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The title compound, [Cu(C8H4O4)(C21H15N3)]·C8H6O4, consists of polymeric chains in which the terpyridine heterocycle chelates to the Cu atom in an N,N′,N′′-tridentate manner; the Cu atoms are also covalently bonded through the two singly-bonded carboxyl O atoms of the dicarboxyl­ate dianions to give rise to a chain structure. An additional terephthalic acid molecule is hydrogen bonded to the chains. The asymmetric unit contains halves of two different half-molecule terephthalate ions; in each case, the complete ions are generated by inversion symmetry.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804031940/hb6119sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804031940/hb6119Isup2.hkl
Contains datablock I

CCDC reference: 262255

Key indicators

  • Single-crystal X-ray study
  • T = 295 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.043
  • wR factor = 0.127
  • Data-to-parameter ratio = 15.6

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low ....... 0.95 PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for O2
Alert level C ABSTM02_ALERT_3_C The ratio of expected to reported Tmax/Tmin(RR') is < 0.90 Tmin and Tmax reported: 0.707 0.920 Tmin' and Tmax expected: 0.816 0.919 RR' = 0.866 Please check that your absorption correction is appropriate. REFLT03_ALERT_3_C Reflection count < 95% complete From the CIF: _diffrn_reflns_theta_max 27.90 From the CIF: _diffrn_reflns_theta_full 27.90 From the CIF: _reflns_number_total 7024 TEST2: Reflns within _diffrn_reflns_theta_max Count of symmetry unique reflns 7404 Completeness (_total/calc) 94.87% PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large ............. 0.86 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.03 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 1 N2 -CU1 -O1 -C1 11.20 0.60 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 17 O1 -CU1 -N2 -C18 -97.90 0.60 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 21 O1 -CU1 -N2 -C14 86.90 0.60 1.555 1.555 1.555 1.555
0 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 7 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 3 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.

catena-Poly[[[(4'-phenyl-2,2':6',2''-terpyridine-κ3N)copper(II)]- µ-terephthalato-κ2O:O'] terephthalic acid] top
Crystal data top
[Cu(C8H4O4)(C21H15N3)]·C8H6O4Z = 2
