Buy article online - an online subscription or single-article purchase is required to access this article.
Download citation
Download citation
link to html
The Cu atom in the title complex {[Cu(C10H8N2)(C12H8N2)(ClO4)2]·H2O}n, has an N4O2 octahedral coordination geometry, the Cu atoms being bridged by the bi­pyridine and chelated by the phenanthroline heterocycles. Adjacent mol­ecules are linked into a zigzag chain running along the c axis of the monoclinic unit cell. The chains are connected through lattice water mol­ecules to produce a layer structure.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270100011057/qa0341sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108270100011057/qa0341Isup2.hkl
Contains datablock I

CCDC reference: 150721

Computing details top

Data collection: R3m Software (Siemens, 1990); cell refinement: R3m Software; data reduction: R3m Software; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); software used to prepare material for publication: SHELXL97.

catena-(µ2-4,4'-bipyridine)(1,10-phenanthroline)(diperchlorato)copper(II)monohydrate top
Crystal data top
[Cu(C12H8N2)(C10H8N2)(ClO4)2]·H2OF(000) = 1252
Mr = 616.84Dx = 1.717 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
a = 12.553 (1) ÅCell parameters from 25 reflections
b = 14.4169 (9) Åθ = 7.5–15°
c = 13.2205 (9) ŵ = 1.20 mm1
β = 94.377 (7)°T = 298 K
V = 2385.5 (3) Å3Block, blue
Z = 40.42 × 0.36 × 0.34 mm
Data collection top
Siemens R3m
diffractometer
2883 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.004
Graphite monochromatorθmax = 25.0°, θmin = 2.2°
ω scansh = 014
Absorption correction: ψ scan
(North et al., 1968)
k = 017
Tmin = 0.596, Tmax = 0.665l = 1515
5775 measured reflections2 standard reflections every 120 reflections
4185 independent reflections intensity decay: none
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)] = 0.061Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.173H-atom parameters constrained
S = 1.03 w = 1/[σ2(Fo2) + (0.0826P)2 + 6.1274P]
where P = (Fo2 + 2Fc2)/3
4187 reflections(Δ/σ)max < 0.001
343 parametersΔρmax = 0.61 e Å3
12 restraintsΔρmin = 0.77 e Å3
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Cu10.65192 (6)0.28804 (5)0.05341 (5)0.0354 (2)
Cl10.3745 (1)0.2847 (1)0.0819 (1)0.0545 (5)
Cl20.9269 (1)0.3141 (1)0.1729 (1)0.0414 (4)
O10.4694 (3)0.2999 (3)0.0172 (3)0.059 (1)
O20.2859 (5)0.3216 (6)0.0384 (6)0.128 (3)
O30.3870 (6)0.3170 (9)0.1773 (5)0.195 (6)
O40.3615 (8)0.1882 (4)0.0906 (8)0.161 (4)
O50.8551 (4)0.2691 (4)0.1112 (4)0.073 (2)
