Poly­[[tri­aqua­cadmium(II)-μ3-lactato] dilactatoboron(1–)]

Akkurt, M.; Öztürk Yıldırım, S.; Ramajothi, J.; Büyükgüngör, O.; Dhanuskodi, S.

doi:10.1107/S1600536805005970

Poly[[triaquacadmium(II)-μ₃-lactato] dilactatoboron(1–)]

M. Akkurt, S. Öztürk Yıldırım, J. Ramajothi, O. Büyükgüngör and S. Dhanuskodi

In the title compound, {[Cd(C₃H₅O₃)(H₂O)₃](C₆H₈BO₆)}_n, the Cd atom is seven-coordinate. The Cd—O distances range from 2.290 (3) to 2.518 (2) Å. The structure is stabilized by a network of O—H

O and C—H

O hydrogen bonds involving the H atoms of the lactate in the cation and the O atoms of the borodilactate anion.

Read article Similar articles

Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805005970/is6052sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536805005970/is6052Isup2.hkl Contains datablock I

CCDC reference: 270454

checkCIF report

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.005 Å
R factor = 0.024
wR factor = 0.052
Data-to-parameter ratio = 16.5

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.45 Ratio
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O7
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Cd1
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C8
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C2
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.07

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           27.18
           From the CIF: _reflns_number_total               3908
           Count of symmetry unique reflns         2286
           Completeness (_total/calc)            170.95%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      1622
           Fraction of Friedel pairs measured     0.710
           Are heavy atom types Z>Si present          yes

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   6 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
   5 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: X-AREA (Stoe & Cie, 2002); cell refinement: X-AREA; data reduction: X-RED32 (Stoe & Cie, 2002); program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).

Poly[[triaquacadmium(II)-µ₃-lactato] dilactatoboron(1-)] top

Crystal data top

[Cd(C₃H₅O₃)(H₂O)₃](C₆H₈BO₆)	F(000) = 888
M_r = 442.46	D_x = 1.636 Mg m⁻³
Orthorhombic, P2₁2₁2₁	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2ac 2ab	Cell parameters from 21782 reflections
a = 8.424 (5) Å	θ = 1.9–27.1°
b = 10.184 (5) Å	µ = 1.27 mm⁻¹
c = 20.943 (5) Å	T = 293 K
V = 1796.7 (14) Å³	Block, colorless
Z = 4	0.44 × 0.39 × 0.29 mm

Data collection top

Stoe IPDS-II diffractometer	3908 independent reflections
Radiation source: sealed X-ray tube, 12 x 0.4 mm long-fine focus	3314 reflections with I > 2σ(I)
Plane graphite monochromator	R_int = 0.048
Detector resolution: 6.67 pixels mm^-1	θ_max = 27.2°, θ_min = 1.9°
ω scans	h = −10→10
Absorption correction: integration (X-RED32; Stoe & Cie, 2002)	k = −13→13
T_min = 0.605, T_max = 0.710	l = −26→26
23149 measured reflections

Refinement top

Refinement on F²	Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full	H atoms treated by a mixture of independent and constrained refinement
R[F² > 2σ(F²)] = 0.024	w = 1/[σ²(F_o²) + (0.0308P)²] where P = (F_o² + 2F_c²)/3
wR(F²) = 0.052	(Δ/σ)_max = 0.001
S = 0.93	Δρ_max = 0.42 e Å⁻³
3908 reflections	Δρ_min = −0.33 e Å⁻³
237 parameters	Extinction correction: SHELXL97, FC^*=KFC[1+0.001XFC²Λ³/SIN(2Θ)]^-1/4
2 restraints	Extinction coefficient: 0.0266 (7)
Primary atom site location: structure-invariant direct methods	Absolute structure: Flack H.D. (1983), 1622 Freidel pairs
Secondary atom site location: difference Fourier map	Absolute structure parameter: −0.01 (2)