Mr = 703.14F(000) = 722
Triclinic, P1Dx = 1.510 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 8.0952 (5) ÅCell parameters from 4160 reflections
b = 13.9570 (8) Åθ = 2.2–26.0°
c = 14.1416 (8) ŵ = 0.77 mm1
α = 93.925 (1)°T = 295 K
β = 91.488 (1)°Prism, green
γ = 103.777 (1)°0.26 × 0.18 × 0.11 mm
V = 1546.70 (16) Å3
Data collection top
Bruker APEX area-dectector
diffractometer
7024 independent reflections
Radiation source: fine-focus sealed tube5819 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.020
φ and ω scansθmax = 27.9°, θmin = 1.4°
Absorption correction: multi-scan
(SADABS; Bruker, 2002)
h = 1010
Tmin = 0.707, Tmax = 0.920k = 1818
13572 measured reflectionsl = 1718
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) = 0.127H atoms treated by a mixture of independent and constrained refinement
S = 1.08 w = 1/[σ2(Fo2) + (0.0744P)2 + 0.1147P]
where P = (Fo2 + 2Fc2)/3
7024 reflections(Δ/σ)max = 0.001
450 parametersΔρmax = 0.61 e Å3
2 restraintsΔρmin = 0.47 e Å3
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Cu10.22179 (3)0.132123 (19)0.331863 (18)0.03213 (11)
O10.3647 (2)0.25793 (12)0.37261 (12)0.0433 (4)
O20.1476 (3)0.27967 (15)0.45626 (17)0.0707 (7)
O30.4304 (2)0.09956 (11)0.23849 (10)0.0341 (4)
O40.3489 (2)0.06372 (11)0.23495 (11)0.0368 (4)
O50.2041 (3)0.24825 (13)0.18840 (14)0.0517 (5)
H5o0.254 (5)0.1890 (12)0.206 (3)0.101 (14)*
O60.2555 (3)0.27656 (15)0.33843 (15)0.0636 (6)
O70.3031 (3)0.74479 (14)0.24618 (14)0.0525 (5)
H7o0.386 (3)0.7946 (18)0.242 (3)0.090 (13)*
O80.4262 (3)0.68005 (14)0.13282 (16)0.0647 (6)
N10.1101 (3)0.16966 (14)0.21283 (14)0.0354 (4)
N20.0531 (2)0.01088 (13)0.29813 (12)0.0286 (4)
N30.2513 (2)0.05599 (14)0.44482 (13)0.0333 (4)
C10.2936 (3)0.30856 (17)0.43008 (16)0.0384 (5)
C20.4012 (3)0.40809 (16)0.46680 (15)0.0339 (5)
C30.5752 (3)0.43206 (17)0.45393 (17)0.0401 (6)
H30.62590.38610.42320.048*
C40.3272 (3)0.47626 (17)0.51341 (18)0.0396 (5)
H40.21080.46020.52280.047*
C50.4080 (3)0.01388 (15)0.19648 (14)0.0273 (4)
C60.4550 (3)0.00686 (15)0.09451 (14)0.0260 (4)
C70.4823 (3)0.08976 (15)0.04183 (14)0.0290 (4)
H70.47010.14990.06970.035*
C80.4725 (3)0.08297 (15)0.05152 (14)0.0283 (4)
H80.45360.13870.08590.034*
C90.1513 (3)0.25602 (18)0.17377 (19)0.0433 (6)
H90.23060.30840.20560.052*
C100.0800 (4)0.2701 (2)0.0876 (2)0.0494 (7)
H100.11160.33100.06160.059*
C110.0380 (4)0.1934 (2)0.0406 (2)0.0489 (6)
H110.08800.20170.01720.059*
