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A new coordination polymer (CP), namely, poly[[di­aqua­tris­[μ2-1,4-bis­(1H-imidazol-1-yl)benzene]bis­[μ6-4-(2,4-di­carboxyl­atophen­oxy)phthalato]tetra­co­balt(II)] hexa­hydrate], {[Co4(C16H6O9)2(C12H10N4)3(H2O)2]·6H2O}n, has been synthesized by solvothermal reaction. The CP was fully characterized by IR spectroscopy, elemental analysis, thermogravimetric analysis, and powder and single-crystal X-ray diffraction. It presents a three-dimensional (3D) structure based on tetra­nuclear CoII secondary building units (SBUs) with a tfz-d net and point symbol (43)2(46·618·84). The 4-(2,4-di­carb­oxy­phen­oxy)phthalic acid (H4dcppa) ligands are com­pletely deprotonated and link {Co4(COO)4}4− SBUs into two-dimensional (2D) layers. Furthermore, adjacent layers are connected by 1,4-bis­(1H-imidazol-1-yl)benzene (bib) ligands, giving rise to a 3D supra­molecular architecture. Inter­estingly, there are numerous elliptical cavities in the CP where isolated unique discrete hexa­meric water clusters have been observed. The results of thermogravimetric and magnetic analyses are described in detail.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S2053229620010633/dg3008sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2053229620010633/dg3008Isup2.hkl
Contains datablock I

pdf

Portable Document Format (PDF) file https://doi.org/10.1107/S2053229620010633/dg3008sup3.pdf
IR spectrum of I

CCDC reference: 2020828

Computing details top

Data collection: APEX2 (Bruker, 2012); cell refinement: SAINT (Bruker, 2012); data reduction: SAINT (Bruker, 2012); program(s) used to solve structure: SHELXT2016 (Sheldrick, 2015a); program(s) used to refine structure: SHELXL2016 (Sheldrick, 2015b); molecular graphics: SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg, 2005); software used to prepare material for publication: pubCIF (Westrip, 2010).

Poly[[diaquatris[µ2-1,4-bis(1H-imidazol-1-yl)benzene]bis[µ6-4-(2,4-dicarboxylatophenoxy)phthalato]tetracobalt(II)] hexahydrate] top
Crystal data top
[Co4(C16H6O9)2(C12H10N4)3(H2O)2]·6H2OZ = 1
Mr = 1694.98F(000) = 866
Triclinic, P1Dx = 1.705 Mg m3
a = 10.660 (2) ÅMo Kα radiation, λ = 0.71073 Å
b = 12.240 (2) ÅCell parameters from 9770 reflections
c = 14.649 (3) Åθ = 3.0–43.1°
