In the title coordination polymer, [Cu(1,4-BDOA)(2,2′-bipy)(H
2O)]
n (where 1,4-BDOA
2− is benzene-1,4-dioxyacetate, C
10H
8O
6, and 2,2′-bipy is 2,2′-bipyridine, C
10H
8N
2), each Cu
II atom is six-coordinate and displays a distorted square-pyramidal geometry, with the basal plane capped by one very long semicoordinate Cu—O bond of 2.920 (3) Å. Adjacent Cu
II ions are bridged by carboxylate groups, resulting in a one-dimensional chain structure with a shortest Cu
Cu distance of 13.484 (3) Å. Furthermore, these chains are linked through hydrogen bonds and π–π stacking interactions to form a supramolecular network.
Supporting information
CCDC reference: 219234
Key indicators
- Single-crystal X-ray study
- T = 296 K
- Mean (C-C) = 0.006 Å
- R factor = 0.058
- wR factor = 0.086
- Data-to-parameter ratio = 15.6
checkCIF/PLATON results
No syntax errors found
Alert level C
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O5
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 2
Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
correct. If it is not, please give the correct count in the
_publ_section_exptl_refinement section of the submitted CIF.
From the CIF: _diffrn_reflns_theta_max 27.50
From the CIF: _reflns_number_total 4319
Count of symmetry unique reflns 2509
Completeness (_total/calc) 172.14%
TEST3: Check Friedels for noncentro structure
Estimate of Friedel pairs measured 1810
Fraction of Friedel pairs measured 0.721
Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem
0 ALERT level B = Potentially serious problem
2 ALERT level C = Check and explain
1 ALERT level G = General alerts; check
0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
1 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
2 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: RAPID-AUTO (Rigaku Corporation, 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.
'Catena-poly[aqua(2,2'-bipyridine)copper(II)-µ-benzene-1,4-dioxyacetato] '
top
Crystal data top
[Cu(C10H8O6)(C10H8N2)(H2O)] | F(000) = 948 |
Mr = 461.91 | Dx = 1.609 Mg m−3 |
Orthorhombic, P212121 | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: P 2ac 2ab | Cell parameters from 15032 reflections |
a = 6.9836 (14) Å | θ = 3.2–27.5° |
b = 15.597 (3) Å | µ = 1.19 mm−1 |
c = 17.506 (4) Å | T = 296 K |
V = 1906.8 (7) Å3 | Prism, blue |
