −116.7 (2) |
P(2)—C(39)—C(44)—C(43) | −178.7 (2) | C(34)—C(33)—C(38)—C(37) | 1.0 (4) |
P(2)—C(45)—C(46)—C(47) | −178.4 (2) | C(34)—C(35)—C(36)—C(37) | 0.4 (5) |
P(2)—C(45)—C(50)—C(49) | 178.4 (2) | C(35)—C(34)—C(33)—C(38) | −0.8 (4) |
O(1)—C(1)—N(1)—C(7) | 0.0 (3) | C(35)—C(36)—C(37)—C(38) | −0.2 (5) |
O(1)—C(2)—C(3)—C(4) | 178.7 (3) | C(38)—C(33)—P(2)—C(39) | −43.6 (2) |
O(1)—C(2)—C(7)—N(1) | 1.0 (3) | C(38)—C(33)—P(2)—C(45) | 63.5 (2) |
O(1)—C(2)—C(7)—C(6) | −178.3 (3) | C(39)—P(2)—C(45)—C(46) | −75.0 (2) |
O(2)—C(8)—N(2)—C(9) | −2.3 (3) | C(39)—P(2)—C(45)—C(50) | 107.0 (2) |
O(2)—C(14)—C(9)—N(2) | 0.6 (3) | C(39)—C(40)—C(41)—C(42) | 1.1 (5) |
O(2)—C(14)—C(9)—C(10) | 179.1 (3) | C(39)—C(44)—C(43)—C(42) | 0.3 (5) |
O(2)—C(14)—C(13)—C(12) | −177.2 (3) | C(40)—C(39)—P(2)—C(45) | 168.8 (2) |
N(1)—C(1)—O(1)—C(2) | 0.6 (3) | C(40)—C(39)—C(44)—C(43) | 0.5 (4) |
N(1)—C(7)—C(2)—C(3) | 179.9 (3) | C(40)—C(41)—C(42)—C(43) | −0.3 (5) |
N(1)—C(7)—C(6)—C(5) | 179.7 (3) | C(41)—C(40)—C(39)—C(44) | −1.2 (4) |
N(2)—C(8)—O(2)—C(14) | 2.6 (3) | C(41)—C(42)—C(43)—C(44) | −0.4 (6) |
N(2)—C(9)—C(10)—C(11) | 177.0 (3) | C(44)—C(39)—P(2)—C(45) | −11.9 (3) |
N(2)—C(9)—C(14)—C(13) | −177.4 (3) | C(45)—C(46)—C(47)—C(48) | −0.1 (5) |
C(1)—O(1)—C(2)—C(3) | −179.8 (3) | C(45)—C(50)—C(49)—C(48) | −0.2 (4) |
C(1)—O(1)—C(2)—C(7) | −0.9 (3) | C(46)—C(45)—C(50)—C(49) | 0.5 (4) |
C(1)—N(1)—C(7)—C(2) | −0.6 (3) | C(46)—C(47)—C(48)—C(49) | 0.3 (5) |
C(1)—N(1)—C(7)—C(6) | 178.6 (3) | C(47)—C(46)—C(45)—C(50) | −0.3 (4) |
C(2)—C(3)—C(4)—C(5) | 0.1 (5) | C(47)—C(48)—C(49)—C(50) | −0.2 (5) |
Symmetry codes: (i) −x+1, −y−1, −z−1; (ii) −x, −y, −z; (iii) −x+1, −y−1, −z; (iv) x, y+1, z; (v) −x+1, −y, −z; (vi) −x, −y−1, −z; (vii) x, y−1, z; (viii) −x, −y, −z−1; (ix) −x, −y−1, −z−1; (x) x, y, z+1; (xi) −x+1, −y, −z−1; (xii) x+1, y, z. |
Subscribe to Acta Crystallographica Section C: Structural Chemistry
The full text of this article is available to subscribers to the journal.
If you have already registered and are using a computer listed in your registration details, please email
support@iucr.org for assistance.