O60.9684 (5)0.3926 (3)0.1192 (5)0.087 (2)
O71.0114 (5)0.2548 (4)0.1901 (5)0.100 (2)
O80.8710 (5)0.3421 (8)0.2629 (5)0.150 (4)
O1W0.353 (1)0.0485 (9)0.077 (1)0.237 (6)
N10.6253 (4)0.2262 (3)0.1882 (3)0.034 (1)
N20.6331 (4)0.4039 (3)0.1398 (3)0.035 (1)
N30.7026 (4)0.3591 (3)0.0719 (3)0.035 (1)
N40.8234 (4)0.6701 (3)0.4719 (3)0.037 (1)
C10.6174 (5)0.2871 (4)0.2655 (4)0.036 (1)
C20.6203 (5)0.1362 (4)0.2097 (5)0.046 (2)
C30.6071 (5)0.1035 (5)0.3084 (6)0.057 (2)
C40.6001 (6)0.1642 (5)0.3869 (5)0.057 (2)
C50.6050 (5)0.2602 (5)0.3676 (5)0.045 (2)
C60.5973 (6)0.3303 (7)0.4448 (5)0.066 (2)
C70.6010 (6)0.4192 (6)0.4196 (5)0.062 (2)
C80.6118 (5)0.4494 (4)0.3160 (5)0.044 (2)
C90.6131 (5)0.5428 (5)0.2833 (6)0.057 (2)
C100.6220 (6)0.5637 (5)0.1839 (6)0.057 (2)
C110.6322 (5)0.4924 (4)0.1137 (5)0.047 (2)
C120.6215 (4)0.3823 (4)0.2398 (4)0.033 (1)
C130.6464 (5)0.3570 (4)0.1532 (4)0.040 (1)
C140.6732 (5)0.4092 (4)0.2372 (4)0.039 (1)
C150.7589 (4)0.4688 (4)0.2402 (4)0.034 (1)
C160.8191 (5)0.4682 (4)0.1563 (4)0.041 (2)
C170.7897 (5)0.4130 (4)0.0754 (5)0.044 (2)
C180.7836 (5)0.5347 (4)0.3250 (4)0.034 (1)
C190.7010 (5)0.5811 (4)0.3667 (4)0.039 (1)
C200.7234 (5)0.6478 (4)0.4381 (4)0.042 (2)
C210.9038 (5)0.6229 (4)0.4329 (5)0.046 (2)
C220.8853 (5)0.5563 (4)0.3614 (5)0.048 (2)
H1W10.37000.09650.03640.050*
H1W20.29910.07600.10740.050*
H20.62600.09360.15670.055*
H30.60270.04010.32080.069*
H40.59230.14260.45330.068*
H60.58980.31320.51280.079*
H70.59640.46360.47080.074*
H90.60790.59030.33100.068*
H100.62150.62520.16250.069*
H110.63840.50740.04510.057*
H130.58690.31860.15280.048*
H140.63300.40470.29320.047*
H160.87950.50550.15540.050*
H170.83180.41270.02050.053*
H190.63040.56690.34600.046*
H200.66690.67910.46450.051*
H210.97400.63630.45590.055*
H220.94260.52500.33660.058*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cu10.0530 (5)0.0264 (4)0.0261 (4)0.0060 (3)0.0008 (3)0.0007 (3)
Cl10.0446 (9)0.065 (1)0.054 (1)0.0032 (8)0.001 (1)0.0036 (9)
Cl20.0442 (9)0.0432 (9)0.0379 (8)0.0048 (7)0.0099 (6)0.0008 (6)
O10.044 (3)0.078 (3)0.054 (3)0.004 (2)0.000 (2)0.000 (3)
O20.056 (4)0.198 (8)0.130 (6)0.026 (4)0.016 (4)0.041 (6)
O30.085 (5)0.39 (2)0.103 (6)0.001 (7)0.013 (4)0.137 (8)
O40.169 (8)0.096 (6)0.20 (1)0.024 (5)0.079 (7)0.040 (6)
O50.074 (4)0.068 (3)0.081 (4)0.021 (3)0.036 (3)0.009 (3)
O60.100 (5)0.050 (3)0.112 (5)0.027 (3)0.024 (4)0.011 (3)
O70.098 (5)0.081 (4)0.127 (6)0.030 (4)0.059 (4)0.008 (4)
O80.094 (5)0.29 (1)0.063 (4)0.021 (6)0.018 (4)0.068 (6)
O1W0.22 (1)0.18 (1)0.32 (2)0.012 (9)0.08 (1)0.02 (1)
N10.041 (3)0.029 (3)0.031 (2)0.006 (2)0.001 (2)0.003 (2)
