Bis(μ-3-carboxyl­atophenoxy­acetato)bis­[aqua­bis(1H-benzimidazole)cadmium(II)] dihydrate

In the title complex, [Cd₂(C₉H₆O₅)₂(C₇H₆N₂)₄(H₂O)₂]·2H₂O, the Cd^II atoms are linked by two 3-carboxy­phenoxy­acetate groups into a centrosymmetric dimer. Each Cd^II atom displays a distorted octa­hedral coordination geometry, with three carboxylate O atoms from different 3-carboxy­phenoxy­acetate groups, two N atoms from two benzimidazole co-ligands and one water mol­ecule. Inter­molecular hydrogen bonding leads to a two-dimensional supramolecular network.

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean [sigma](C-C) = 0.007 Å
• H-atom completeness 91%
• R factor = 0.046
• wR factor = 0.105
• Data-to-parameter ratio = 16.4

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT306_ALERT_2_A Isolated Oxygen Atom (H-atoms Missing ?) .......        O2W

Author Response: ...The H atoms of O2w water were not added.

Alert level B
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Cd1    -   O5_a    ..      13.66 su
PLAT430_ALERT_2_B Short Inter D...A Contact  O2W    ..  O5      ..       2.68 Ang.

Author Response: ...Because there is the intermolecular H-bonding between O2w and O5 (symmetry code: x, -y+3/2, z+1/2).

Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...          ?
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Cd1    -   O4_a    ..       9.20 su
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          2

Alert level G
FORMU01_ALERT_2_G  There is a discrepancy between the atom counts in the
            _chemical_formula_sum and the formula from the _atom_site* data.
            Atom count from _chemical_formula_sum:C46 H44 Cd2 N8 O14
            Atom count from the _atom_site data:  C46 H40 Cd2 N8 O14
CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected.
CELLZ01_ALERT_1_G WARNING: H atoms missing from atom site list. Is this intentional?
           From the CIF: _cell_formula_units_Z    2
           From the CIF: _chemical_formula_sum  C46 H44 Cd2 N8 O14
           TEST: Compare cell contents of formula and atom_site data

           atom    Z*formula  cif sites diff
           C         92.00     92.00    0.00
           H         88.00     80.00    8.00
           Cd         4.00      4.00    0.00
           N         16.00     16.00    0.00
           O         28.00     28.00    0.00

   1 ALERT level A = In general: serious problem
   2 ALERT level B = Potentially serious problem
   5 ALERT level C = Check and explain
   3 ALERT level G = General alerts; check

   5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   5 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion

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Computing details

Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002); 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.

Bis(µ-3-carboxylatophenoxyacetato)bis[aquabis(1H-benzimidazole)dicadmium(II)] dihydrate

Crystal data

[Cd2(C9H6O5)2(C7H6N2)4(H2O)2]·2H2O	F(000) = 1168
Mr = 1157.69	Dx = 1.626 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 18370 reflections
a = 15.744 (3) Å	θ = 3.0–27.4°
b = 10.956 (2) Å	µ = 0.98 mm^−1
c = 15.094 (3) Å	T = 295 K
β = 114.74 (3)°	Prism, colorless
V = 2364.6 (10) Å^3	0.32 × 0.27 × 0.18 mm
Z = 2

Data collection

Rigaku R-AXIS RAPID diffractometer	5290 independent reflections
Radiation source: fine-focus sealed tube	4113 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.056
Detector resolution: 10 pixels mm^-1	θmax = 27.5°, θmin = 3.0°
ω scans	h = −20→20
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	k = −14→14
Tmin = 0.745, Tmax = 0.844	l = −19→18
22000 measured reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.046	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.105	H atoms treated by a mixture of independent and constrained refinement
S = 1.04	w = 1/[σ^2(Fo^2) + (0.0505P)^2 + 1.9238P] where P = (Fo^2 + 2Fc^2)/3
5290 reflections	(Δ/σ)max = 0.001
322 parameters	Δρmax = 0.75 e Å^−3
3 restraints	Δρmin = −0.70 e Å^−3

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Cd1	0.105720 (18)	0.21237 (3)	0.706680 (18)	0.04047 (10)
N1	0.2000 (2)	0.1975 (3)	0.8712 (2)	0.0414 (7)
N2	0.2285 (3)	0.1719 (3)	1.0281 (2)	0.0483 (8)
N3	0.1596 (2)	0.0908 (3)	0.6206 (2)	0.0431 (7)
N4	0.1747 (2)	0.0135 (3)	0.4912 (2)	0.0461 (8)
O1	0.19262 (19)	0.3813 (3)	0.69280 (18)	0.0462 (6)
O2	0.1447 (2)	0.4824 (3)	0.7907 (2)	0.0634 (9)
O3	0.32820 (19)	0.5558 (3)	0.7183 (2)	0.0595 (8)
O4	0.0223 (2)	0.7310 (3)	0.4541 (3)	0.0676 (9)
O5	0.0421 (2)	0.7197 (3)	0.3187 (2)	0.0722 (9)
O1W	0.0340 (2)	0.0263 (3)	0.7284 (3)	0.0701 (9)
O2W	0.0812 (8)	0.8014 (10)	0.6626 (8)	0.234 (4)
C1	0.1671 (3)	0.1577 (4)	0.9336 (3)	0.0472 (9)
C2	0.3085 (3)	0.2235 (3)	1.0299 (3)	0.0426 (9)
C3	0.3925 (3)	0.2578 (4)	1.1070 (3)	0.0590 (12)
C4	0.4581 (4)	0.3084 (5)	1.0828 (4)	0.0699 (14)
C5	0.4425 (3)	0.3245 (5)	0.9837 (4)	0.0689 (14)
C6	0.3590 (3)	0.2907 (4)	0.9072 (3)	0.0529 (10)
C7	0.2900 (3)	0.2403 (3)	0.9303 (3)	0.0387 (8)
C8	0.1215 (3)	0.0782 (4)	0.5236 (3)	0.0466 (9)
C9	0.2447 (3)	0.0279 (3)	0.6537 (3)	0.0388 (8)
C10	0.3139 (3)	0.0088 (4)	0.7488 (3)	0.0490 (9)
C11	0.3919 (3)	−0.0566 (4)	0.7593 (3)	0.0575 (11)
C12	0.4012 (3)	−0.1026 (4)	0.6773 (4)	0.0621 (12)
C13	0.3343 (3)	−0.0848 (4)	0.5833 (3)	0.0529 (10)
C14	0.2551 (3)	−0.0206 (3)	0.5720 (3)	0.0405 (8)
C15	0.1957 (3)	0.4701 (4)	0.7471 (2)	0.0419 (8)
C16	0.2700 (3)	0.5682 (4)	0.7678 (3)	0.0558 (11)
C17	0.2933 (2)	0.5932 (4)	0.6219 (3)	0.0431 (9)
C18	0.3555 (3)	0.5877 (4)	0.5793 (3)	0.0516 (10)
C19	0.3255 (3)	0.6174 (4)	0.4814 (3)	0.0551 (10)
C20	0.2337 (3)	0.6555 (4)	0.4250 (3)	0.0503 (10)
C21	0.1723 (3)	0.6651 (3)	0.4685 (3)	0.0425 (8)
C22	0.2017 (3)	0.6343 (4)	0.5672 (3)	0.0423 (8)
C23	0.0717 (3)	0.7092 (4)	0.4108 (3)	0.0511 (10)
H1W1	0.055 (3)	−0.046 (2)	0.741 (5)	0.105*
H1W2	−0.017 (2)	0.031 (5)	0.735 (4)	0.105*
H1	0.1080	0.1236	0.9145	0.057*
H3	0.4027	0.2462	1.1717	0.071*
H4	0.5146	0.3333	1.1320	0.084*
H5	0.4896	0.3586	0.9697	0.083*
H6	0.3497	0.3015	0.8427	0.063*
H8	0.0639	0.1111	0.4828	0.056*
H10	0.3070	0.0396	0.8028	0.059*
H11	0.4388	−0.0704	0.8212	0.069*
H12	0.4546	−0.1470	0.6865	0.074*
H13	0.3423	−0.1150	0.5298	0.063*
H16A	0.2389	0.6468	0.7509	0.067*
H16B	0.3092	0.5689	0.8373	0.067*
H18	0.4171	0.5642	0.6160	0.062*
H19	0.3674	0.6119	0.4527	0.066*
H20	0.2144	0.6740	0.3593	0.060*
H22	0.1603	0.6412	0.5964	0.051*
H24	0.2189	0.1520	1.0783	0.058*
H25	0.1616	−0.0039	0.4314	0.055*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cd1	0.03569 (15)	0.05383 (18)	0.03271 (14)	0.00546 (13)	0.01513 (11)	0.00486 (13)
N1	0.0469 (18)	0.0475 (18)	0.0319 (15)	0.0006 (14)	0.0185 (14)	0.0028 (13)
N2	0.068 (2)	0.0499 (18)	0.0355 (16)	0.0119 (17)	0.0298 (16)	0.0087 (14)
N3	0.0437 (17)	0.0504 (19)	0.0373 (16)	0.0067 (15)	0.0192 (14)	0.0052 (14)
N4	0.0529 (19)	0.0534 (19)	0.0354 (16)	−0.0044 (16)	0.0219 (15)	−0.0068 (15)
O1	0.0552 (16)	0.0532 (16)	0.0352 (13)	−0.0028 (13)	0.0238 (12)	−0.0015 (12)
O2	0.0573 (18)	0.096 (2)	0.0451 (15)	0.0158 (17)	0.0296 (14)	0.0036 (16)
O3	0.0372 (15)	0.083 (2)	0.0497 (16)	−0.0030 (15)	0.0095 (13)	0.0147 (16)
O4	0.0390 (16)	0.086 (2)	0.070 (2)	0.0172 (16)	0.0155 (15)	0.0076 (18)
O5	0.0559 (19)	0.086 (2)	0.057 (2)	0.0127 (18)	0.0070 (16)	0.0091 (18)
O1W	0.0545 (19)	0.063 (2)	0.098 (3)	−0.0029 (16)	0.0364 (19)	0.011 (2)
O2W	0.258 (11)	0.257 (11)	0.210 (9)	0.058 (8)	0.122 (8)	−0.002 (7)
C1	0.057 (2)	0.046 (2)	0.044 (2)	−0.0021 (19)	0.0261 (19)	0.0025 (18)
C2	0.053 (2)	0.039 (2)	0.0358 (18)	0.0142 (18)	0.0179 (17)	0.0016 (16)
C3	0.061 (3)	0.061 (3)	0.038 (2)	0.017 (2)	0.004 (2)	0.0011 (19)
C4	0.053 (3)	0.075 (3)	0.057 (3)	0.004 (2)	−0.002 (2)	−0.007 (2)
C5	0.038 (2)	0.078 (3)	0.082 (3)	0.001 (2)	0.017 (2)	0.009 (3)
C6	0.046 (2)	0.065 (3)	0.048 (2)	0.006 (2)	0.0201 (18)	0.013 (2)
C7	0.043 (2)	0.0403 (19)	0.0334 (18)	0.0061 (15)	0.0159 (16)	0.0023 (15)
C8	0.045 (2)	0.054 (2)	0.040 (2)	0.0005 (18)	0.0164 (17)	0.0035 (18)
C9	0.0408 (19)	0.0409 (19)	0.0373 (18)	−0.0002 (16)	0.0189 (15)	0.0021 (15)
C10	0.052 (2)	0.057 (2)	0.0374 (19)	0.0044 (19)	0.0182 (18)	0.0013 (18)
C11	0.046 (2)	0.064 (3)	0.054 (2)	0.007 (2)	0.013 (2)	0.003 (2)
C12	0.052 (3)	0.062 (3)	0.071 (3)	0.012 (2)	0.024 (2)	−0.004 (2)
C13	0.058 (3)	0.052 (2)	0.058 (3)	0.003 (2)	0.035 (2)	−0.008 (2)
C14	0.045 (2)	0.0381 (19)	0.0413 (19)	−0.0065 (16)	0.0205 (17)	−0.0019 (16)
C15	0.0374 (19)	0.056 (2)	0.0294 (17)	0.0083 (17)	0.0108 (15)	0.0048 (17)
C16	0.062 (3)	0.061 (3)	0.035 (2)	−0.006 (2)	0.0110 (19)	−0.0059 (19)
C17	0.0329 (18)	0.045 (2)	0.043 (2)	−0.0037 (16)	0.0073 (16)	0.0037 (17)
C18	0.0296 (18)	0.053 (2)	0.068 (3)	0.0018 (17)	0.0164 (18)	0.001 (2)
C19	0.048 (2)	0.057 (3)	0.069 (3)	−0.002 (2)	0.033 (2)	−0.005 (2)
C20	0.055 (2)	0.049 (2)	0.044 (2)	−0.002 (2)	0.0183 (19)	0.0036 (19)
C21	0.0372 (19)	0.0365 (18)	0.047 (2)	0.0016 (16)	0.0108 (16)	−0.0001 (17)
C22	0.0335 (18)	0.043 (2)	0.048 (2)	−0.0033 (16)	0.0146 (16)	−0.0014 (17)
C23	0.045 (2)	0.041 (2)	0.050 (2)	0.0038 (19)	0.0038 (19)	0.0049 (19)

Geometric parameters (Å, º)

Cd1—N1	2.304 (3)	C4—C5	1.422 (7)
Cd1—N3	2.260 (3)	C4—H4	0.9300
Cd1—O1	2.362 (3)	C5—C6	1.388 (6)
Cd1—O4^i	2.498 (3)	C5—H5	0.9300
Cd1—O5^i	2.318 (3)	C6—C7	1.388 (6)
Cd1—O1W	2.418 (3)	C6—H6	0.9300
O1—C15	1.260 (5)	C8—H8	0.9300
O2—C15	1.241 (4)	C9—C10	1.408 (5)
O4—C23	1.230 (6)	C9—C14	1.412 (5)
O5—C23	1.274 (5)	C10—C11	1.372 (6)
N1—C1	1.324 (5)	C10—H10	0.9300
N1—C7	1.402 (5)	C11—C12	1.399 (6)
N2—C1	1.357 (5)	C11—H11	0.9300
N2—C2	1.371 (5)	C12—C13	1.382 (6)
N2—H24	0.8600	C12—H12	0.9300
N3—C8	1.337 (5)	C13—C14	1.379 (6)
N3—C9	1.400 (5)	C13—H13	0.9300
N4—C8	1.335 (5)	C15—C16	1.521 (6)
N4—C14	1.392 (5)	C16—H16A	0.9700
N4—H25	0.8600	C16—H16B	0.9700
O3—C16	1.411 (5)	C17—C18	1.379 (6)
O3—C17	1.384 (5)	C17—C22	1.403 (5)
O4—Cd1^i	2.498 (3)	C18—C19	1.389 (6)
O5—Cd1^i	2.318 (3)	C18—H18	0.9300
O1W—H1W1	0.85 (3)	C19—C20	1.399 (6)
O1W—H1W2	0.85 (4)	C19—H19	0.9300
C1—H1	0.9300	C20—C21	1.382 (6)
C2—C3	1.398 (6)	C20—H20	0.9300
C2—C7	1.418 (5)	C21—C22	1.402 (5)
C3—C4	1.350 (7)	C21—C23	1.532 (5)
C3—H3	0.9300	C22—H22	0.9300
N1—Cd1—O1	90.87 (10)	C4—C5—H5	119.0
N1—Cd1—O4^i	163.36 (11)	C5—C4—H4	119.3
N1—Cd1—O5^i	110.49 (12)	C5—C6—H6	121.1
N1—Cd1—O1W	85.49 (13)	C6—C5—C4	121.9 (5)
N3—Cd1—N1	110.53 (11)	C6—C5—H5	119.0
N3—Cd1—O1	92.30 (11)	C6—C7—N1	131.5 (3)
N3—Cd1—O4^i	86.10 (11)	C6—C7—C2	118.9 (4)
N3—Cd1—O5^i	133.41 (12)	C7—N1—Cd1	133.3 (2)
N3—Cd1—O1W	83.68 (13)	C7—C6—C5	117.7 (4)
O1—Cd1—O4^i	88.91 (11)	C7—C6—H6	121.1
O1—Cd1—O1W	173.23 (11)	C8—N3—Cd1	125.9 (3)
O5^i—Cd1—O1	108.20 (11)	C8—N3—C9	105.3 (3)
O5^i—Cd1—O4^i	54.11 (12)	C8—N4—C14	107.5 (3)
O5^i—Cd1—O1W	78.45 (13)	C8—N4—H25	126.2
O1W—Cd1—O4^i	96.21 (13)	C9—N3—Cd1	128.2 (2)
Cd1—O1W—H1W1	131 (3)	C9—C10—H10	121.0
Cd1—O1W—H1W2	119 (3)	C10—C9—C14	120.7 (4)
N1—Cd1—C23^i	137.77 (13)	C10—C11—C12	120.4 (4)
N1—C1—N2	113.1 (4)	C10—C11—H11	119.8
N1—C1—H1	123.5	C11—C10—C9	118.0 (4)
N1—C7—C2	109.7 (3)	C11—C10—H10	121.0
N2—C1—H1	123.5	C11—C12—H12	118.7
N2—C2—C3	131.9 (4)	C12—C11—H11	119.8
N2—C2—C7	104.7 (3)	C12—C13—H13	121.3
N3—Cd1—C23^i	109.76 (13)	C13—C12—C11	122.7 (4)
N3—C8—H8	123.4	C13—C12—H12	118.7
N3—C9—C10	130.8 (3)	C13—C14—N4	133.6 (4)
N3—C9—C14	108.4 (3)	C13—C14—C9	120.8 (4)
N4—C8—N3	113.1 (3)	C14—N4—H25	126.2
N4—C8—H8	123.4	C14—C13—C12	117.4 (4)
N4—C14—C9	105.6 (3)	C14—C13—H13	121.3
O1—Cd1—C23^i	99.66 (11)	C15—O1—Cd1	114.4 (2)
O1—C15—C16	119.7 (3)	C15—C16—H16A	108.3
O2—C15—O1	124.9 (4)	C15—C16—H16B	108.3
O2—C15—C16	115.3 (4)	C17—O3—C16	117.9 (3)
O3—C16—C15	115.9 (3)	C17—C18—C19	119.7 (4)
O3—C16—H16A	108.3	C17—C18—H18	120.2
O3—C17—C22	124.9 (4)	C17—C22—H22	119.9
O3—C16—H16B	108.3	C18—C17—O3	115.4 (3)
O4^i—Cd1—C23^i	26.60 (12)	C18—C17—C22	119.6 (4)
O4—C23—Cd1^i	65.4 (2)	C18—C19—C20	121.4 (4)
O4—C23—O5	122.6 (4)	C18—C19—H19	119.3
O4—C23—C21	119.5 (4)	C19—C18—H18	120.2
O5^i—Cd1—C23^i	27.52 (13)	C19—C20—H20	120.5
O5—C23—Cd1^i	57.2 (2)	C20—C19—H19	119.3
O5—C23—C21	117.9 (4)	C20—C21—C22	120.0 (4)
O1W—Cd1—C23^i	86.85 (13)	C20—C21—C23	121.1 (4)
C1—N1—Cd1	121.5 (3)	C21—C20—C19	118.9 (4)
C1—N1—C7	104.4 (3)	C21—C20—H20	120.5
C1—N2—C2	108.2 (3)	C21—C22—C17	120.2 (4)
C1—N2—H24	125.9	C21—C22—H22	119.9
C2—N2—H24	125.9	C21—C23—Cd1^i	175.1 (3)
C2—C3—H3	121.6	C22—C21—C23	118.9 (4)
C3—C2—C7	123.4 (4)	C23—O4—Cd1^i	88.0 (3)
C3—C4—C5	121.3 (4)	C23—O5—Cd1^i	95.3 (3)
C3—C4—H4	119.3	H1W1—O1W—H1W2	109 (5)
C4—C3—C2	116.7 (4)	H16A—C16—H16B	107.4
C4—C3—H3	121.6
Cd1—N1—C1—N2	−171.0 (3)	C1—N2—C2—C3	179.7 (4)
Cd1—N1—C7—C2	169.9 (2)	C1—N2—C2—C7	0.7 (4)
Cd1—N1—C7—C6	−11.4 (6)	C1—N1—C7—C6	178.8 (4)
Cd1—N3—C8—N4	171.4 (3)	C2—N2—C1—N1	−0.7 (5)
Cd1—N3—C9—C10	9.4 (6)	C2—C3—C4—C5	−0.8 (7)
Cd1—N3—C9—C14	−170.8 (2)	C3—C2—C7—N1	−179.6 (4)
Cd1—O1—C15—O2	−13.7 (5)	C3—C2—C7—C6	1.5 (6)
Cd1—O1—C15—C16	162.5 (3)	C3—C4—C5—C6	0.9 (8)
Cd1^i—O4—C23—O5	−1.4 (5)	C4—C5—C6—C7	0.2 (7)
Cd1^i—O4—C23—C21	179.8 (3)	C5—C6—C7—N1	−179.9 (4)
Cd1^i—O5—C23—O4	1.6 (5)	C5—C6—C7—C2	−1.3 (6)
Cd1^i—O5—C23—C21	−179.7 (3)	C7—N1—C1—N2	0.3 (4)
N1—Cd1—N3—C8	−179.7 (3)	C7—C2—C3—C4	−0.5 (6)
N1—Cd1—N3—C9	−9.9 (3)	C8—N3—C9—C10	−179.2 (4)