α = 109.48 (3)°µ = 1.09 mm1
β = 107.32 (3)°T = 200 K
γ = 98.87 (3)°Block, purple
V = 1650.6 (7) Å30.20 × 0.20 × 0.15 mm
Data collection top
Bruker APEXII CCD
diffractometer
4994 reflections with I > 2σ(I)
φ and ω scansRint = 0.032
Absorption correction: multi-scan
(SADABS; Bruker, 2012)
θmax = 25.5°, θmin = 3.0°
Tmin = 0.670, Tmax = 0.746h = 1212
18817 measured reflectionsk = 1414
6077 independent reflectionsl = 1717
Refinement top
Refinement on F20 restraints
Least-squares matrix: fullHydrogen site location: mixed
R[F2 > 2σ(F2)] = 0.037H-atom parameters constrained
wR(F2) = 0.093 w = 1/[σ2(Fo2) + (0.050P)2 + 1.3022P]
where P = (Fo2 + 2Fc2)/3
S = 1.00(Δ/σ)max = 0.001
6077 reflectionsΔρmax = 0.43 e Å3
496 parametersΔρmin = 0.40 e Å3
Special details top

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Co10.30220 (3)0.91106 (3)0.44303 (2)0.01483 (10)
Co20.03427 (3)0.59524 (3)0.21886 (3)0.01792 (11)
C10.0100 (3)0.5924 (2)0.6859 (2)0.0207 (6)
C20.0542 (3)0.6032 (2)0.58218 (19)0.0172 (5)
C30.0289 (3)0.6830 (2)0.5610 (2)0.0180 (6)
H30.1131470.7355580.6147280.022*
C40.1783 (3)0.5287 (3)0.5047 (2)0.0220 (6)
H40.2356630.4732810.5179610.026*
C50.2191 (3)0.5347 (3)0.4078 (2)0.0218 (6)
H50.3055200.4851320.3554260.026*
C60.0891 (2)0.7730 (2)0.44338 (19)0.0170 (5)
C70.0082 (3)0.6882 (2)0.46237 (19)0.0150 (5)
C80.1338 (2)0.6131 (2)0.38727 (19)0.0157 (5)
C90.3034 (2)0.6320 (2)0.25411 (19)0.0172 (5)
C100.4027 (3)0.5489 (3)0.1625 (2)0.0251 (6)
H100.3831400.4817310.1194230.030*
C110.3300 (3)0.7325 (2)0.31297 (19)0.0187 (6)
H110.2581270.7923580.3737770.022*
C120.5333 (3)0.5647 (3)0.1338 (2)0.0251 (6)
H120.6027100.5076280.0700590.030*
C130.5647 (3)0.6613 (2)0.19548 (19)0.0182 (6)
C140.7146 (3)0.6614 (2)0.16267 (19)0.0202 (6)
C150.4601 (2)0.7481 (2)0.28507 (19)0.0165 (5)
C160.4850 (3)0.8560 (2)0.35692 (19)0.0185 (6)
C170.4719 (3)0.8334 (3)0.6131 (2)0.0265 (6)
H170.4751330.9035410.6681450.032*
C180.4266 (3)0.6993 (3)0.4615 (2)0.0241 (6)
H180.3894000.6556550.3877950.029*
C190.5073 (3)0.6643 (3)0.5305 (2)0.0273 (6)
H190.5391830.5946020.5145640.033*
C200.6024 (3)0.7430 (3)0.7259 (2)0.0243 (6)
C210.5676 (4)0.7971 (4)0.8094 (3)0.0554 (12)
H210.4993680.8386850.8023410.066*
C220.6976 (3)0.6793 (3)0.7356 (2)0.0341 (8)
H220.7194980.6393130.6771090.041*