N20.041 (3)0.030 (3)0.034 (3)0.004 (2)0.002 (2)0.000 (2)
N30.042 (3)0.036 (3)0.027 (2)0.007 (2)0.005 (2)0.003 (2)
N40.051 (3)0.031 (3)0.030 (3)0.001 (2)0.002 (2)0.005 (2)
C10.035 (3)0.042 (3)0.031 (3)0.000 (3)0.005 (2)0.002 (3)
C20.049 (4)0.034 (3)0.054 (4)0.008 (3)0.001 (3)0.009 (3)
C30.060 (5)0.050 (4)0.061 (5)0.012 (3)0.003 (4)0.024 (4)
C40.061 (5)0.072 (5)0.038 (4)0.008 (4)0.002 (3)0.024 (4)
C50.037 (4)0.062 (4)0.037 (3)0.001 (3)0.001 (3)0.006 (3)
C60.073 (5)0.098 (7)0.027 (4)0.008 (5)0.001 (3)0.001 (4)
C70.065 (5)0.086 (6)0.035 (4)0.007 (4)0.002 (3)0.022 (4)
C80.034 (3)0.046 (4)0.050 (4)0.005 (3)0.005 (3)0.017 (3)
C90.059 (4)0.044 (4)0.068 (5)0.007 (3)0.009 (4)0.028 (4)
C100.062 (5)0.032 (4)0.078 (6)0.001 (3)0.006 (4)0.004 (4)
C110.051 (4)0.033 (3)0.058 (4)0.004 (3)0.005 (3)0.002 (3)
C120.026 (3)0.041 (3)0.035 (3)0.000 (2)0.009 (2)0.006 (3)
C130.045 (4)0.046 (4)0.028 (3)0.015 (3)0.003 (3)0.002 (3)
C140.042 (3)0.049 (4)0.026 (3)0.012 (3)0.007 (2)0.006 (3)
C150.035 (3)0.036 (3)0.031 (3)0.001 (3)0.000 (2)0.002 (2)
C160.034 (3)0.047 (4)0.044 (3)0.013 (3)0.008 (3)0.011 (3)
C170.038 (4)0.053 (4)0.042 (4)0.009 (3)0.011 (3)0.008 (3)
C180.042 (3)0.030 (3)0.030 (3)0.004 (3)0.002 (2)0.004 (2)
C190.037 (3)0.042 (3)0.037 (3)0.004 (3)0.004 (3)0.006 (3)
C200.049 (4)0.041 (3)0.038 (3)0.003 (3)0.008 (3)0.008 (3)
C210.039 (4)0.044 (4)0.051 (4)0.007 (3)0.012 (3)0.015 (3)
C220.042 (4)0.048 (4)0.054 (4)0.008 (3)0.004 (3)0.020 (3)
Geometric parameters (Å, º) top
Cu1—N11.998 (4)C8—C91.41 (1)
Cu1—N22.028 (5)C9—C101.35 (1)
Cu1—N32.009 (4)C10—C111.384 (9)
Cu1—N4i2.025 (5)C13—C141.361 (8)
Cu1—O12.382 (4)C14—C151.374 (8)
Cu1—O52.731 (5)C15—C161.389 (8)
Cl1—O31.365 (6)C15—C181.484 (7)
Cl1—O21.395 (5)C16—C171.361 (8)
Cl1—O41.404 (6)C18—C221.366 (8)
Cl1—O11.430 (4)C18—C191.384 (8)
Cl2—O81.393 (5)C19—C201.361 (8)
Cl2—O71.394 (5)C21—C221.355 (8)
Cl2—O61.415 (5)O1W—H1W10.90
Cl2—O51.418 (4)O1W—H1W20.90
N1—C21.329 (7)C2—H20.9300
N1—C11.345 (7)C3—H30.9300
N2—C111.322 (7)C4—H40.9300
N2—C121.355 (7)C6—H60.9300
N3—C131.331 (7)C7—H70.9300
N3—C171.339 (7)C9—H90.9300
N4—C201.339 (8)C10—H100.9301
N4—C211.351 (8)C11—H110.9299
C1—C51.402 (8)C13—H130.9301
C1—C121.415 (8)C14—H140.9299
C2—C31.385 (9)C16—H160.9301
C3—C41.36 (1)C17—H170.9300
C4—C51.41 (1)C19—H190.9299
C5—C61.43 (1)C20—H200.9300
C6—C71.33 (1)C21—H210.9300
C7—C81.43 (1)C22—H220.9300
C8—C121.395 (8)
N1—Cu1—N282.0 (2)C9—C8—C7125.4 (6)
N1—Cu1—N3169.7 (2)C10—C9—C8120.7 (6)
N1—Cu1—N4i96.2 (2)C9—C10—C11119.0 (6)
N1—Cu1—O196.5 (2)N2—C11—C10123.0 (6)