Z = 4 | 0.38 × 0.26 × 0.18 mm |
Data collection top
Rigaku R-AXIS RAPID diffractometer | 4319 independent reflections |
Radiation source: fine-focus sealed tube | 3071 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.069 |
Detector resolution: 10 pixels mm-1 | θmax = 27.5°, θmin = 3.1° |
ω scans | h = −9→9 |
Absorption correction: multi-scan (ABSCOR; Higashi, 1995) | k = −19→20 |
Tmin = 0.660, Tmax = 0.814 | l = −22→22 |
16530 measured reflections | |
Refinement top
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.058 | H atoms treated by a mixture of independent and constrained refinement |
wR(F2) = 0.086 | w = 1/[σ2(Fo2) + (0.0296P)2 + 0.4933P] where P = (Fo2 + 2Fc2)/3 |
S = 1.03 | (Δ/σ)max < 0.001 |
4319 reflections | Δρmax = 0.59 e Å−3 |
277 parameters | Δρmin = −0.33 e Å−3 |
3 restraints | Absolute structure: Flack (1983). 1832 Friedel pairs |
Primary atom site location: structure-invariant direct methods | Absolute structure parameter: 0.02 (2) |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
Cu1 | 0.92487 (7) | 0.37035 (3) | 0.65767 (3) | 0.02974 (13) | |
N1 | 0.9691 (5) | 0.3592 (2) | 0.54454 (17) | 0.0306 (9) | |
N2 | 0.9647 (5) | 0.24231 (19) | 0.6495 (2) | 0.0313 (8) | |
O1 | 0.8420 (4) | 0.49070 (16) | 0.65260 (18) | 0.0346 (7) | |
O2 | 0.5548 (5) | 0.45832 (19) | 0.60405 (18) | 0.0468 (8) | |
O3 | 0.4064 (4) | 0.61112 (18) | 0.64953 (17) | 0.0446 (8) | |
O4 | 0.8511 (4) | 0.3641 (2) | 0.76580 (16) | 0.0388 (7) | |
O5 | 0.5648 (5) | 0.3177 (2) | 0.72836 (17) | 0.0515 (8) | |
O6 | 0.4240 (5) | 0.3305 (2) | 0.86762 (16) | 0.0465 (8) | |
O1W | 1.2237 (4) | 0.4076 (2) | 0.6905 (2) | 0.0578 (10) | |
C1 | 0.6703 (7) | 0.5065 (3) | 0.6358 (2) | 0.0308 (10) | |
C2 | 0.6058 (6) | 0.5969 (2) | 0.6588 (3) | 0.0384 (11) | |
C3 | 0.3345 (6) | 0.6243 (3) | 0.5773 (2) | 0.0342 (10) | |
C4 | 0.1401 (6) | 0.6374 (3) | 0.5742 (2) | 0.0381 (11) | |
C5 | 0.4383 (7) | 0.6284 (3) | 0.5104 (2) | 0.0415 (10) | |
C6 | 0.6792 (7) | 0.3413 (3) | 0.7773 (2) | 0.0318 (11) | |
C7 | 0.6241 (5) | 0.3429 (3) | 0.8604 (2) | 0.0330 (11) | |
C8 | 0.3463 (7) | 0.3439 (3) | 0.9385 (3) | 0.0363 (11) | |
C9 | 0.4497 (7) | 0.3475 (3) | 1.0062 (2) | 0.0387 (11) | |
C10 | 0.1513 (6) | 0.3549 (3) | 0.9418 (3) | 0.0395 (12) | |
C11 | 0.9772 (7) | 0.4236 (3) | 0.4950 (3) | 0.0436 (14) | |
C12 | 0.9957 (7) | 0.4111 (3) | 0.4177 (3) | 0.0480 (14) | |