C230.7618 (3)0.6734 (3)0.8305 (2)0.0342 (8)
H230.8276460.6293610.8369670.041*
C240.6320 (4)0.7911 (4)0.9040 (3)0.0529 (12)
H240.6079070.8288110.9618300.063*
C250.7304 (3)0.7309 (3)0.9149 (2)0.0233 (6)
C260.8743 (3)0.6556 (3)1.0365 (2)0.0243 (6)
H260.8859240.5908130.9848900.029*
C270.8075 (3)0.8106 (3)1.1090 (2)0.0255 (6)
H270.7655120.8744311.1198970.031*
C280.8865 (3)0.7817 (3)1.1830 (2)0.0227 (6)
H280.9094860.8228211.2559080.027*
C290.1245 (4)1.0731 (3)0.3724 (2)0.0369 (8)
H290.1184841.1096890.4386380.044*
C300.1787 (3)0.9647 (3)0.2509 (2)0.0202 (6)
H300.2172540.9093290.2132610.024*
C310.0625 (4)1.0938 (3)0.2873 (2)0.0373 (8)
H310.0054511.1457510.2825880.045*
C320.0493 (3)1.0126 (2)0.1028 (2)0.0200 (6)
C330.0337 (4)1.0785 (4)0.0724 (2)0.0462 (10)
H330.0575861.1341630.1226760.055*
C340.0837 (4)0.9341 (4)0.0304 (2)0.0455 (10)
H340.1421010.8879190.0502050.055*
N10.1971 (2)0.9920 (2)0.34967 (16)0.0201 (5)
N20.0983 (2)1.0248 (2)0.20923 (16)0.0200 (5)
N30.9291 (2)0.6840 (2)1.13778 (17)0.0213 (5)
N40.7996 (2)0.7300 (2)1.01520 (17)0.0222 (5)
N50.5339 (2)0.7490 (2)0.62770 (17)0.0234 (5)
N60.4067 (2)0.8069 (2)0.51355 (17)0.0217 (5)
O10.10754 (18)0.74515 (17)0.35744 (13)0.0202 (4)
O20.1578 (2)0.87173 (18)0.51617 (15)0.0270 (5)
O30.0882 (2)0.6725 (2)0.76095 (15)0.0386 (6)
O40.0777 (2)0.50101 (18)0.68987 (14)0.0238 (4)
O50.17302 (18)0.61484 (18)0.28813 (13)0.0201 (4)
O60.38212 (19)0.92876 (17)0.43352 (15)0.0268 (5)
O70.60595 (18)0.86303 (17)0.33693 (13)0.0206 (4)
O80.78526 (19)0.60515 (19)0.19749 (16)0.0279 (5)
O90.7578 (2)0.7078 (2)0.09995 (15)0.0304 (5)
O100.0748 (2)0.4250 (2)0.10086 (16)0.0428 (6)
H10A0.1295720.3937690.0397550.064*
H10B0.0935450.3813130.1306020.064*
O110.6804 (4)0.0037 (3)0.2479 (3)0.0871 (11)
H11A0.6923030.0549830.2196660.131*
H11B0.7430950.0369220.3225130.131*
O120.6856 (4)0.1270 (4)0.1235 (3)0.1001 (13)
H12A0.6441160.1242020.0650320.150*
H12B0.7435910.1936940.1575520.150*
O130.4309 (4)0.8697 (4)0.0737 (4)0.1225 (17)
H13A0.3784250.8167110.0799030.184*
H13B0.4837450.9147830.1335830.184*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Co10.01526 (18)0.01582 (19)0.01129 (17)0.00376 (14)0.00155 (13)0.00624 (14)
Co20.01805 (19)0.0214 (2)0.01406 (18)0.00587 (15)0.00301 (14)0.00941 (16)
C10.0289 (14)0.0214 (15)0.0209 (14)0.0143 (12)0.0144 (12)0.0115 (12)
C20.0240 (13)0.0185 (13)0.0167 (12)0.0128 (11)0.0112 (11)0.0099 (11)
C30.0192 (13)0.0191 (14)0.0162 (12)0.0070 (11)0.0059 (10)0.0077 (11)
C40.0225 (14)0.0250 (15)0.0267 (14)0.0075 (12)0.0143 (12)0.0151 (13)
C50.0161 (13)0.0281 (15)0.0213 (14)0.0042 (11)0.0055 (11)0.0123 (12)
C60.0149 (12)0.0217 (14)0.0185 (13)0.0087 (11)0.0057 (10)0.0121 (12)
C70.0188 (12)0.0158 (13)0.0150 (12)0.0083 (10)0.0093 (10)0.0076 (11)
C80.0162 (12)0.0216 (14)0.0155 (12)0.0108 (11)0.0076 (10)0.0111 (11)
C90.0115 (12)0.0275 (15)0.0164 (12)0.0060 (11)0.0048 (10)0.0136 (12)
C100.0212 (14)0.0264 (15)0.0223 (14)0.0080 (12)0.0059 (12)0.0048 (13)
C110.0150 (12)0.0227 (15)0.0117 (12)0.0010 (11)0.0001 (10)0.0055 (11)
C120.0184 (13)0.0274 (16)0.0168 (13)0.0039 (12)0.0006 (11)0.0003 (12)
C130.0160 (12)0.0242 (14)0.0144 (12)0.0056 (11)0.0045 (10)0.0090 (11)
C140.0191 (13)0.0210 (14)0.0107 (12)0.0036 (11)0.0005 (10)0.0001 (11)
C150.0152 (12)0.0182 (13)0.0152 (12)0.0042 (10)0.0037 (10)0.0079 (11)
C160.0226 (14)0.0202 (14)0.0139 (12)0.0058 (11)0.0051 (11)0.0099 (11)
C170.0324 (16)0.0293 (16)0.0210 (14)0.0167 (13)0.0079 (12)0.0123 (13)
C180.0311 (15)0.0219 (15)0.0176 (13)0.0046 (12)0.0057 (12)0.0099 (12)
C190.0383 (17)0.0197 (15)0.0226 (14)0.0106 (13)0.0079 (13)0.0090 (12)
C200.0277 (15)0.0301 (16)0.0179 (13)0.0144 (13)0.0046 (12)0.0136 (12)
C210.072 (3)0.089 (3)0.0318 (18)0.069 (3)0.0224 (18)0.034 (2)
C220.0457 (19)0.046 (2)0.0185 (14)0.0296 (16)0.0118 (13)0.0153 (14)
C230.0431 (18)0.045 (2)0.0242 (15)0.0324 (16)0.0117 (14)0.0177 (15)
C240.069 (3)0.090 (3)0.0248 (17)0.062 (2)0.0250 (17)0.0283 (19)
C250.0233 (14)0.0298 (16)0.0193 (14)0.0115 (12)0.0033 (11)0.0152 (13)
C260.0273 (15)0.0293 (16)0.0192 (13)0.0140 (12)0.0066 (12)0.0124 (12)
C270.0332 (16)0.0267 (16)0.0202 (14)0.0145 (13)0.0097 (12)0.0110 (13)
C280.0260 (14)0.0257 (15)0.0173 (13)0.0074 (12)0.0083 (11)0.0096 (12)
C290.055 (2)0.042 (2)0.0154 (14)0.0297 (17)0.0094 (14)0.0093 (14)
C300.0214 (13)0.0249 (15)0.0174 (13)0.0119 (11)0.0050 (11)0.0117 (12)
C310.056 (2)0.0404 (19)0.0227 (15)0.0377 (17)0.0131 (15)0.0125 (14)
C320.0212 (13)0.0208 (14)0.0161 (12)0.0073 (11)0.0019 (10)0.0090 (11)
C330.070 (2)0.063 (3)0.0202 (15)0.052 (2)0.0181 (16)0.0194 (17)
C340.067 (2)0.065 (2)0.0241 (16)0.055 (2)0.0167 (16)0.0259 (17)
N10.0229 (11)0.0214 (12)0.0148 (11)0.0079 (10)0.0038 (9)0.0078 (10)
N20.0261 (12)0.0208 (12)0.0155 (11)0.0113 (10)0.0053 (9)0.0103 (10)
N30.0213 (11)0.0267 (13)0.0176 (11)0.0080 (10)0.0050 (9)0.0125 (10)
N40.0249 (12)0.0275 (13)0.0167 (11)0.0124 (10)0.0052 (9)0.0121 (10)
N50.0281 (12)0.0265 (13)0.0184 (11)0.0142 (10)0.0048 (10)0.0130 (10)
N60.0236 (12)0.0260 (13)0.0195 (11)0.0105 (10)0.0053 (9)0.0149 (10)
O10.0231 (9)0.0215 (10)0.0165 (9)0.0045 (8)0.0074 (8)0.0091 (8)
O20.0305 (11)0.0228 (11)0.0220 (10)0.0001 (9)0.0109 (9)0.0046 (9)
O30.0521 (14)0.0335 (13)0.0184 (10)0.0036 (11)0.0030 (10)0.0122 (10)
O40.0312 (10)0.0263 (11)0.0204 (10)0.0101 (9)0.0102 (8)0.0159 (9)
O50.0165 (9)0.0336 (11)0.0163 (9)0.0115 (8)0.0071 (7)0.0145 (8)
O60.0233 (10)0.0207 (10)0.0221 (10)0.0016 (8)0.0024 (8)0.0009 (9)
O70.0207 (9)0.0281 (11)0.0151 (9)0.0136 (8)0.0057 (7)0.0091 (8)
O80.0195 (10)0.0319 (12)0.0377 (12)0.0088 (9)0.0138 (9)0.0169 (10)
O90.0234 (10)0.0449 (13)0.0205 (10)0.0104 (9)0.0009 (8)0.0164 (10)
O100.0588 (15)0.0302 (13)0.0197 (11)0.0052 (11)0.0030 (10)0.0099 (10)
O110.112 (3)0.078 (2)0.067 (2)0.032 (2)0.041 (2)0.0160 (19)
O120.069 (2)0.109 (3)0.115 (3)0.000 (2)0.037 (2)0.044 (3)
O130.086 (3)0.142 (4)0.144 (4)0.005 (3)0.021 (3)0.100 (3)
Geometric parameters (Å, º) top
Co1—O6i2.011 (2)C18—N61.369 (4)
Co1—O7ii2.0479 (19)C18—H180.9500
Co1—N12.107 (2)C19—N51.366 (4)
Co1—N62.137 (2)C19—H190.9500
Co1—O22.202 (2)C20—C211.370 (4)
Co1—O12.336 (2)C20—C221.374 (4)
Co2—O8ii2.031 (2)C20—N51.439 (3)
Co2—O12.056 (2)C21—C241.384 (4)
Co2—O4iii2.059 (2)C21—H210.9500
Co2—N3iv2.072 (2)C22—C231.387 (4)
Co2—O102.082 (2)C22—H220.9500
C1—O31.243 (4)C23—C251.370 (4)
C1—O41.263 (3)C23—H230.9500
C1—C21.508 (4)C24—C251.372 (4)
C2—C41.383 (4)C24—H240.9500
C2—C31.391 (4)C25—N41.439 (3)
C3—C71.406 (4)C26—N31.319 (3)
C3—H30.9500C26—N41.351 (4)
C4—C51.387 (4)C26—H260.9500
C4—H40.9500C27—C281.346 (4)
C5—C81.387 (4)C27—N41.368 (4)
C5—H50.9500C27—H270.9500
C6—O21.239 (3)C28—N31.376 (4)
C6—O11.274 (3)C28—H280.9500
C6—C71.504 (4)C29—C311.352 (4)
C7—C81.385 (4)C29—N11.366 (4)
C8—O51.395 (3)C29—H290.9500
C9—C101.366 (4)C30—N11.317 (3)
C9—C111.372 (4)C30—N21.354 (3)
C9—O51.404 (3)C30—H300.9500
C10—C121.393 (4)C31—N21.372 (4)
C10—H100.9500C31—H310.9500
C11—C151.387 (3)C32—C341.357 (4)
C11—H110.9500C32—C331.363 (4)
C12—C131.384 (4)C32—N21.436 (3)
C12—H120.9500C33—C34v1.384 (4)
C13—C151.389 (4)C33—H330.9500
C13—C141.526 (4)C34—H340.9500
C14—O91.247 (3)O10—H10A0.8245
C14—O81.267 (3)O10—H10B0.8305
C15—C161.507 (4)O11—H11A0.8725
C16—O61.247 (3)O11—H11B0.9956
C16—O71.258 (3)O12—H12A0.8251
C17—N61.313 (3)O12—H12B0.8284
C17—N51.350 (4)O13—H13A0.8362
C17—H170.9500O13—H13B0.8241
C18—C191.352 (4)
O6i—Co1—O7ii120.83 (9)C18—C19—H19126.7
O6i—Co1—N190.41 (9)N5—C19—H19126.7
O7ii—Co1—N185.73 (8)C21—C20—C22119.8 (3)
O6i—Co1—N698.31 (9)C21—C20—N5119.3 (3)
O7ii—Co1—N686.28 (8)C22—C20—N5120.8 (3)
N1—Co1—N6170.37 (8)C20—C21—C24119.8 (3)
O6i—Co1—O285.36 (8)C20—C21—H21120.1
O7ii—Co1—O2153.09 (8)C24—C21—H21120.1
N1—Co1—O2101.30 (9)C20—C22—C23120.2 (3)
N6—Co1—O283.58 (9)C20—C22—H22119.9
O6i—Co1—O1140.87 (8)C23—C22—H22119.9
O7ii—Co1—O197.98 (8)C25—C23—C22120.0 (3)
N1—Co1—O187.46 (8)C25—C23—H23120.0
N6—Co1—O188.34 (8)C22—C23—H23120.0
O2—Co1—O156.95 (7)C25—C24—C21120.5 (3)
O8ii—Co2—O196.18 (9)C25—C24—H24119.7
O8ii—Co2—O4iii93.14 (8)C21—C24—H24119.7
O1—Co2—O4iii85.75 (8)C23—C25—C24119.6 (3)
O8ii—Co2—N3iv106.81 (9)C23—C25—N4121.0 (2)
O1—Co2—N3iv92.18 (9)C24—C25—N4119.4 (3)
O4iii—Co2—N3iv160.04 (9)N3—C26—N4111.7 (2)
O8ii—Co2—O1097.82 (10)N3—C26—H26124.1
O1—Co2—O10162.70 (9)N4—C26—H26124.1
O4iii—Co2—O1083.39 (9)C28—C27—N4106.4 (2)
N3iv—Co2—O1093.45 (10)C28—C27—H27126.8
O3—C1—O4124.5 (3)N4—C27—H27126.8
O3—C1—C2119.0 (3)C27—C28—N3110.3 (2)
O4—C1—C2116.5 (2)C27—C28—H28124.8
C4—C2—C3119.1 (2)N3—C28—H28124.8
C4—C2—C1119.2 (2)C31—C29—N1110.4 (3)
C3—C2—C1121.7 (2)C31—C29—H29124.8
C2—C3—C7121.9 (2)N1—C29—H29124.8
C2—C3—H3119.1N1—C30—N2111.9 (2)
C7—C3—H3119.1N1—C30—H30124.0
C2—C4—C5120.2 (3)N2—C30—H30124.0
C2—C4—H4119.9C29—C31—N2106.3 (3)
C5—C4—H4119.9C29—C31—H31126.9
C4—C5—C8120.1 (3)N2—C31—H31126.9
C4—C5—H5120.0C34—C32—C33118.8 (3)
C8—C5—H5120.0C34—C32—N2120.6 (3)
O2—C6—O1119.1 (2)C33—C32—N2120.6 (2)
O2—C6—C7118.2 (2)C32—C33—C34v121.2 (3)
O1—C6—C7122.6 (2)C32—C33—H33119.4
C8—C7—C3117.3 (2)C34v—C33—H33119.4
C8—C7—C6123.5 (2)C32—C34—C33v120.0 (3)
C3—C7—C6119.2 (2)C32—C34—H34120.0
C7—C8—C5121.5 (2)C33v—C34—H34120.0
C7—C8—O5118.8 (2)C30—N1—C29105.1 (2)
C5—C8—O5119.7 (2)C30—N1—Co1125.32 (18)
C10—C9—C11120.5 (2)C29—N1—Co1129.30 (19)
C10—C9—O5119.8 (2)C30—N2—C31106.2 (2)
C11—C9—O5119.7 (2)C30—N2—C32127.6 (2)
C9—C10—C12118.5 (3)C31—N2—C32125.9 (2)
C9—C10—H10120.8C26—N3—C28104.9 (2)
C12—C10—H10120.8C26—N3—Co2vi130.5 (2)
C9—C11—C15121.0 (2)C28—N3—Co2vi124.12 (17)
C9—C11—H11119.5C26—N4—C27106.7 (2)
C15—C11—H11119.5C26—N4—C25127.8 (2)
C13—C12—C10121.9 (2)C27—N4—C25125.4 (2)
C13—C12—H12119.0C17—N5—C19106.4 (2)
C10—C12—H12119.0C17—N5—C20126.8 (2)
C12—C13—C15118.3 (2)C19—N5—C20126.6 (2)
C12—C13—C14117.2 (2)C17—N6—C18105.2 (2)
C15—C13—C14124.4 (2)C17—N6—Co1128.8 (2)
O9—C14—O8126.5 (3)C18—N6—Co1125.84 (18)
O9—C14—C13118.5 (2)C6—O1—Co2135.50 (18)
O8—C14—C13114.8 (2)C6—O1—Co187.77 (15)
C11—C15—C13119.5 (2)Co2—O1—Co1134.61 (9)
C11—C15—C16118.4 (2)C6—O2—Co194.86 (16)
C13—C15—C16122.0 (2)C1—O4—Co2iii134.14 (18)
O6—C16—O7126.0 (2)C8—O5—C9113.13 (19)
O6—C16—C15115.8 (2)C16—O6—Co1i147.55 (19)
O7—C16—C15118.1 (2)C16—O7—Co1vii125.94 (16)
N6—C17—N5111.9 (3)C14—O8—Co2vii138.55 (19)
N6—C17—H17124.0Co2—O10—H10A139.9
N5—C17—H17124.0Co2—O10—H10B106.0
C19—C18—N6109.9 (2)H10A—O10—H10B107.9
C19—C18—H18125.1H11A—O11—H11B111.4
N6—C18—H18125.1H12A—O12—H12B107.7
C18—C19—N5106.5 (3)H13A—O13—H13B105.6
O3—C1—C2—C4167.3 (3)C33—C32—C34—C33v0.6 (7)
O4—C1—C2—C412.3 (4)N2—C32—C34—C33v178.8 (3)
O3—C1—C2—C315.1 (4)N2—C30—N1—C290.3 (3)
O4—C1—C2—C3165.3 (2)N2—C30—N1—Co1175.15 (17)
C4—C2—C3—C71.5 (4)C31—C29—N1—C300.2 (4)
C1—C2—C3—C7176.1 (2)C31—C29—N1—Co1174.3 (2)
C3—C2—C4—C50.5 (4)N1—C30—N2—C310.7 (3)
C1—C2—C4—C5178.2 (2)N1—C30—N2—C32175.8 (3)
C2—C4—C5—C81.8 (4)C29—C31—N2—C300.8 (4)
C2—C3—C7—C82.2 (4)C29—C31—N2—C32176.0 (3)
C2—C3—C7—C6177.5 (2)C34—C32—N2—C300.6 (5)
O2—C6—C7—C8144.6 (3)C33—C32—N2—C30178.7 (3)
O1—C6—C7—C838.5 (4)C34—C32—N2—C31174.8 (3)
O2—C6—C7—C335.7 (3)C33—C32—N2—C314.6 (5)
O1—C6—C7—C3141.1 (3)N4—C26—N3—C280.1 (3)
C3—C7—C8—C50.8 (4)N4—C26—N3—Co2vi172.18 (19)
C6—C7—C8—C5178.8 (2)C27—C28—N3—C260.1 (3)
C3—C7—C8—O5179.2 (2)C27—C28—N3—Co2vi172.8 (2)
C6—C7—C8—O50.5 (4)N3—C26—N4—C270.1 (3)
C4—C5—C8—C71.1 (4)N3—C26—N4—C25176.7 (3)
C4—C5—C8—O5177.2 (2)C28—C27—N4—C260.0 (3)
C11—C9—C10—C123.9 (4)C28—C27—N4—C25176.9 (3)
O5—C9—C10—C12176.4 (3)C23—C25—N4—C2616.8 (5)
C10—C9—C11—C154.5 (4)C24—C25—N4—C26163.6 (3)
O5—C9—C11—C15175.7 (2)C23—C25—N4—C27159.5 (3)
C9—C10—C12—C130.4 (5)C24—C25—N4—C2720.2 (5)