N1—Cu1—O578.6 (2)N2—C12—C8122.8 (5)
N2—Cu1—N393.5 (2)N2—C12—C1117.2 (5)
N2—Cu1—N4i177.0 (2)C8—C12—C1120.0 (5)
N2—Cu1—O188.9 (2)N3—C13—C14122.2 (5)
N2—Cu1—O589.8 (2)C13—C14—C15120.8 (5)
N3—Cu1—N4i87.9 (2)C14—C15—C16116.5 (5)
N3—Cu1—O192.7 (2)C14—C15—C18122.7 (5)
N3—Cu1—O592.2 (2)C16—C15—C18120.8 (5)
N4i—Cu1—O193.7 (2)C17—C16—C15119.9 (5)
N4i—Cu1—O587.5 (2)C22—C18—C19117.2 (5)
O1—Cu1—O5175.1 (2)C22—C18—C15123.3 (5)
O3—Cl1—O2113.6 (6)C19—C18—C15119.4 (5)
O3—Cl1—O4106.5 (7)C20—C19—C18119.8 (6)
O2—Cl1—O4108.7 (6)N3—C17—C16122.6 (5)
O3—Cl1—O1110.5 (4)N4—C20—C19122.6 (6)
O2—Cl1—O1110.4 (4)N4—C21—C22122.0 (6)
O4—Cl1—O1106.7 (4)C21—C22—C18120.9 (6)
O8—Cl2—O7112.2 (5)H1W1—O1W—H1W299
O8—Cl2—O6109.8 (5)N1—C2—H2118.9
O7—Cl2—O6108.5 (4)C3—C2—H2118.8
O8—Cl2—O5108.9 (4)C4—C3—H3120.0
O7—Cl2—O5109.8 (4)C2—C3—H3120.1
O6—Cl2—O5107.6 (3)C3—C4—H4120.3
Cl1—O1—Cu1129.7 (3)C5—C4—H4120.0
Cl2—O5—Cu1139.7 (3)C7—C6—H6119.9
C2—N1—C1118.4 (5)C5—C6—H6119.8
C2—N1—Cu1128.9 (4)C6—C7—H7118.9
C1—N1—Cu1112.6 (4)C8—C7—H7118.9
C11—N2—C12118.3 (5)C10—C9—H9119.6
C11—N2—Cu1130.7 (4)C8—C9—H9119.7
C12—N2—Cu1111.0 (4)C9—C10—H10120.6
C13—N3—C17117.8 (5)C11—C10—H10120.4
C13—N3—Cu1120.1 (4)N2—C11—H11118.5
C17—N3—Cu1122.1 (4)C10—C11—H11118.5
C20—N4—C21117.4 (5)N3—C13—H13118.9
C20—N4—Cu1ii118.7 (4)C14—C13—H13118.8
C21—N4—Cu1ii122.5 (4)C13—C14—H14119.7
N1—C1—C5123.2 (6)C15—C14—H14119.5
N1—C1—C12116.9 (5)C17—C16—H16120.0
C5—C1—C12119.9 (5)C15—C16—H16120.0
N1—C2—C3122.2 (6)N3—C17—H17118.7
C4—C3—C2119.9 (7)C16—C17—H17118.7
C3—C4—C5119.7 (6)C20—C19—H19120.1
C1—C5—C4116.5 (6)C18—C19—H19120.1
C1—C5—C6119.2 (6)N4—C20—H20118.7
C4—C5—C6124.3 (6)C19—C20—H20118.6
C7—C6—C5120.3 (7)N4—C21—H21119.1
C6—C7—C8122.2 (7)C22—C21—H21118.9
C12—C8—C9116.2 (6)C21—C22—H22119.6
C12—C8—C7118.4 (6)C18—C22—H22119.5
O3—Cl1—O1—Cu138.3 (7)N1—C1—C5—C40.6 (9)
O2—Cl1—O1—Cu1164.9 (5)C12—C1—C5—C4179.1 (6)
O4—Cl1—O1—Cu177.1 (6)N1—C1—C5—C6180.0 (6)
N1—Cu1—O1—Cl111.1 (4)C12—C1—C5—C60.3 (9)
N3—Cu1—O1—Cl1164.1 (4)C3—C4—C5—C10 (1)
N4i—Cu1—O1—Cl1107.8 (4)C3—C4—C5—C6179.3 (7)
N2—Cu1—O1—Cl170.7 (4)C1—C5—C6—C71 (1)
O5—Cu1—O1—Cl14 (2)C4—C5—C6—C7178.9 (7)
O8—Cl2—O5—Cu141.6 (7)C5—C6—C7—C81 (1)
O7—Cl2—O5—Cu1164.8 (5)C6—C7—C8—C122 (1)
O6—Cl2—O5—Cu177.3 (6)C6—C7—C8—C9178.0 (7)
N1—Cu1—O5—Cl282.0 (5)C12—C8—C9—C101 (1)
N3—Cu1—O5—Cl293.3 (5)C7—C8—C9—C10179.0 (6)
N4i—Cu1—O5—Cl2178.9 (5)C8—C9—C10—C111 (1)
N2—Cu1—O5—Cl20.1 (5)C12—N2—C11—C101.3 (9)
O1—Cu1—O5—Cl275 (2)Cu1—N2—C11—C10177.5 (5)
N3—Cu1—N1—C2116.6 (11)C9—C10—C11—N21 (1)
N4i—Cu1—N1—C23.6 (5)C11—N2—C12—C81.9 (8)
N2—Cu1—N1—C2178.8 (5)Cu1—N2—C12—C8177.2 (4)