C13 | 1.0024 (6) | 0.3283 (3) | 0.3903 (3) | 0.0431 (12) | |
C14 | 0.9962 (6) | 0.2610 (3) | 0.4408 (3) | 0.0366 (11) | |
C15 | 0.9814 (5) | 0.2778 (3) | 0.5179 (2) | 0.0265 (9) | |
C16 | 0.9800 (6) | 0.2118 (3) | 0.5782 (2) | 0.0295 (10) | |
C17 | 0.9964 (6) | 0.1241 (3) | 0.5640 (3) | 0.0384 (11) | |
C18 | 0.9969 (8) | 0.0688 (3) | 0.6251 (3) | 0.0505 (14) | |
C19 | 0.9802 (8) | 0.1001 (3) | 0.6982 (3) | 0.0495 (15) | |
C20 | 0.9660 (8) | 0.1869 (3) | 0.7079 (3) | 0.0460 (13) | |
H1W2 | 1.292 (6) | 0.374 (3) | 0.716 (3) | 0.087* | |
H1W1 | 1.291 (6) | 0.433 (3) | 0.658 (3) | 0.087* | |
H2A | 0.6394 | 0.6065 | 0.7119 | 0.046* | |
H2B | 0.6753 | 0.6384 | 0.6283 | 0.046* | |
H4 | 0.0687 | 0.6361 | 0.6190 | 0.046* | |
H5 | 0.5700 | 0.6198 | 0.5116 | 0.050* | |
H7A | 0.6918 | 0.2979 | 0.8876 | 0.040* | |
H7B | 0.6598 | 0.3975 | 0.8827 | 0.040* | |
H9A | 0.5816 | 0.3395 | 1.0052 | 0.046* | |
H10A | 0.0790 | 0.3510 | 0.8973 | 0.047* | |
H11 | 0.9701 | 0.4795 | 0.5134 | 0.052* | |
H12 | 1.0034 | 0.4575 | 0.3845 | 0.058* | |
H13 | 1.0112 | 0.3181 | 0.3381 | 0.052* | |
H14 | 1.0018 | 0.2048 | 0.4233 | 0.044* | |
H17 | 1.0067 | 0.1036 | 0.5143 | 0.046* | |
H18 | 1.0085 | 0.0101 | 0.6169 | 0.061* | |
H19 | 0.9785 | 0.0632 | 0.7400 | 0.059* | |
H20 | 0.9570 | 0.2084 | 0.7573 | 0.055* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Cu1 | 0.0332 (3) | 0.0308 (2) | 0.0253 (2) | 0.0045 (3) | 0.0014 (3) | −0.0056 (3) |
N1 | 0.038 (2) | 0.0290 (19) | 0.0253 (18) | 0.0043 (18) | 0.0035 (15) | −0.0024 (16) |
N2 | 0.035 (2) | 0.0332 (17) | 0.0251 (19) | 0.0068 (16) | −0.0058 (18) | −0.0028 (16) |
O1 | 0.0284 (15) | 0.0320 (15) | 0.0435 (18) | 0.0071 (13) | −0.0020 (16) | −0.0065 (16) |
O2 | 0.052 (2) | 0.0399 (16) | 0.048 (2) | −0.0040 (18) | −0.013 (2) | −0.0076 (15) |
O3 | 0.0421 (17) | 0.0583 (19) | 0.0333 (16) | 0.0166 (17) | −0.0083 (17) | −0.0044 (16) |
O4 | 0.0381 (17) | 0.0492 (18) | 0.0293 (16) | −0.0008 (17) | 0.0037 (13) | −0.0099 (16) |
O5 | 0.0429 (19) | 0.076 (2) | 0.0359 (19) | 0.000 (2) | −0.0078 (18) | −0.0102 (17) |
O6 | 0.0322 (16) | 0.074 (2) | 0.0330 (18) | −0.0035 (19) | 0.0054 (17) | −0.0114 (15) |
O1W | 0.034 (2) | 0.068 (3) | 0.072 (3) | −0.0033 (19) | −0.0056 (19) | 0.0125 (19) |
C1 | 0.042 (3) | 0.030 (2) | 0.021 (2) | 0.001 (2) | −0.0006 (19) | −0.0030 (18) |