N1—Cd1—O1—C15	−57.8 (3)	C8—N3—C9—C14	0.7 (4)
N2—C2—C3—C4	−179.2 (4)	C8—N4—C14—C9	0.5 (4)
N2—C2—C7—N1	−0.6 (4)	C8—N4—C14—C13	−178.5 (4)
N2—C2—C7—C6	−179.4 (4)	C9—N3—C8—N4	−0.4 (5)
N3—Cd1—N1—C1	−118.8 (3)	C9—C10—C11—C12	−0.2 (7)
N3—Cd1—N1—C7	72.9 (3)	C10—C9—C14—N4	179.2 (3)
N3—Cd1—O1—C15	−168.4 (2)	C10—C9—C14—C13	−1.8 (6)
N3—C9—C10—C11	−179.3 (4)	C10—C11—C12—C13	0.3 (8)
N3—C9—C14—N4	−0.7 (4)	C11—C12—C13—C14	−1.1 (7)
N3—C9—C14—C13	178.4 (4)	C12—C13—C14—N4	−179.4 (4)
O1—Cd1—N1—C1	148.5 (3)	C12—C13—C14—C9	1.8 (6)
O1—Cd1—N1—C7	−19.9 (3)	C14—N4—C8—N3	0.0 (5)
O1—Cd1—N3—C8	−88.0 (3)	C14—C9—C10—C11	0.9 (6)
O1—Cd1—N3—C9	81.9 (3)	C16—O3—C17—C18	175.3 (4)
O1—C15—C16—O3	3.8 (5)	C16—O3—C17—C22	−5.0 (6)
O2—C15—C16—O3	−179.7 (3)	C17—O3—C16—C15	79.6 (5)
O3—C17—C18—C19	176.7 (4)	C17—C18—C19—C20	1.3 (7)
O3—C17—C22—C21	−177.2 (4)	C18—C17—C22—C21	2.5 (6)
O4^i—Cd1—N1—C1	59.3 (6)	C18—C19—C20—C21	0.9 (6)
O4^i—Cd1—N1—C7	−109.0 (5)	C19—C20—C21—C22	−1.4 (6)
O4^i—Cd1—N3—C8	0.8 (3)	C19—C20—C21—C23	178.5 (4)
O4^i—Cd1—N3—C9	170.6 (3)	C20—C21—C22—C17	−0.3 (6)
O4^i—Cd1—O1—C15	105.6 (3)	C20—C21—C23—O4	−171.1 (4)
O5^i—Cd1—N1—C1	38.6 (3)	C20—C21—C23—O5	10.1 (6)
O5^i—Cd1—N1—C7	−129.7 (3)	C22—C17—C18—C19	−3.0 (6)
O5^i—Cd1—N3—C8	30.0 (4)	C22—C21—C23—O4	8.8 (6)
O5^i—Cd1—N3—C9	−160.2 (3)	C22—C21—C23—O5	−170.0 (4)
O5^i—Cd1—O1—C15	54.1 (3)	C23^i—Cd1—N1—C1	43.0 (4)
O1W—Cd1—N1—C1	−37.3 (3)	C23^i—Cd1—N1—C7	−125.3 (3)
O1W—Cd1—N1—C7	154.4 (3)	C23^i—Cd1—N3—C8	13.2 (4)
O1W—Cd1—N3—C8	97.5 (3)	C23^i—Cd1—N3—C9	−177.0 (3)
O1W—Cd1—N3—C9	−92.7 (3)	C23^i—Cd1—O1—C15	81.1 (3)
C1—N1—C7—C2	0.2 (4)	C23—C21—C22—C17	179.8 (3)

Symmetry code: (i) −x, −y+1, −z+1.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
N2—H24···O1^ii	0.86	1.97	2.831 (4)	176
N4—H25···O2^iii	0.86	2.04	2.861 (4)	160
O1W—H1W2···O2^iv	0.85 (4)	1.96 (3)	2.748 (5)	155 (6)
O1W—H1W1···O5^ii	0.85 (3)	2.29 (4)	2.999 (5)	141 (4)
O1W—H1W1···O2W^v	0.85 (3)	2.18 (4)	2.869 (10)	138 (6)

Symmetry codes: (ii) x, −y+1/2, z+1/2; (iii) x, −y+1/2, z−1/2; (iv) −x, y−1/2, −z+3/2; (v) x, y−1, z.