O1—Cu1—N1—C290.9 (5)C11—N2—C12—C1176.9 (5)
O5—Cu1—N1—C289.7 (5)Cu1—N2—C12—C14.0 (6)
N3—Cu1—N1—C159.7 (12)C9—C8—C12—N20.9 (8)
N4i—Cu1—N1—C1172.8 (4)C7—C8—C12—N2179.3 (5)
N2—Cu1—N1—C14.8 (4)C9—C8—C12—C1177.9 (5)
O1—Cu1—N1—C192.8 (4)C7—C8—C12—C11.9 (9)
O5—Cu1—N1—C186.6 (4)N1—C1—C12—N20.0 (8)
N1—Cu1—N2—C11176.3 (6)C5—C1—C12—N2179.7 (5)
N3—Cu1—N2—C1113.0 (6)N1—C1—C12—C8178.8 (5)
N4i—Cu1—N2—C11130 (4)C5—C1—C12—C80.9 (8)
O1—Cu1—N2—C1179.6 (5)C17—N3—C13—C141.7 (9)
O5—Cu1—N2—C11105.2 (6)Cu1—N3—C13—C14175.2 (5)
N1—Cu1—N2—C124.8 (4)N3—C13—C14—C152 (1)
N3—Cu1—N2—C12165.9 (4)C13—C14—C15—C163.8 (9)
N4i—Cu1—N2—C1249 (4)C13—C14—C15—C18172.8 (6)
O1—Cu1—N2—C12101.5 (4)C14—C15—C16—C172.4 (9)
O5—Cu1—N2—C1273.7 (4)C18—C15—C16—C17174.3 (6)
N1—Cu1—N3—C13179.0 (9)C13—N3—C17—C163.2 (9)
N4i—Cu1—N3—C1365.3 (5)Cu1—N3—C17—C16173.6 (5)
N2—Cu1—N3—C13117.4 (5)C15—C16—C17—N31 (1)
O1—Cu1—N3—C1328.3 (5)C14—C15—C18—C22143.4 (7)
O5—Cu1—N3—C13152.7 (5)C16—C15—C18—C2240.1 (9)
N1—Cu1—N3—C174 (1)C14—C15—C18—C1940.3 (8)
N4i—Cu1—N3—C17117.9 (5)C16—C15—C18—C19136.2 (6)
N2—Cu1—N3—C1759.4 (5)C22—C18—C19—C202.6 (9)
O1—Cu1—N3—C17148.5 (5)C15—C18—C19—C20174.0 (5)
O5—Cu1—N3—C1730.5 (5)C21—N4—C20—C190.5 (9)
C2—N1—C1—C50.6 (8)Cu1ii—N4—C20—C19166.6 (5)
Cu1—N1—C1—C5176.2 (5)C18—C19—C20—N41.3 (9)
C2—N1—C1—C12179.1 (5)C20—N4—C21—C220.9 (9)
Cu1—N1—C1—C124.1 (6)Cu1ii—N4—C21—C22165.6 (5)
C1—N1—C2—C30.1 (9)N4—C21—C22—C181 (1)
Cu1—N1—C2—C3176.3 (5)C19—C18—C22—C212 (1)
N1—C2—C3—C41 (1)C15—C18—C22—C21174.2 (6)
C2—C3—C4—C51 (1)
Symmetry codes: (i) x+3/2, y1/2, z+1/2; (ii) x+3/2, y+1/2, z+1/2.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1W—H1W1···O40.902.133.00 (2)159
O1W—H1W2···O8iii0.902.222.64 (2)108
Symmetry code: (iii) x1/2, y+1/2, z+1/2.
 

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.

Buy online

You may purchase this article in PDF and/or HTML formats. For purchasers in the European Community who do not have a VAT number, VAT will be added at the local rate. Payments to the IUCr are handled by WorldPay, who will accept payment by credit card in several currencies. To purchase the article, please complete the form below (fields marked * are required), and then click on `Continue'.
E-mail address* 
Repeat e-mail address* 
(for error checking) 

Format*   PDF (US $40)
   HTML (US $40)
   PDF+HTML (US $50)
In order for VAT to be shown for your country javascript needs to be enabled.

VAT number 
(non-UK EC countries only) 
Country* 
 

Terms and conditions of use
Contact us

Follow Acta Cryst. C
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds