Di­aqua­(benz­imidazole)(nitrato-κO)(1,10-phenanthroline)­cadmium(II) nitrate

In the crystal structure of the title compound, [Cd(NO₃)(C₇H₆N₂)(C₁₂H₈N₂)(H₂O)₂]NO₃, the phenanthroline-chelated Cd atom is bonded to the benz­imidazole, two water mol­ecules and a monodentate nitrate group in a six-coordinate octahedral geometry. The cation interacts with the nitrate anion to form a three-dimensional hydrogen-bonding network.

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean [sigma](C-C) = 0.008 Å
• R factor = 0.046
• wR factor = 0.137
• Data-to-parameter ratio = 15.1

checkCIF/PLATON results

No syntax errors found



Alert level A
ABSTM02_ALERT_3_A  The ratio of expected to reported Tmax/Tmin(RR') is < 0.50
            Tmin and Tmax reported:      0.336     0.808
            Tmin' and Tmax expected:      0.707     0.800
            RR' =      0.471
            Please check that your absorption correction is appropriate.

Author Response: The range is given by SADABS. SADABS corrects for more than absorption; some authors retain the transmission factors given by SHELXL-97 whereas others use the values given by SADABS.

PLAT061_ALERT_3_A Tmax/Tmin Range Test RR' too Large .............       0.46

Author Response: Same as above.

Alert level B
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for         N5
PLAT731_ALERT_1_B Bond    Calc     0.85(5), Rep   0.840(10) ......       5.00 su-Rat
              O2W  -H2W1    1.555   1.555
PLAT735_ALERT_1_B D-H     Calc     0.85(5), Rep   0.843(10) ......       5.00 su-Rat
              O2W  -H3#     1.555   1.555

Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.97
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Cd1    -   O1      ..       5.59 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Cd1    -   N1      ..       5.07 su
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O1
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         N6
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          4
PLAT731_ALERT_1_C Bond    Calc     0.85(4), Rep   0.850(10) ......       4.00 su-Rat
              O1W  -H1W1    1.555   1.555
PLAT731_ALERT_1_C Bond    Calc     0.85(3), Rep   0.850(10) ......       3.00 su-Rat
              O1W  -H1W2    1.555   1.555
PLAT731_ALERT_1_C Bond    Calc     0.85(4), Rep   0.850(10) ......       4.00 su-Rat
              N4   -H4N     1.555   1.555
PLAT732_ALERT_1_C Angle   Calc      109(5), Rep      110(2) ......       2.50 su-Rat
              H1W1 -O1W  -H1W2    1.555   1.555   1.555
PLAT732_ALERT_1_C Angle   Calc      111(5), Rep      111(2) ......       2.50 su-Rat
              H2W1 -O2W  -H2W2    1.555   1.555   1.555
PLAT735_ALERT_1_C D-H     Calc     0.85(4), Rep   0.848(10) ......       4.00 su-Rat
              O1W  -H1#     1.555   1.555
PLAT735_ALERT_1_C D-H     Calc     0.85(3), Rep   0.849(10) ......       3.00 su-Rat
              O1W  -H2#     1.555   1.555
PLAT735_ALERT_1_C D-H     Calc     0.85(4), Rep   0.848(10) ......       4.00 su-Rat
              N4   -H4N     1.555   1.555
PLAT736_ALERT_1_C H...A   Calc     1.87(4), Rep   1.873(13) ......       3.08 su-Rat
              H1#  -O4      1.555   1.555
PLAT736_ALERT_1_C H...A   Calc     1.98(4), Rep   1.975(12) ......       3.33 su-Rat
              H2#  -O2      1.555   1.655
PLAT736_ALERT_1_C H...A   Calc     1.95(5), Rep     1.96(2) ......       2.50 su-Rat
              H3#  -O6      1.555   2.646

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

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

---

Computing details

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: SHELXTL(Bruker, 2002); software used to prepare material for publication: SHELXL97.

Diaqua(benzimidazole)(nitrato-κO)(1,10-phenanthroline)cadmium(II) nitrate

Crystal data

[Cd(NO3)(C7H6N2)(C12H8N2)(H2O)2]NO3	F(000) = 1144
Mr = 570.79	Dx = 1.740 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 5541 reflections
a = 7.5119 (4) Å	θ = 2.4–26.8°
b = 16.9551 (9) Å	µ = 1.06 mm^−1
c = 17.1127 (9) Å	T = 295 K
β = 90.821 (1)°	Block, colorless
V = 2179.3 (2) Å^3	0.32 × 0.24 × 0.21 mm
Z = 4

Data collection

Bruker APEX area-detector diffractometer	4878 independent reflections
Radiation source: fine-focus sealed tube	4191 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.029
φ and ω scans	θmax = 27.5°, θmin = 1.2°
Absorption correction: multi-scan (SADABS; Bruker, 2002)	h = −8→9
Tmin = 0.336, Tmax = 0.808	k = −19→21
13046 measured reflections	l = −17→21

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) = 0.137	H atoms treated by a mixture of independent and constrained refinement
S = 1.13	w = 1/[σ^2(Fo^2) + (0.0611P)^2 + 2.947P] where P = (Fo^2 + 2Fc^2)/3
4878 reflections	(Δ/σ)max = 0.001
322 parameters	Δρmax = 0.80 e Å^−3
7 restraints	Δρmin = −0.85 e Å^−3

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

	x	y	z	Uiso*/Ueq
Cd1	0.54630 (4)	0.67756 (1)	0.69828 (2)	0.0452 (1)
O1	0.3504 (5)	0.5655 (2)	0.7025 (3)	0.075 (1)
O2	0.1671 (6)	0.6606 (3)	0.7049 (3)	0.075 (1)
O3	0.0748 (6)	0.5416 (3)	0.7013 (5)	0.136 (3)
O4	0.8622 (7)	0.8573 (2)	0.6032 (2)	0.082 (1)
O5	0.8772 (8)	0.9804 (3)	0.5901 (4)	0.114 (2)
O6	0.8646 (8)	0.9286 (3)	0.7047 (3)	0.102 (2)
O1w	0.8304 (5)	0.7347 (2)	0.7042 (2)	0.060 (1)
O2w	0.7181 (5)	0.5651 (2)	0.7141 (3)	0.072 (1)
N1	0.5623 (5)	0.6651 (2)	0.5622 (2)	0.051 (1)
N2	0.4344 (5)	0.7931 (2)	0.6401 (2)	0.051 (1)
N3	0.5119 (5)	0.7014 (2)	0.8263 (2)	0.050 (1)
N4	0.4595 (6)	0.6739 (2)	0.9496 (2)	0.056 (1)
N5	0.1949 (5)	0.5893 (3)	0.7032 (3)	0.061 (1)
N6	0.8654 (6)	0.9238 (2)	0.6336 (3)	0.057 (1)
C1	0.6176 (8)	0.6026 (3)	0.5233 (4)	0.069 (1)
C2	0.6329 (9)	0.6013 (4)	0.4418 (4)	0.084 (2)
C3	0.5905 (9)	0.6664 (4)	0.4010 (4)	0.079 (2)
C4	0.5321 (7)	0.7332 (4)	0.4396 (3)	0.059 (1)
C5	0.4842 (9)	0.8043 (4)	0.3991 (3)	0.073 (2)
C6	0.4217 (8)	0.8669 (4)	0.4375 (4)	0.073 (2)
C7	0.4019 (7)	0.8650 (3)	0.5194 (3)	0.058 (1)
C8	0.3304 (9)	0.9283 (3)	0.5622 (4)	0.078 (2)
C9	0.3113 (9)	0.9222 (4)	0.6406 (4)	0.080 (2)
C10	0.3650 (8)	0.8533 (4)	0.6781 (3)	0.066 (1)
C11	0.4525 (6)	0.7966 (3)	0.5619 (3)	0.046 (1)
C12	0.5193 (6)	0.7302 (3)	0.5208 (3)	0.050 (1)
C13	0.4597 (7)	0.6481 (3)	0.8766 (3)	0.054 (1)
C14	0.5529 (6)	0.7674 (3)	0.8714 (2)	0.044 (1)
C15	0.5186 (6)	0.7506 (3)	0.9495 (2)	0.048 (1)
C16	0.5454 (8)	0.8044 (4)	1.0096 (3)	0.065 (1)
C17	0.6062 (8)	0.8771 (4)	0.9871 (4)	0.074 (2)
C18	0.6409 (8)	0.8954 (3)	0.9096 (4)	0.068 (1)
C19	0.6169 (7)	0.8406 (3)	0.8507 (3)	0.057 (1)
H1w1	0.832 (6)	0.774 (2)	0.673 (3)	0.072*
H1w2	0.931 (4)	0.712 (3)	0.704 (3)	0.072*
H2w1	0.672 (6)	0.528 (3)	0.740 (3)	0.086*
H2w2	0.830 (2)	0.561 (3)	0.713 (4)	0.086*
H4n	0.411 (7)	0.650 (3)	0.987 (2)	0.067*
H1	0.6477	0.5574	0.5512	0.083*
H2	0.6719	0.5561	0.4164	0.100*
H3	0.6003	0.6667	0.3469	0.095*
H5	0.4967	0.8069	0.3452	0.088*
H6	0.3910	0.9123	0.4100	0.088*
H8	0.2963	0.9744	0.5365	0.094*
H9	0.2628	0.9635	0.6690	0.096*
H10	0.3515	0.8494	0.7319	0.079*
H13	0.4261	0.5972	0.8624	0.064*
H16	0.5237	0.7920	1.0615	0.078*
H17	0.6249	0.9156	1.0250	0.089*
H18	0.6811	0.9457	0.8972	0.082*
H19	0.6428	0.8526	0.7990	0.068*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cd1	0.0520 (2)	0.0449 (2)	0.0386 (2)	0.0048 (1)	0.0009 (1)	0.0050 (1)
O1	0.046 (2)	0.069 (2)	0.110 (3)	0.004 (2)	−0.004 (2)	−0.003 (2)
O2	0.068 (2)	0.069 (3)	0.086 (3)	0.006 (2)	−0.004 (2)	0.005 (2)
O3	0.048 (2)	0.086 (4)	0.274 (9)	−0.013 (2)	−0.011 (4)	0.029 (4)
O4	0.143 (4)	0.052 (2)	0.051 (2)	−0.014 (2)	0.026 (2)	−0.010 (2)
O5	0.145 (5)	0.061 (3)	0.134 (5)	0.002 (3)	−0.022 (4)	0.041 (3)
O6	0.164 (5)	0.079 (3)	0.065 (3)	−0.003 (3)	0.025 (3)	−0.025 (2)
O1w	0.059 (2)	0.053 (2)	0.068 (2)	0.000 (2)	0.006 (2)	0.016 (2)
O2w	0.054 (2)	0.056 (2)	0.106 (3)	0.008 (2)	0.017 (2)	0.033 (2)
N1	0.054 (2)	0.051 (2)	0.049 (2)	0.005 (2)	−0.003 (2)	0.001 (2)
N2	0.052 (2)	0.056 (2)	0.046 (2)	0.008 (2)	−0.003 (2)	0.001 (2)
N3	0.059 (2)	0.049 (2)	0.040 (2)	−0.003 (2)	0.001 (2)	0.005 (2)
N4	0.065 (3)	0.060 (3)	0.043 (2)	−0.006 (2)	0.006 (2)	0.016 (2)
N5	0.046 (2)	0.069 (3)	0.067 (3)	−0.002 (2)	−0.004 (2)	0.008 (2)
N6	0.070 (3)	0.042 (2)	0.058 (2)	0.000 (2)	0.007 (2)	0.002 (2)
C1	0.075 (3)	0.063 (3)	0.069 (3)	0.019 (3)	−0.006 (3)	−0.008 (3)
C2	0.079 (4)	0.093 (5)	0.078 (4)	0.013 (4)	−0.002 (3)	−0.041 (4)
C3	0.074 (4)	0.108 (5)	0.054 (3)	0.003 (3)	−0.006 (3)	−0.013 (3)
C4	0.050 (3)	0.086 (4)	0.042 (2)	−0.006 (2)	−0.006 (2)	−0.002 (2)
C5	0.082 (4)	0.100 (5)	0.038 (3)	−0.009 (3)	−0.004 (3)	0.020 (3)
C6	0.078 (4)	0.075 (4)	0.066 (3)	−0.008 (3)	−0.015 (3)	0.025 (3)
C7	0.060 (3)	0.056 (3)	0.057 (3)	−0.008 (2)	−0.014 (2)	0.015 (2)
C8	0.089 (4)	0.047 (3)	0.098 (5)	0.005 (3)	−0.027 (4)	0.009 (3)
C9	0.091 (4)	0.060 (3)	0.088 (4)	0.022 (3)	−0.023 (4)	−0.014 (3)
C10	0.071 (3)	0.069 (3)	0.058 (3)	0.022 (3)	−0.009 (3)	−0.006 (3)
C11	0.044 (2)	0.049 (2)	0.045 (2)	−0.005 (2)	−0.007 (2)	0.005 (2)
C12	0.043 (2)	0.060 (3)	0.046 (2)	−0.006 (2)	−0.005 (2)	0.000 (2)
C13	0.066 (3)	0.048 (2)	0.048 (3)	−0.004 (2)	0.004 (2)	0.005 (2)
C14	0.045 (2)	0.051 (2)	0.037 (2)	0.002 (2)	−0.001 (2)	0.003 (2)
C15	0.046 (2)	0.062 (3)	0.037 (2)	0.002 (2)	−0.001 (2)	0.004 (2)
C16	0.071 (3)	0.084 (4)	0.040 (2)	0.004 (3)	0.001 (2)	−0.006 (2)
C17	0.085 (4)	0.073 (4)	0.065 (3)	0.000 (3)	−0.010 (3)	−0.020 (3)
C18	0.075 (4)	0.059 (3)	0.071 (4)	−0.010 (3)	−0.003 (3)	−0.003 (3)
C19	0.062 (3)	0.056 (3)	0.053 (3)	−0.007 (2)	−0.002 (2)	0.007 (2)