C120.0815 (3)0.10341 (19)0.08046 (18)0.0416 (6)
H120.16040.05030.04950.050*
C130.0065 (3)0.09362 (16)0.16653 (16)0.0328 (5)
C140.0410 (3)0.00151 (16)0.21704 (15)0.0301 (4)
C150.1538 (3)0.08669 (16)0.18814 (16)0.0342 (5)
H150.21830.09250.13170.041*
C160.1719 (3)0.16816 (16)0.24367 (15)0.0317 (5)
C170.0703 (3)0.15511 (16)0.32800 (15)0.0313 (5)
H170.07810.20710.36670.038*
C180.0408 (3)0.06496 (16)0.35295 (15)0.0297 (4)
C190.1568 (3)0.03879 (17)0.43834 (15)0.0306 (5)
C210.1690 (3)0.1028 (2)0.50697 (17)0.0406 (5)
H210.10400.16770.50140.049*
C220.2815 (3)0.0673 (2)0.58490 (18)0.0471 (6)
H220.29200.10870.63230.057*
C230.3761 (3)0.0280 (2)0.59152 (17)0.0462 (6)
H230.45160.05210.64310.055*
C240.3580 (3)0.08801 (19)0.52058 (17)0.0397 (6)
H240.42210.15310.52540.048*
C250.2935 (3)0.26311 (16)0.21396 (16)0.0331 (5)
C260.3490 (3)0.28739 (18)0.11902 (18)0.0404 (5)
H260.30780.24350.07370.049*
C270.4636 (4)0.3752 (2)0.0917 (2)0.0491 (6)
H270.49870.39020.02820.059*
C280.5269 (4)0.4412 (2)0.1576 (2)0.0543 (7)
H280.60420.50060.13870.065*
C290.4747 (4)0.4185 (2)0.2517 (2)0.0564 (7)
H290.51730.46280.29650.068*
C300.3596 (3)0.33044 (19)0.27981 (19)0.0459 (6)
H300.32580.31580.34360.055*
C310.1891 (3)0.30418 (18)0.26161 (19)0.0426 (6)
C320.0712 (3)0.40404 (17)0.23867 (18)0.0391 (5)
C330.0239 (4)0.42740 (18)0.1541 (2)0.0471 (6)
H330.00660.38300.10720.056*
C340.1438 (4)0.51556 (19)0.1387 (2)0.0482 (6)
H340.20890.52960.08200.058*
C350.1685 (3)0.58383 (17)0.20703 (18)0.0392 (5)
C360.0665 (3)0.56292 (19)0.2900 (2)0.0464 (6)
H360.07700.60960.33480.056*
C370.0502 (4)0.47307 (19)0.3060 (2)0.0476 (6)
H370.11550.45870.36260.057*
C380.3120 (3)0.67397 (18)0.19068 (19)0.0423 (6)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cu10.03614 (17)0.02649 (16)0.02836 (16)0.00120 (11)0.00163 (11)0.00366 (10)
O10.0492 (10)0.0315 (9)0.0403 (9)0.0045 (7)0.0035 (8)0.0101 (7)
O20.0548 (12)0.0433 (11)0.0952 (17)0.0191 (9)0.0267 (12)0.0253 (11)
O30.0417 (9)0.0259 (8)0.0282 (8)0.0032 (6)0.0061 (7)0.0043 (6)
O40.0502 (10)0.0260 (8)0.0289 (8)0.0017 (7)0.0059 (7)0.0026 (6)
O50.0642 (13)0.0306 (10)0.0501 (11)0.0086 (9)0.0047 (9)0.0028 (8)
O60.0762 (15)0.0465 (11)0.0575 (13)0.0038 (10)0.0117 (11)0.0011 (10)
O70.0501 (11)0.0383 (10)0.0619 (12)0.0069 (9)0.0033 (9)0.0180 (9)
O80.0682 (14)0.0402 (11)0.0742 (14)0.0092 (10)0.0246 (11)0.0121 (10)
N10.0387 (10)0.0268 (9)0.0373 (10)0.0018 (8)0.0014 (8)0.0022 (8)
N20.0296 (9)0.0268 (9)0.0265 (9)0.0016 (7)0.0016 (7)0.0018 (7)
N30.0332 (10)0.0369 (10)0.0271 (9)0.0052 (8)0.0003 (8)0.0042 (8)
C10.0457 (14)0.0277 (11)0.0344 (12)0.0044 (10)0.0004 (10)0.0024 (9)
C20.0426 (13)0.0259 (11)0.0278 (11)0.0015 (9)0.0015 (9)0.0015 (8)
C30.0446 (14)0.0307 (12)0.0413 (13)0.0045 (10)0.0048 (11)0.0079 (10)
C40.0364 (12)0.0335 (12)0.0430 (13)0.0015 (10)0.0056 (10)0.0035 (10)
C50.0256 (10)0.0271 (10)0.0265 (10)0.0016 (8)0.0013 (8)0.0000 (8)
C60.0255 (10)0.0255 (10)0.0249 (10)0.0031 (8)0.0021 (8)0.0007 (8)
C70.0345 (11)0.0238 (10)0.0276 (10)0.0063 (8)0.0004 (8)0.0023 (8)
C80.0334 (11)0.0231 (10)0.0265 (10)0.0030 (8)0.0014 (8)0.0041 (8)
C90.0473 (14)0.0309 (12)0.0480 (14)0.0022 (10)0.0019 (11)0.0045 (10)
C100.0552 (16)0.0374 (14)0.0548 (16)0.0055 (12)0.0041 (13)0.0177 (12)
C110.0504 (15)0.0491 (15)0.0452 (15)0.0045 (12)0.0048 (12)0.0179 (12)
C120.0403 (13)0.0408 (14)0.0398 (13)0.0017 (10)0.0081 (10)0.0070 (10)
C130.0316 (11)0.0311 (11)0.0344 (11)0.0048 (9)0.0018 (9)0.0037 (9)
C140.0304 (11)0.0309 (11)0.0280 (10)0.0055 (9)0.0017 (8)0.0028 (8)
C150.0343 (12)0.0328 (12)0.0321 (11)0.0024 (9)0.0078 (9)0.0027 (9)
C160.0308 (11)0.0298 (11)0.0323 (11)0.0039 (9)0.0002 (9)0.0010 (9)
C170.0313 (11)0.0294 (11)0.0320 (11)0.0035 (9)0.0024 (9)0.0058 (9)
C180.0276 (10)0.0337 (11)0.0270 (10)0.0054 (9)0.0021 (8)0.0022 (8)
C190.0268 (10)0.0378 (12)0.0257 (10)0.0054 (9)0.0015 (8)0.0005 (9)
C210.0373 (13)0.0478 (14)0.0354 (12)0.0066 (11)0.0018 (10)0.0087 (11)
C220.0441 (14)0.0680 (18)0.0321 (12)0.0171 (13)0.0003 (11)0.0115 (12)
C230.0399 (14)0.0681 (18)0.0299 (12)0.0155 (13)0.0066 (10)0.0065 (12)
C240.0346 (12)0.0469 (14)0.0334 (12)0.0060 (10)0.0022 (10)0.0112 (10)
C250.0315 (11)0.0301 (11)0.0352 (11)0.0038 (9)0.0030 (9)0.0001 (9)
C260.0460 (14)0.0323 (12)0.0405 (13)0.0056 (10)0.0053 (11)0.0014 (10)
C270.0538 (16)0.0404 (14)0.0478 (15)0.0058 (12)0.0156 (12)0.0068 (11)
C280.0483 (16)0.0343 (14)0.071 (2)0.0061 (12)0.0094 (14)0.0016 (13)
C290.0563 (17)0.0415 (15)0.0606 (18)0.0111 (13)0.0005 (14)0.0100 (13)
C300.0475 (15)0.0398 (14)0.0427 (14)0.0049 (11)0.0033 (11)0.0067 (11)
C310.0408 (14)0.0337 (13)0.0508 (15)0.0049 (10)0.0042 (12)0.0001 (11)
C320.0360 (12)0.0310 (12)0.0490 (14)0.0054 (10)0.0034 (10)0.0033 (10)
C330.0551 (16)0.0321 (13)0.0504 (15)0.0014 (11)0.0005 (12)0.0117 (11)
C340.0536 (16)0.0363 (13)0.0487 (15)0.0004 (11)0.0085 (12)0.0047 (11)
C350.0390 (13)0.0291 (12)0.0472 (14)0.0035 (10)0.0042 (11)0.0038 (10)
C360.0480 (15)0.0377 (14)0.0512 (15)0.0026 (11)0.0026 (12)0.0151 (11)
C370.0484 (15)0.0425 (14)0.0468 (15)0.0001 (12)0.0046 (12)0.0081 (11)
C380.0470 (14)0.0308 (12)0.0462 (14)0.0036 (10)0.0028 (12)0.0026 (10)
Geometric parameters (Å, º) top
Cu1—O11.901 (2)C12—H120.9300
Cu1—O32.280 (2)C13—C141.485 (3)
Cu1—N12.047 (2)C14—C151.376 (3)
Cu1—N21.927 (2)C15—C161.407 (3)
Cu1—N32.018 (2)C15—H150.9300
O1—C11.277 (3)C16—C171.407 (3)
O2—C11.230 (3)C16—C251.477 (3)
O3—C51.269 (2)C17—C181.378 (3)
O4—C51.243 (2)C17—H170.9300
O5—C311.330 (3)C18—C191.480 (3)
O5—H5o0.85 (1)C19—C211.380 (3)
O6—C311.197 (3)C21—C221.396 (4)
O7—C381.317 (3)C21—H210.9300
O7—H7o0.84 (1)C22—C231.363 (4)
O8—C381.202 (3)C22—H220.9300
N1—C91.334 (3)C23—C241.376 (4)
N1—C131.357 (3)C23—H230.9300
N2—C181.341 (3)C24—H240.9300
N2—C141.341 (3)C25—C301.394 (3)
N3—C241.340 (3)C25—C261.398 (3)
N3—C191.357 (3)C26—C271.373 (3)
C1—C21.503 (3)C26—H260.9300
C2—C41.380 (3)C27—C281.377 (4)
C2—C31.388 (3)C27—H270.9300
C3—C4i1.376 (3)C28—C291.378 (4)
C3—H30.9300C28—H280.9300
C4—C3i1.376 (3)C29—C301.381 (3)
C4—H40.9300C29—H290.9300
C5—C61.504 (3)C30—H300.9300
C6—C81.395 (3)C31—C321.499 (3)
C6—C71.396 (3)C32—C331.381 (4)
C7—C8ii1.382 (3)C32—C371.386 (4)
C7—H70.9300C33—C341.374 (3)
C8—C7ii1.382 (3)C33—H330.9300
C8—H80.9300C34—C351.389 (4)
C9—C101.382 (4)C34—H340.9300
C9—H90.9300C35—C361.391 (4)
C10—C111.372 (4)C35—C381.495 (3)
C10—H100.9300C36—C371.379 (3)
C11—C121.383 (3)C36—H360.9300
C11—H110.9300C37—H370.9300
C12—C131.376 (3)
O1—Cu1—O389.94 (6)C16—C15—H15119.9
O1—Cu1—N199.11 (8)C17—C16—C15117.3 (2)
O1—Cu1—N2172.45 (7)C17—C16—C25121.8 (2)
O1—Cu1—N3100.18 (8)C15—C16—C25120.83 (19)
O3—Cu1—N187.69 (7)C18—C17—C16119.7 (2)
O3—Cu1—N297.43 (7)C18—C17—H17120.1
O3—Cu1—N3101.00 (7)C16—C17—H17120.1
N1—Cu1—N279.65 (7)N2—C18—C17120.91 (19)
N1—Cu1—N3158.81 (8)N2—C18—C19112.32 (19)
N2—Cu1—N380.07 (7)C17—C18—C19126.8 (2)
C1—O1—Cu1113.00 (15)N3—C19—C21121.8 (2)
C5—O3—Cu1118.42 (13)N3—C19—C18113.85 (19)
C31—O5—H5o111 (3)C21—C19—C18124.3 (2)
C38—O7—H7o116 (3)C19—C21—C22118.1 (2)
C9—N1—C13118.8 (2)C19—C21—H21120.9
C9—N1—Cu1126.86 (17)C22—C21—H21120.9
C13—N1—Cu1114.07 (15)C23—C22—C21120.1 (2)
C18—N2—C14121.29 (18)C23—C22—H22120.0
C18—N2—Cu1119.05 (14)C21—C22—H22120.0
C14—N2—Cu1119.48 (15)C22—C23—C24118.9 (2)
C24—N3—C19118.7 (2)C22—C23—H23120.5
C24—N3—Cu1126.87 (17)C24—C23—H23120.5
C19—N3—Cu1114.34 (14)N3—C24—C23122.4 (2)
O2—C1—O1123.8 (2)N3—C24—H24118.8
O2—C1—C2120.4 (2)C23—C24—H24118.8
O1—C1—C2115.8 (2)C30—C25—C26117.8 (2)
C4—C2—C3119.6 (2)C30—C25—C16121.2 (2)
C4—C2—C1120.1 (2)C26—C25—C16121.0 (2)
C3—C2—C1120.3 (2)C27—C26—C25120.9 (2)
C4i—C3—C2120.1 (2)C27—C26—H26119.5
C4i—C3—H3120.0C25—C26—H26119.5
C2—C3—H3120.0C26—C27—C28120.6 (2)
C3i—C4—C2120.3 (2)C26—C27—H27119.7
C3i—C4—H4119.9C28—C27—H27119.7
C2—C4—H4119.9C27—C28—C29119.5 (2)
O4—C5—O3123.53 (19)C27—C28—H28120.2
O4—C5—C6118.78 (18)C29—C28—H28120.2
O3—C5—C6117.69 (18)C28—C29—C30120.3 (3)
C8—C6—C7119.18 (19)C28—C29—H29119.8
C8—C6—C5120.16 (19)C30—C29—H29119.8
C7—C6—C5120.66 (18)C29—C30—C25120.9 (2)
C8ii—C7—C6120.31 (19)C29—C30—H30119.5
C8ii—C7—H7119.8C25—C30—H30119.5
C6—C7—H7119.8O6—C31—O5124.0 (2)
C7ii—C8—C6120.51 (19)O6—C31—C32123.6 (2)
C7ii—C8—H8119.7O5—C31—C32112.3 (2)
C6—C8—H8119.7C33—C32—C37119.0 (2)
N1—C9—C10122.1 (2)C33—C32—C31121.8 (2)
N1—C9—H9119.0C37—C32—C31119.2 (2)
C10—C9—H9119.0C34—C33—C32120.7 (2)
C11—C10—C9119.3 (2)C34—C33—H33119.6
C11—C10—H10120.4C32—C33—H33119.6
C9—C10—H10120.4C33—C34—C35120.4 (2)
C10—C11—C12119.1 (2)C33—C34—H34119.8
C10—C11—H11120.4C35—C34—H34119.8
C12—C11—H11120.4C34—C35—C36119.0 (2)
C13—C12—C11119.1 (2)C34—C35—C38118.2 (2)
C13—C12—H12120.5C36—C35—C38122.7 (2)
C11—C12—H12120.5C37—C36—C35120.1 (2)
N1—C13—C12121.7 (2)C37—C36—H36120.0
N1—C13—C14113.62 (19)C35—C36—H36120.0
C12—C13—C14124.7 (2)C36—C37—C32120.7 (2)
N2—C14—C15120.5 (2)C36—C37—H37119.7
N2—C14—C13112.71 (18)C32—C37—H37119.7
C15—C14—C13126.74 (19)O8—C38—O7123.4 (2)
C14—C15—C16120.2 (2)O8—C38—C35122.6 (2)
C14—C15—H15119.9O7—C38—C35114.0 (2)
N2—Cu1—O1—C111.2 (6)Cu1—N2—C14—C15175.44 (17)
N3—Cu1—O1—C180.07 (18)C18—N2—C14—C13179.25 (19)
N1—Cu1—O1—C191.12 (18)Cu1—N2—C14—C134.1 (2)
O3—Cu1—O1—C1178.77 (17)N1—C13—C14—N21.3 (3)
O1—Cu1—O3—C5173.75 (16)C12—C13—C14—N2178.0 (2)
N2—Cu1—O3—C57.88 (16)N1—C13—C14—C15179.1 (2)
N3—Cu1—O3—C573.39 (16)C12—C13—C14—C151.6 (4)
N1—Cu1—O3—C587.13 (16)N2—C14—C15—C160.1 (3)
O1—Cu1—N1—C97.8 (2)C13—C14—C15—C16179.6 (2)
N2—Cu1—N1—C9179.7 (2)C14—C15—C16—C170.3 (3)
N3—Cu1—N1—C9163.2 (2)C14—C15—C16—C25179.5 (2)
O3—Cu1—N1—C981.7 (2)C15—C16—C17—C180.1 (3)
O1—Cu1—N1—C13178.54 (16)C25—C16—C17—C18179.7 (2)
N2—Cu1—N1—C136.10 (16)C14—N2—C18—C170.5 (3)
N3—Cu1—N1—C1323.2 (3)Cu1—N2—C18—C17175.66 (16)
O3—Cu1—N1—C1391.89 (16)C14—N2—C18—C19179.44 (19)
O1—Cu1—N2—C1897.9 (6)Cu1—N2—C18—C194.3 (2)
N3—Cu1—N2—C185.33 (16)C16—C17—C18—N20.3 (3)
N1—Cu1—N2—C18179.14 (17)C16—C17—C18—C19179.7 (2)
O3—Cu1—N2—C1894.60 (16)C24—N3—C19—C210.6 (3)
O1—Cu1—N2—C1486.9 (6)Cu1—N3—C19—C21176.33 (17)
N3—Cu1—N2—C14179.45 (17)C24—N3—C19—C18178.56 (19)
N1—Cu1—N2—C145.65 (16)Cu1—N3—C19—C184.5 (2)
O3—Cu1—N2—C1480.62 (17)N2—C18—C19—N30.4 (3)
O1—Cu1—N3—C245.8 (2)C17—C18—C19—N3179.7 (2)
N2—Cu1—N3—C24178.1 (2)N2—C18—C19—C21179.5 (2)
N1—Cu1—N3—C24161.0 (2)C17—C18—C19—C210.5 (4)
O3—Cu1—N3—C2486.18 (19)N3—C19—C21—C220.4 (4)
O1—Cu1—N3—C19177.61 (15)C18—C19—C21—C22178.6 (2)
N2—Cu1—N3—C195.28 (15)C19—C21—C22—C230.2 (4)
N1—Cu1—N3—C1922.4 (3)C21—C22—C23—C240.2 (4)
O3—Cu1—N3—C1990.45 (15)C19—N3—C24—C230.6 (3)
Cu1—O1—C1—O20.4 (3)Cu1—N3—C24—C23175.95 (18)
Cu1—O1—C1—C2178.71 (15)C22—C23—C24—N30.4 (4)
O2—C1—C2—C413.9 (4)C17—C16—C25—C3023.7 (3)
O1—C1—C2—C4166.9 (2)C15—C16—C25—C30156.1 (2)
O2—C1—C2—C3166.2 (3)C17—C16—C25—C26157.8 (2)
O1—C1—C2—C312.9 (3)C15—C16—C25—C2622.4 (3)
C4—C2—C3—C4i0.7 (4)C30—C25—C26—C270.7 (4)
C1—C2—C3—C4i179.2 (2)C16—C25—C26—C27179.2 (2)
C3—C2—C4—C3i0.7 (4)C25—C26—C27—C280.3 (4)
C1—C2—C4—C3i179.2 (2)C26—C27—C28—C290.2 (5)
Cu1—O3—C5—O443.1 (3)C27—C28—C29—C300.1 (5)
Cu1—O3—C5—C6136.49 (15)C28—C29—C30—C250.3 (5)
O4—C5—C6—C815.7 (3)C26—C25—C30—C290.7 (4)
O3—C5—C6—C8164.61 (19)C16—C25—C30—C29179.2 (2)
O4—C5—C6—C7164.5 (2)O6—C31—C32—C33169.4 (3)
O3—C5—C6—C715.2 (3)O5—C31—C32—C337.3 (4)
C8—C6—C7—C8ii0.5 (3)O6—C31—C32—C377.1 (4)
C5—C6—C7—C8ii179.23 (19)O5—C31—C32—C37176.2 (2)
C7—C6—C8—C7ii0.5 (3)C37—C32—C33—C343.3 (4)
C5—C6—C8—C7ii179.23 (19)C31—C32—C33—C34173.3 (2)
C13—N1—C9—C100.5 (4)C32—C33—C34—C351.5 (4)
Cu1—N1—C9—C10172.9 (2)C33—C34—C35—C362.0 (4)
N1—C9—C10—C110.5 (4)C33—C34—C35—C38174.1 (2)
C9—C10—C11—C120.5 (4)C34—C35—C36—C373.8 (4)
C10—C11—C12—C130.6 (4)C38—C35—C36—C37172.1 (2)
C9—N1—C13—C120.5 (4)C35—C36—C37—C322.1 (4)
Cu1—N1—C13—C12173.64 (19)C33—C32—C37—C361.5 (4)
C9—N1—C13—C14179.8 (2)C31—C32—C37—C36175.2 (2)
Cu1—N1—C13—C145.7 (2)C34—C35—C38—O816.0 (4)
C11—C12—C13—N10.6 (4)C36—C35—C38—O8159.9 (3)
C11—C12—C13—C14179.8 (2)C34—C35—C38—O7165.0 (2)
C18—N2—C14—C150.3 (3)C36—C35—C38—O719.1 (4)
Symmetry codes: (i) x+1, y+1, z+1; (ii) x+1, y, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O5—H5o···O40.85 (1)1.75 (1)2.594 (2)176 (4)
O7—H7o···O3iii0.84 (1)1.82 (1)2.666 (2)177 (4)
Symmetry code: (iii) x1, y1, z.
 

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