Special details top

Geometry. Bond distances, angles etc. have been calculated using the rounded fractional coordinates. All su's are estimated from the variances of the (full) variance-covariance matrix. The cell e.s.d.'s are taken into account in the estimation of distances, angles and torsion angles

Refinement. Refinement on F^{2 for ALL reflections except those flagged by the user
for potential systematic errors. Weighted} ^R^-factors ^wR ^{and all goodnesses of fit} ^S ^{are based on} ^F2, conventional R-factors R are based on F, with F set to zero for negative F^{2. The observed criterion of} ^F2 > σ(F^{2) is used only for calculating -}^R^-factor-obs ^etc^{. and is not relevant to the choice of reflections for
refinement.} ^R^{-factors based on} ^F2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
Cd1	0.39565 (3)	1.16592 (2)	0.47622 (1)	0.0470 (1)
O7	0.5386 (3)	1.0173 (3)	0.41388 (14)	0.0723 (10)
O8	0.9068 (3)	1.1581 (3)	0.45130 (12)	0.0772 (9)
O9	0.6659 (2)	1.20439 (19)	0.47974 (10)	0.0512 (6)
O10	0.3992 (5)	1.0190 (3)	0.55945 (13)	0.0755 (10)
O11	0.3919 (5)	1.3086 (3)	0.39172 (15)	0.0780 (11)
O12	0.1930 (3)	1.0494 (3)	0.43437 (13)	0.0612 (9)
C7	0.7602 (5)	1.0274 (5)	0.34145 (19)	0.0840 (16)
C8	0.7050 (3)	1.0202 (3)	0.40946 (14)	0.0459 (9)
C9	0.7612 (3)	1.1352 (3)	0.44931 (15)	0.0472 (10)
O1	0.1921 (4)	0.5246 (3)	0.3802 (2)	0.1280 (19)
O2	0.1833 (3)	0.7044 (2)	0.32076 (16)	0.0793 (10)
O3	0.4110 (3)	0.80902 (18)	0.35640 (10)	0.0570 (7)
O4	0.3233 (3)	0.9322 (3)	0.15389 (12)	0.0770 (10)
O5	0.3489 (3)	0.8163 (2)	0.24304 (10)	0.0616 (8)
O6	0.2017 (3)	0.9432 (2)	0.31277 (11)	0.0610 (8)
C1	0.4208 (9)	0.6934 (6)	0.4566 (2)	0.137 (3)
C2	0.4039 (5)	0.6836 (3)	0.38512 (17)	0.0680 (11)
C3	0.2487 (5)	0.6289 (4)	0.3620 (3)	0.0787 (16)
C4	0.2292 (7)	1.1406 (4)	0.2499 (2)	0.100 (2)
C5	0.1861 (4)	0.9968 (4)	0.25099 (15)	0.0615 (11)
C6	0.2925 (4)	0.9128 (4)	0.21004 (16)	0.0577 (11)
B1	0.2865 (4)	0.8221 (4)	0.31003 (17)	0.0538 (11)
H7	0.485 (5)	0.959 (4)	0.396 (2)	0.091 (16)*
H7A	0.72170	0.95240	0.31840	0.1260*
H7B	0.87420	1.02830	0.34030	0.1260*
H7C	0.72020	1.10610	0.32210	0.1260*
H8	0.74680	0.93930	0.42840	0.0550*
H101	0.355 (9)	1.042 (5)	0.5928 (15)	0.19 (4)*
H102	0.483 (5)	1.003 (4)	0.5767 (19)	0.068 (12)*
H111	0.328 (5)	1.370 (4)	0.397 (2)	0.072 (14)*
H112	0.471 (5)	1.334 (5)	0.3808 (19)	0.068 (13)*
H121	0.207 (6)	1.031 (5)	0.397 (3)	0.11 (2)*
H122	0.102 (6)	1.090 (4)	0.435 (2)	0.089 (14)*
H1A	0.52350	0.72820	0.46690	0.2050*
H1B	0.40950	0.60770	0.47520	0.2050*
H1C	0.34000	0.75050	0.47320	0.2050*
H2	0.49050	0.62950	0.36830	0.0810*
H4A	0.15700	1.18870	0.27650	0.1500*
H4B	0.22270	1.17290	0.20690	0.1500*
H4C	0.33550	1.15170	0.26560	0.1500*
H5	0.07600	0.98650	0.23670	0.0740*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Cd1	0.0336 (1)	0.0557 (1)	0.0517 (1)	0.0004 (1)	0.0021 (1)	−0.0106 (1)
O7	0.0356 (11)	0.0792 (18)	0.102 (2)	−0.0101 (12)	0.0109 (12)	−0.0503 (17)
O8	0.0337 (11)	0.0922 (16)	0.1057 (17)	−0.0042 (17)	−0.0007 (13)	−0.0489 (16)
O9	0.0338 (9)	0.0580 (12)	0.0618 (11)	−0.0008 (8)	0.0012 (10)	−0.0199 (10)
O10	0.0640 (15)	0.102 (2)	0.0606 (14)	0.020 (2)	0.0030 (17)	0.0081 (14)
O11	0.0622 (16)	0.075 (2)	0.0968 (19)	0.0012 (18)	0.0187 (19)	0.0189 (14)
O12	0.0377 (13)	0.0797 (18)	0.0661 (16)	−0.0007 (12)	0.0012 (12)	−0.0254 (13)
C7	0.088 (3)	0.096 (3)	0.068 (2)	−0.021 (2)	0.023 (2)	−0.026 (2)
C8	0.0345 (15)	0.0477 (17)	0.0556 (17)	0.0028 (13)	−0.0003 (13)	−0.0078 (14)
C9	0.0296 (13)	0.056 (2)	0.0559 (16)	0.0024 (12)	−0.0031 (12)	−0.0085 (14)
O1	0.0669 (18)	0.069 (2)	0.248 (5)	−0.0061 (17)	0.035 (3)	0.055 (3)
O2	0.0550 (14)	0.0548 (15)	0.128 (2)	−0.0093 (12)	−0.0011 (16)	0.0053 (15)
O3	0.0690 (14)	0.0446 (12)	0.0575 (11)	−0.0100 (12)	−0.0042 (11)	0.0036 (9)
O4	0.0696 (15)	0.113 (2)	0.0485 (14)	0.0093 (16)	0.0004 (12)	−0.0037 (14)
O5	0.0683 (16)	0.0637 (14)	0.0529 (11)	0.0126 (11)	−0.0003 (10)	−0.0126 (11)
O6	0.0743 (16)	0.0559 (13)	0.0527 (13)	0.0115 (12)	0.0088 (12)	−0.0041 (10)
C1	0.207 (7)	0.125 (4)	0.079 (3)	−0.017 (5)	−0.015 (4)	0.049 (3)
C2	0.071 (2)	0.0530 (19)	0.080 (2)	−0.002 (2)	0.012 (2)	0.0152 (17)
C3	0.057 (2)	0.056 (2)	0.123 (4)	−0.0026 (18)	0.025 (2)	0.013 (2)
C4	0.147 (5)	0.058 (3)	0.096 (3)	0.008 (3)	0.020 (3)	0.007 (2)
C5	0.0605 (18)	0.071 (2)	0.0531 (18)	0.013 (2)	0.0011 (16)	−0.0006 (17)
C6	0.0493 (19)	0.074 (2)	0.0497 (19)	−0.0024 (17)	−0.0039 (15)	−0.0103 (17)
B1	0.055 (2)	0.050 (2)	0.0565 (19)	−0.0040 (19)	0.0019 (16)	−0.0066 (19)

Geometric parameters (Å, º) top

Cd1—O7	2.334 (3)	O5—C6	1.292 (4)
Cd1—O9	2.311 (2)	O5—B1	1.499 (4)
Cd1—O10	2.297 (3)	O6—B1	1.426 (5)
Cd1—O11	2.290 (3)	O6—C5	1.410 (4)
Cd1—O12	2.256 (3)	C7—C8	1.500 (5)
Cd1—O8ⁱ	2.351 (3)	C8—C9	1.514 (4)
Cd1—O9ⁱ	2.518 (2)	C7—H7A	0.9600
O7—C8	1.405 (4)	C7—H7B	0.9600
O8—C9	1.249 (4)	C7—H7C	0.9600
O9—C9	1.244 (4)	C8—H8	0.9800
O7—H7	0.84 (4)	C1—C2	1.507 (6)
O10—H101	0.83 (4)	C2—C3	1.501 (6)
O10—H102	0.81 (4)	C4—C5	1.509 (6)
O11—H112	0.75 (4)	C5—C6	1.507 (5)
O11—H111	0.83 (4)	C1—H1A	0.9600
O12—H122	0.87 (5)	C1—H1B	0.9600
O12—H121	0.81 (6)	C1—H1C	0.9600
O1—C3	1.225 (5)	C2—H2	0.9800
O2—C3	1.281 (6)	C4—H4A	0.9600
O2—B1	1.498 (5)	C4—H4B	0.9600
O3—C2	1.413 (4)	C4—H4C	0.9600
O3—B1	1.436 (4)	C5—H5	0.9800
O4—C6	1.220 (4)

Cd1···O8ⁱⁱ	4.152 (4)	O7···H121	2.82 (5)
Cd1···H122ⁱⁱⁱ	3.56 (4)	O8···H7B	2.6900
O1···O11^iv	2.780 (5)	O8···H122^viii	1.82 (5)
O1···O10^v	2.808 (6)	O9···H122ⁱⁱⁱ	2.80 (4)
O2···O3	2.318 (4)	O12···H7	2.75 (4)
O3···O7	2.665 (4)	C1···H7	3.04 (4)
O3···O2	2.318 (4)	C2···H7	2.90 (4)
O4···O10^vi	2.770 (5)	C3···H102^v	2.91 (4)
O4···O11^vii	2.873 (5)	C3···H111^iv	2.82 (4)
O5···O6	2.311 (3)	C5···H121	3.08 (6)
O6···O12	2.768 (4)	C6···H101^vi	2.79 (4)
O6···O5	2.311 (3)	C6···H112^vii	2.87 (4)
O7···C9	2.347 (4)	C9···H122^viii	2.92 (5)
O7···O3	2.665 (4)	B1···H7	2.83 (4)
O7···O12	2.961 (4)	B1···H121	2.88 (6)
O7···O9	2.585 (4)	H1B···H8^v	2.4900
O8···Cd1^viii	4.152 (4)	H1B···O1	2.8300
O8···O12^viii	2.677 (4)	H2···O4^vii	2.5900
O8···O9ⁱⁱⁱ	2.968 (4)	H4B···O4	2.8200
O9···O7	2.585 (4)	H7···C2	2.90 (4)
O9···C8	2.407 (4)	H7···O3	1.85 (4)
O9···O11	3.139 (5)	H7···C1	3.04 (4)
O9···O8ⁱ	2.968 (4)	H7···H121	2.45 (7)
O9···O12ⁱⁱⁱ	3.094 (4)	H7···B1	2.83 (4)
O10···O4^ix	2.770 (5)	H7···H7A	2.5700
O10···O12	3.158 (5)	H7A···H7	2.5700
O10···O1^x	2.808 (6)	H7B···O8	2.6900
O11···O9	3.139 (5)	H7C···O5^xi	2.6000
O11···O4^xi	2.873 (5)	H8···H1B^x	2.4900
O11···O1^xii	2.780 (5)	H101···C6^ix	2.79 (5)
O12···O10	3.158 (5)	H101···O4^ix	1.99 (6)
O12···O6	2.768 (4)	H102···C3^x	2.91 (4)
O12···O8ⁱⁱ	2.677 (4)	H102···O1^x	2.00 (4)
O12···O9ⁱ	3.094 (4)	H111···O1^xii	1.98 (4)
O12···O7	2.961 (4)	H111···C3^xii	2.82 (4)
O1···H102^v	2.00 (4)	H112···C6^xi	2.87 (4)
O1···H1B	2.8300	H112···O4^xi	2.13 (4)
O1···H111^iv	1.98 (4)	H121···B1	2.88 (6)
O3···H7	1.85 (4)	H121···H7	2.45 (7)
O4···H112^vii	2.13 (4)	H121···O6	1.98 (6)
O4···H101^vi	1.99 (6)	H121···C5	3.08 (6)
O4···H4B	2.8200	H122···Cd1ⁱ	3.56 (4)
O4···H2^xi	2.5900	H122···O8ⁱⁱ	1.82 (5)
O5···H7C^vii	2.6000	H122···C9ⁱⁱ	2.92 (5)
O6···H121	1.98 (6)