Geometric parameters (Å, º)

Cd1—O1	2.405 (4)	C7—C11	1.417 (7)
Cd1—O1w	2.345 (4)	C8—C9	1.36 (1)
Cd1—O2w	2.316 (3)	C9—C10	1.390 (8)
Cd1—N1	2.343 (4)	C11—C12	1.423 (7)
Cd1—N2	2.348 (4)	C14—C19	1.380 (7)
Cd1—N3	2.246 (4)	C14—C15	1.394 (6)
O1—N5	1.236 (5)	C15—C16	1.387 (7)
O2—N5	1.226 (6)	C16—C17	1.372 (9)
O3—N5	1.212 (6)	C17—C18	1.389 (9)
O4—N6	1.242 (5)	C18—C19	1.382 (8)
O5—N6	1.220 (6)	O1w—H1w1	0.85 (1)
O6—N6	1.219 (6)	O1w—H1w2	0.85 (1)
N1—C1	1.322 (7)	O2w—H2w1	0.84 (1)
N1—C12	1.349 (6)	O2w—H2w2	0.84 (1)
N2—C10	1.321 (7)	N4—H4n	0.85 (1)
N2—C11	1.348 (6)	C1—H1	0.93
N3—C13	1.313 (6)	C2—H2	0.93
N3—C14	1.390 (6)	C3—H3	0.93
N4—C13	1.323 (7)	C5—H5	0.93
N4—C15	1.375 (6)	C6—H6	0.93
C1—C2	1.400 (9)	C8—H8	0.93
C2—C3	1.34 (1)	C9—H9	0.93
C3—C4	1.386 (9)	C10—H10	0.93
C4—C12	1.394 (7)	C13—H13	0.93
C4—C5	1.434 (8)	C16—H16	0.93
C5—C6	1.337 (9)	C17—H17	0.93
C6—C7	1.412 (8)	C18—H18	0.93
C7—C8	1.411 (8)	C19—H19	0.93
O1—Cd1—O1w	151.9 (1)	N1—C12—C4	122.3 (5)
O1—Cd1—O2w	71.7 (1)	N1—C12—C11	118.1 (4)
O1—Cd1—N1	89.9 (2)	C4—C12—C11	119.5 (5)
O1—Cd1—N2	117.2 (1)	N4—C13—N3	113.3 (5)
O1—Cd1—N3	92.0 (2)	C19—C14—N3	131.0 (4)
O1w—Cd1—O2w	80.2 (1)	C19—C14—C15	120.0 (4)
O1w—Cd1—N1	91.2 (1)	N3—C14—C15	109.0 (4)
O1w—Cd1—N2	89.7 (1)	N4—C15—C16	131.6 (4)
O1w—Cd1—N3	90.0 (1)	N4—C15—C14	105.0 (4)
O2w—Cd1—N1	90.3 (2)	C16—C15—C14	123.4 (5)
O2w—Cd1—N2	158.7 (2)	C15—C16—C17	115.3 (5)
O2w—Cd1—N3	96.1 (2)	C16—C17—C18	122.5 (5)
N1—Cd1—N2	71.2 (1)	C19—C18—C17	121.5 (5)
N1—Cd1—N3	173.6 (1)	C18—C19—C14	117.4 (5)
N2—Cd1—N3	102.6 (1)	Cd1—O1w—H1w1	108 (4)
N5—O1—Cd1	108.7 (3)	Cd1—O1w—H1w2	128 (4)
C1—N1—C12	117.7 (5)	H1w1—O1w—H1w2	110 (2)
C1—N1—Cd1	126.5 (4)	Cd1—O2w—H2w1	116 (4)
C12—N1—Cd1	115.7 (3)	Cd1—O2w—H2w2	128 (4)
C10—N2—C11	120.2 (4)	H2w1—O2w—H2w2	111 (2)
C10—N2—Cd1	125.2 (4)	C13—N4—H4n	124 (4)
C11—N2—Cd1	114.6 (3)	C15—N4—H4n	127 (4)
C13—N3—C14	104.8 (4)	N1—C1—H1	118.5
C13—N3—Cd1	123.7 (3)	C2—C1—H1	118.5
C14—N3—Cd1	131.2 (3)	C3—C2—H2	120.6
C13—N4—C15	107.9 (4)	C1—C2—H2	120.6
O2—N5—O3	122.1 (5)	C2—C3—H3	120.0
O2—N5—O1	118.9 (5)	C4—C3—H3	120.0
O3—N5—O1	119.0 (5)	C6—C5—H5	119.4
O6—N6—O5	123.9 (5)	C4—C5—H5	119.4
O6—N6—O4	118.6 (4)	C5—C6—H6	119.6
O5—N6—O4	117.4 (5)	C7—C6—H6	119.6
N1—C1—C2	123.1 (6)	C9—C8—H8	120.0
C3—C2—C1	118.9 (6)	C7—C8—H8	120.0
C2—C3—C4	119.9 (6)	C8—C9—H9	120.4
C3—C4—C12	118.1 (5)	C10—C9—H9	120.4
C3—C4—C5	122.4 (5)	N2—C10—H10	118.8
C12—C4—C5	119.5 (5)	C9—C10—H10	118.8
C6—C5—C4	121.2 (5)	N4—C13—H13	123.3
C5—C6—C7	120.8 (5)	N3—C13—H13	123.3
C8—C7—C6	122.9 (5)	C15—C16—H16	122.4
C8—C7—C11	117.3 (5)	C17—C16—H16	122.4
C6—C7—C11	119.8 (5)	C16—C17—H17	118.8
C9—C8—C7	120.1 (5)	C18—C17—H17	118.8
C8—C9—C10	119.2 (6)	C19—C18—H18	119.3