C2 | 0.037 (3) | 0.039 (2) | 0.039 (2) | 0.013 (2) | −0.018 (3) | −0.009 (2) |
C3 | 0.036 (2) | 0.028 (2) | 0.038 (2) | 0.009 (2) | −0.006 (2) | −0.006 (2) |
C4 | 0.033 (2) | 0.046 (3) | 0.035 (2) | 0.005 (3) | −0.0039 (18) | −0.010 (2) |
C5 | 0.025 (2) | 0.053 (2) | 0.047 (3) | 0.003 (3) | −0.003 (2) | 0.009 (3) |
C6 | 0.035 (3) | 0.033 (2) | 0.027 (3) | 0.009 (2) | 0.001 (2) | −0.0009 (19) |
C7 | 0.025 (2) | 0.037 (2) | 0.036 (3) | −0.0009 (18) | −0.0008 (18) | −0.0029 (19) |
C8 | 0.037 (3) | 0.036 (3) | 0.036 (3) | −0.001 (2) | 0.004 (2) | −0.005 (2) |
C9 | 0.026 (2) | 0.050 (3) | 0.040 (3) | 0.000 (2) | −0.001 (2) | 0.003 (2) |
C10 | 0.034 (2) | 0.046 (3) | 0.039 (3) | 0.002 (2) | −0.005 (2) | −0.005 (2) |
C11 | 0.058 (4) | 0.034 (2) | 0.039 (3) | 0.006 (2) | 0.011 (2) | 0.000 (2) |
C12 | 0.061 (4) | 0.046 (3) | 0.038 (3) | 0.011 (3) | 0.009 (2) | 0.014 (2) |
C13 | 0.041 (3) | 0.063 (3) | 0.025 (2) | 0.010 (2) | 0.003 (2) | 0.000 (2) |
C14 | 0.036 (3) | 0.040 (2) | 0.034 (3) | 0.008 (2) | 0.003 (2) | −0.010 (2) |
C15 | 0.018 (2) | 0.036 (2) | 0.025 (2) | 0.0027 (19) | −0.0011 (17) | −0.0051 (18) |
C16 | 0.023 (2) | 0.035 (2) | 0.030 (2) | 0.008 (2) | −0.0013 (18) | −0.0069 (18) |
C17 | 0.044 (3) | 0.031 (2) | 0.040 (3) | 0.001 (2) | 0.002 (2) | −0.004 (2) |
C18 | 0.059 (4) | 0.029 (2) | 0.064 (4) | 0.006 (2) | −0.005 (3) | 0.002 (2) |
C19 | 0.065 (4) | 0.037 (3) | 0.047 (3) | 0.014 (3) | −0.003 (3) | 0.010 (2) |
C20 | 0.059 (4) | 0.049 (3) | 0.030 (3) | 0.010 (3) | −0.005 (2) | 0.002 (2) |
Geometric parameters (Å, º) top
Cu1—N1 | 2.012 (3) | C5—H5 | 0.9300 |
Cu1—N2 | 2.021 (3) | C6—C7 | 1.504 (6) |
Cu1—O1 | 1.966 (3) | C7—H7A | 0.9700 |
Cu1—O4 | 1.964 (3) | C7—H7B | 0.9700 |
Cu1—O5 | 2.920 (3) | C8—C9 | 1.389 (6) |
O1—C1 | 1.259 (5) | C8—C10 | 1.373 (6) |
O2—C1 | 1.234 (5) | C9—C4ii | 1.365 (6) |
O4—C6 | 1.268 (5) | C9—H9A | 0.9300 |
O5—C6 | 1.229 (5) | C10—C5ii | 1.380 (6) |
Cu1—O1W | 2.241 (3) | C10—H10A | 0.9300 |
N1—C11 | 1.329 (5) | C11—C12 | 1.373 (6) |
N1—C15 | 1.356 (5) | C11—H11 | 0.9300 |
N2—C16 | 1.340 (5) | C12—C13 | 1.378 (6) |
N2—C20 | 1.338 (5) | C12—H12 | 0.9300 |
O3—C2 | 1.420 (5) | C13—C14 | 1.373 (6) |
O3—C3 | 1.375 (5) | C13—H13 | 0.9300 |
O6—C7 | 1.417 (5) | C14—C15 | 1.377 (6) |
O6—C8 | 1.371 (5) | C14—H14 | 0.9300 |
O1W—H1W1 | 0.84 (5) | C15—C16 | 1.475 (6) |