C10—C12—C13—C154.0 (4)N6—C17—N5—C190.9 (4)
C10—C12—C13—C14173.0 (3)N6—C17—N5—C20173.4 (3)
C12—C13—C14—O988.1 (3)C18—C19—N5—C171.9 (3)
C15—C13—C14—O995.1 (3)C18—C19—N5—C20172.3 (3)
C12—C13—C14—O886.9 (3)C21—C20—N5—C1724.2 (5)
C15—C13—C14—O889.9 (3)C22—C20—N5—C17158.7 (3)
C9—C11—C15—C130.8 (4)C21—C20—N5—C19149.0 (4)
C9—C11—C15—C16175.8 (2)C22—C20—N5—C1928.2 (5)
C12—C13—C15—C113.4 (4)N5—C17—N6—C180.6 (3)
C14—C13—C15—C11173.4 (3)N5—C17—N6—Co1175.52 (19)
C12—C13—C15—C16179.9 (3)C19—C18—N6—C171.8 (3)
C14—C13—C15—C163.1 (4)C19—C18—N6—Co1174.4 (2)
C11—C15—C16—O65.0 (4)O2—C6—O1—Co2175.42 (18)
C13—C15—C16—O6178.5 (2)C7—C6—O1—Co21.4 (4)
C11—C15—C16—O7172.7 (2)O2—C6—O1—Co111.0 (2)
C13—C15—C16—O73.8 (4)C7—C6—O1—Co1165.8 (2)
N6—C18—C19—N52.4 (3)O1—C6—O2—Co111.7 (3)
C22—C20—C21—C242.3 (6)C7—C6—O2—Co1165.20 (19)
N5—C20—C21—C24179.5 (4)O3—C1—O4—Co2iii26.4 (4)
C21—C20—C22—C232.2 (6)C2—C1—O4—Co2iii154.07 (18)
N5—C20—C22—C23179.4 (3)C7—C8—O5—C9128.1 (2)
C20—C22—C23—C250.0 (5)C5—C8—O5—C953.6 (3)
C20—C21—C24—C250.2 (7)C10—C9—O5—C8122.9 (3)
C22—C23—C25—C242.1 (5)C11—C9—O5—C857.3 (3)
C22—C23—C25—N4177.5 (3)O7—C16—O6—Co1i9.6 (6)
C21—C24—C25—C232.0 (6)C15—C16—O6—Co1i172.8 (2)
C21—C24—C25—N4177.6 (4)O6—C16—O7—Co1vii41.7 (4)
N4—C27—C28—N30.0 (3)C15—C16—O7—Co1vii135.8 (2)
N1—C29—C31—N20.7 (4)O9—C14—O8—Co2vii23.3 (4)
C34—C32—C33—C34v0.6 (7)C13—C14—O8—Co2vii162.15 (19)
N2—C32—C33—C34v178.8 (3)
Symmetry codes: (i) x, y+2, z+1; (ii) x+1, y, z; (iii) x, y+1, z+1; (iv) x1, y, z1; (v) x, y+2, z; (vi) x+1, y, z+1; (vii) x1, y, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C17—H17···O11viii0.952.533.319 (4)140
C18—H18···O8ii0.952.653.523 (4)153
C21—H21···O12viii0.952.543.294 (5)136
C27—H27···O11ix0.952.513.314 (4)142
C30—H30···O9ii0.952.583.485 (4)160
C33—H33···O3i0.952.553.466 (4)163
O10—H10A···O9x0.821.892.696 (3)168
O10—H10B···O3iii0.831.902.697 (3)160
O11—H11A···O120.871.892.733 (6)164
O11—H11B···O2viii1.002.083.061 (4)167
O12—H12A···O13xi0.831.982.801 (6)172
O12—H12B···O3viii0.831.962.771 (4)166
O13—H13A···O9ii0.841.972.804 (4)173
O13—H13B···O11xii0.822.092.846 (6)152
Symmetry codes: (i) x, y+2, z+1; (ii) x+1, y, z; (iii) x, y+1, z+1; (viii) x+1, y+1, z+1; (ix) x, y+1, z+1; (x) x1, y+1, z; (xi) x+1, y+1, z; (xii) x, y+1, z.
 

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