N2—C10—C9	122.3 (6)	C17—C18—H18	119.3
N2—C11—C7	120.9 (5)	C18—C19—H19	121.3
N2—C11—C12	119.9 (4)	C14—C19—H19	121.3
C7—C11—C12	119.2 (4)
N3—Cd1—O1—N5	77.8 (4)	C11—C7—C8—C9	−0.4 (9)
O2w—Cd1—O1—N5	173.5 (4)	C7—C8—C9—C10	0.8 (10)
N1—Cd1—O1—N5	−96.1 (4)	C11—N2—C10—C9	−1.2 (9)
O1w—Cd1—O1—N5	171.5 (3)	Cd1—N2—C10—C9	175.8 (5)
N2—Cd1—O1—N5	−27.5 (4)	C8—C9—C10—N2	0 (1)
O2w—Cd1—N1—C1	13.2 (5)	C10—N2—C11—C7	1.5 (7)
O1w—Cd1—N1—C1	93.4 (5)	Cd1—N2—C11—C7	−175.8 (3)
N2—Cd1—N1—C1	−177.3 (5)	C10—N2—C11—C12	−177.0 (5)
O1—Cd1—N1—C1	−58.5 (5)	Cd1—N2—C11—C12	5.7 (5)
O2w—Cd1—N1—C12	−163.0 (3)	C8—C7—C11—N2	−0.7 (7)
O1w—Cd1—N1—C12	−82.8 (3)	C6—C7—C11—N2	−179.8 (5)
N2—Cd1—N1—C12	6.4 (3)	C8—C7—C11—C12	177.8 (5)
O1—Cd1—N1—C12	125.3 (3)	C6—C7—C11—C12	−1.3 (7)
N3—Cd1—N2—C10	−2.1 (5)	C1—N1—C12—C4	−0.3 (7)
O2w—Cd1—N2—C10	−153.0 (5)	Cd1—N1—C12—C4	176.3 (4)
N1—Cd1—N2—C10	176.6 (5)	C1—N1—C12—C11	177.4 (5)
O1w—Cd1—N2—C10	−92.0 (5)	Cd1—N1—C12—C11	−6.1 (5)
O1—Cd1—N2—C10	96.8 (5)	C3—C4—C12—N1	0.3 (7)
N3—Cd1—N2—C11	175.1 (3)	C5—C4—C12—N1	180.0 (5)
O2w—Cd1—N2—C11	24.2 (6)	C3—C4—C12—C11	−177.3 (5)
N1—Cd1—N2—C11	−6.2 (3)	C5—C4—C12—C11	2.4 (7)
O1w—Cd1—N2—C11	85.2 (3)	N2—C11—C12—N1	0.2 (6)
O1—Cd1—N2—C11	−86.1 (3)	C7—C11—C12—N1	−178.4 (4)
O2w—Cd1—N3—C13	−50.0 (4)	N2—C11—C12—C4	177.9 (4)
O1w—Cd1—N3—C13	−130.2 (4)	C7—C11—C12—C4	−0.7 (7)
N2—Cd1—N3—C13	140.2 (4)	C15—N4—C13—N3	−0.8 (6)
O1—Cd1—N3—C13	21.8 (4)	C14—N3—C13—N4	1.3 (6)
O2w—Cd1—N3—C14	123.1 (4)	Cd1—N3—C13—N4	176.0 (3)
O1w—Cd1—N3—C14	43.0 (4)	C13—N3—C14—C19	178.9 (5)
N2—Cd1—N3—C14	−46.7 (4)	Cd1—N3—C14—C19	4.8 (8)
O1—Cd1—N3—C14	−165.1 (4)	C13—N3—C14—C15	−1.3 (5)
Cd1—O1—N5—O2	−2.9 (6)	Cd1—N3—C14—C15	−175.4 (3)
Cd1—O1—N5—O3	176.3 (5)	C13—N4—C15—C16	−179.2 (5)
C12—N1—C1—C2	0.0 (8)	C13—N4—C15—C14	0.0 (5)
Cd1—N1—C1—C2	−176.2 (5)	C19—C14—C15—N4	−179.3 (4)
N1—C1—C2—C3	0 (1)	N3—C14—C15—N4	0.8 (5)
C1—C2—C3—C4	0 (1)	C19—C14—C15—C16	0.0 (7)
C2—C3—C4—C12	−0.1 (9)	N3—C14—C15—C16	−179.9 (5)
C2—C3—C4—C5	−179.7 (6)	N4—C15—C16—C17	−179.8 (5)
C3—C4—C5—C6	177.4 (6)	C14—C15—C16—C17	1.1 (8)
C12—C4—C5—C6	−2.2 (9)	C15—C16—C17—C18	−0.8 (9)
C4—C5—C6—C7	0.3 (9)	C16—C17—C18—C19	−1 (1)
C5—C6—C7—C8	−177.5 (6)	C17—C18—C19—C14	1.5 (9)
C5—C6—C7—C11	1.5 (9)	N3—C14—C19—C18	178.5 (5)
C6—C7—C8—C9	178.6 (6)	C15—C14—C19—C18	−1.3 (7)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O1w—H1w1···O4	0.85 (1)	1.87 (1)	2.717 (5)	173 (5)
O1w—H1w2···O2^i	0.85 (1)	1.98 (1)	2.824 (5)	179 (6)
O2w—H2w1···O6^ii	0.84 (1)	1.96 (2)	2.775 (5)	163 (5)
O2w—H2w2···O3^i	0.84 (1)	1.88 (2)	2.721 (6)	172 (7)
N4—H4n···O4^iii	0.85 (1)	2.03 (3)	2.789 (5)	149 (5)

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