O1W—H1W2 | 0.84 (5) | C16—C17 | 1.395 (6) |
C1—C2 | 1.534 (5) | C17—C18 | 1.374 (6) |
C2—H2A | 0.9700 | C17—H17 | 0.9300 |
C2—H2B | 0.9700 | C18—C19 | 1.375 (7) |
C3—C4 | 1.374 (5) | C18—H18 | 0.9300 |
C3—C5 | 1.379 (6) | C19—C20 | 1.369 (6) |
C4—C9i | 1.365 (6) | C19—H19 | 0.9300 |
C4—H4 | 0.9300 | C20—H20 | 0.9300 |
C5—C10i | 1.380 (6) | | |
| | | |
N1—Cu1—N2 | 79.86 (14) | C4ii—C9—H9A | 119.6 |
N1—Cu1—O1W | 97.56 (14) | C5ii—C10—H10A | 119.7 |
N2—Cu1—O1W | 98.42 (13) | C6—O4—Cu1 | 114.5 (3) |
O1—Cu1—N1 | 94.78 (13) | C6—C7—H7A | 109.7 |
O1—Cu1—N2 | 168.65 (13) | C6—C7—H7B | 109.7 |
O1—Cu1—O1W | 92.17 (12) | C8—O6—C7 | 116.8 (3) |
O4—Cu1—N1 | 169.96 (14) | C8—C9—H9A | 119.6 |
O4—Cu1—N2 | 93.18 (14) | C8—C10—C5ii | 120.6 (4) |
O4—Cu1—O1 | 90.76 (14) | C8—C10—H10A | 119.7 |
O4—Cu1—O1W | 90.58 (14) | C9i—C4—C3 | 120.9 (4) |
Cu1—O1W—H1W1 | 118 (4) | C9i—C4—H4 | 119.5 |
Cu1—O1W—H1W2 | 120 (4) | C10i—C5—H5 | 119.7 |
N1—C11—C12 | 122.6 (4) | C10—C8—C9 | 118.4 (4) |
N1—C11—H11 | 118.7 | C11—N1—Cu1 | 125.7 (3) |
N1—C15—C14 | 121.3 (4) | C11—N1—C15 | 118.8 (4) |
N1—C15—C16 | 114.0 (4) | C11—C12—C13 | 118.7 (4) |
N2—C16—C15 | 114.8 (3) | C11—C12—H12 | 120.7 |
N2—C16—C17 | 121.4 (4) | C12—C11—H11 | 118.7 |
N2—C20—C19 | 123.0 (5) | C12—C13—H13 | 120.3 |
N2—C20—H20 | 118.5 | C13—C12—H12 | 120.7 |
O1—C1—C2 | 113.4 (4) | C13—C14—C15 | 119.2 (4) |
O2—C1—O1 | 127.5 (4) | C13—C14—H14 | 120.4 |
O2—C1—C2 | 119.1 (4) | C14—C13—C12 | 119.4 (4) |
O3—C2—C1 | 113.7 (3) | C14—C13—H13 | 120.3 |
O3—C2—H2A | 108.8 | C14—C15—C16 | 124.7 (4) |
O3—C2—H2B | 108.8 | C15—N1—Cu1 | 115.4 (3) |
O3—C3—C5 | 126.6 (4) | C15—C14—H14 | 120.4 |
O4—C6—C7 | 113.0 (4) | C16—N2—Cu1 | 115.3 (3) |
O5—C6—O4 | 126.1 (4) | C16—C17—H17 | 120.8 |
O5—C6—C7 | 120.9 (4) | C17—C16—C15 | 123.7 (4) |
O6—C7—C6 | 109.6 (3) | C17—C18—C19 | 120.1 (4) |
O6—C7—H7A | 109.7 | C17—C18—H18 | 120.0 |
O6—C7—H7B | 109.7 | C18—C17—C16 | 118.5 (4) |
O6—C8—C9 | 124.9 (4) | C18—C17—H17 | 120.8 |
O6—C8—C10 | 116.7 (4) | C18—C19—H19 | 120.9 |
C1—O1—Cu1 | 118.5 (3) | C19—C18—H18 | 120.0 |
C1—C2—H2A | 108.8 | C19—C20—H20 | 118.5 |
C1—C2—H2B | 108.8 | C20—N2—C16 | 118.8 (4) |
C3—O3—C2 | 119.1 (4) | C20—N2—Cu1 | 125.8 (3) |
C3—C4—H4 | 119.5 | C20—C19—C18 | 118.2 (5) |
C3—C5—C10i | 120.7 (4) | C20—C19—H19 | 120.9 |
C3—C5—H5 | 119.7 | H1W2—O1W—H1W1 | 110 (4) |
C4—C3—O3 | 114.8 (4) | H2A—C2—H2B | 107.7 |
C4—C3—C5 | 118.6 (4) | H7A—C7—H7B | 108.2 |
C4ii—C9—C8 | 120.8 (4) | | |
| | | |
Cu1—N1—C11—C12 | −175.7 (4) | O5—C6—C7—O6 | −11.1 (6) |
Cu1—N1—C15—C14 | 174.8 (3) | O6—C8—C9—C4ii | 179.0 (4) |
Cu1—N1—C15—C16 | −6.1 (4) | O6—C8—C10—C5ii | −177.8 (4) |
Cu1—N2—C16—C15 | 4.9 (4) | O1W—Cu1—N1—C11 | −79.6 (4) |
Cu1—N2—C16—C17 | −176.1 (3) | O1W—Cu1—N1—C15 | 104.0 (3) |
Cu1—N2—C20—C19 | 175.2 (4) | O1W—Cu1—N2—C16 | −102.5 (3) |
Cu1—O1—C1—O2 | −19.1 (6) | O1W—Cu1—N2—C20 | 81.4 (4) |
Cu1—O1—C1—C2 | 161.0 (3) | O1W—Cu1—O1—C1 | −179.2 (3) |
Cu1—O4—C6—O5 | 5.5 (6) | O1W—Cu1—O4—C6 | −178.3 (3) |
Cu1—O4—C6—C7 | −176.2 (3) | C2—O3—C3—C4 | 180.0 (4) |
N1—Cu1—N2—C16 | −6.3 (3) | C2—O3—C3—C5 | −2.6 (7) |
N1—Cu1—N2—C20 | 177.6 (4) | C3—O3—C2—C1 | −76.0 (5) |
N1—Cu1—O1—C1 | 83.0 (3) | C4—C3—C5—C10i | −0.2 (8) |
N1—Cu1—O4—C6 | −34.1 (10) | C5—C3—C4—C9i | 1.4 (8) |
N1—C11—C12—C13 | 1.3 (8) | C7—O6—C8—C9 | −16.9 (6) |
N1—C15—C16—N2 | 0.8 (5) | C7—O6—C8—C10 | 162.9 (4) |
N2—Cu1—N1—C11 | −176.9 (4) | C8—O6—C7—C6 | −169.8 (3) |
N2—Cu1—N1—C15 | 6.7 (3) | C9—C8—C10—C5ii | 2.0 (7) |
N2—Cu1—O1—C1 | 21.8 (9) | C10—C8—C9—C4ii | −0.8 (7) |
N2—Cu1—O4—C6 | −79.9 (3) | C11—N1—C15—C14 | −1.9 (6) |
N2—C16—C17—C18 | −0.1 (6) | C11—N1—C15—C16 | 177.3 (4) |
O1—Cu1—N1—C11 | 13.2 (4) | C11—C12—C13—C14 | −1.8 (8) |
O1—Cu1—N1—C15 | −163.2 (3) | C12—C13—C14—C15 | 0.6 (7) |
O1—Cu1—N2—C16 | 56.3 (9) | C13—C14—C15—N1 | 1.3 (6) |
O1—Cu1—N2—C20 | −119.8 (7) | C13—C14—C15—C16 | −177.8 (4) |
O1—Cu1—O4—C6 | 89.5 (3) | C14—C15—C16—N2 | 179.9 (4) |
O1—C1—C2—O3 | −172.0 (4) | C14—C15—C16—C17 | 0.9 (6) |
O2—C1—C2—O3 | 8.1 (6) | C15—N1—C11—C12 | 0.6 (7) |
O3—C3—C4—C9i | 179.0 (4) | C15—C16—C17—C18 | 178.8 (4) |
O3—C3—C5—C10i | −177.6 (4) | C16—N2—C20—C19 | −0.8 (7) |
O4—Cu1—N1—C11 | 136.5 (7) | C16—C17—C18—C19 | 0.5 (7) |
O4—Cu1—N1—C15 | −39.9 (9) | C17—C18—C19—C20 | −0.9 (8) |
O4—Cu1—N2—C16 | 166.4 (3) | C18—C19—C20—N2 | 1.1 (9) |
O4—Cu1—N2—C20 | −9.7 (4) | C20—N2—C16—C15 | −178.7 (4) |
O4—Cu1—O1—C1 | −88.6 (3) | C20—N2—C16—C17 | 0.3 (6) |
O4—C6—C7—O6 | 170.5 (3) | | |
Symmetry codes: (i) −x+1/2, −y+1, z−1/2; (ii) −x+1/2, −y+1, z+1/2. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
O1W—H1W1···O2iii | 0.84 (5) | 2.10 (3) | 2.874 (5) | 152 (4) |
O1W—H1W2···O5iii | 0.84 (5) | 2.11 (3) | 2.843 (5) | 145 (4) |
Symmetry code: (iii) x+1, y, z. |