O7—Cd1—O9	67.64 (8)	O9—C9—C8	121.3 (2)
O7—Cd1—O10	89.73 (11)	C8—C7—H7A	110.00
O7—Cd1—O11	89.22 (11)	C8—C7—H7B	110.00
O7—Cd1—O12	80.33 (10)	C8—C7—H7C	109.00
O7—Cd1—O8ⁱ	146.64 (9)	H7A—C7—H7B	109.00
O7—Cd1—O9ⁱ	160.35 (8)	H7A—C7—H7C	109.00
O9—Cd1—O10	94.21 (12)	H7B—C7—H7C	109.00
O9—Cd1—O11	86.03 (12)	C7—C8—H8	108.00
O9—Cd1—O12	147.87 (9)	C9—C8—H8	108.00
O8ⁱ—Cd1—O9	79.09 (8)	O7—C8—H8	108.00
O9—Cd1—O9ⁱ	131.03 (7)	O3—C2—C1	111.0 (3)
O10—Cd1—O11	178.75 (11)	O3—C2—C3	103.6 (3)
O10—Cd1—O12	87.83 (12)	C1—C2—C3	115.3 (4)
O8ⁱ—Cd1—O10	90.35 (10)	O1—C3—O2	124.3 (4)
O9ⁱ—Cd1—O10	94.23 (10)	O1—C3—C2	124.1 (4)
O11—Cd1—O12	91.32 (12)	O2—C3—C2	111.7 (3)
O8ⁱ—Cd1—O11	90.91 (10)	O6—C5—C4	111.5 (3)
O9ⁱ—Cd1—O11	86.54 (11)	O6—C5—C6	104.3 (3)
O8ⁱ—Cd1—O12	133.01 (9)	C4—C5—C6	113.5 (3)
O9ⁱ—Cd1—O12	80.60 (8)	O4—C6—O5	124.1 (3)
O8ⁱ—Cd1—O9ⁱ	52.72 (8)	O4—C6—C5	125.7 (3)
Cd1—O7—C8	122.6 (2)	O5—C6—C5	110.3 (3)
Cd1ⁱⁱⁱ—O8—C9	97.2 (2)	C2—C1—H1B	109.00
Cd1—O9—C9	121.56 (18)	C2—C1—H1C	109.00
Cd1—O9—Cd1ⁱⁱⁱ	149.06 (9)	H1A—C1—H1B	110.00
Cd1ⁱⁱⁱ—O9—C9	89.35 (15)	H1A—C1—H1C	110.00
C8—O7—H7	122 (3)	H1B—C1—H1C	109.00
Cd1—O7—H7	116 (3)	C2—C1—H1A	109.00
Cd1—O10—H101	117 (3)	O3—C2—H2	109.00
Cd1—O10—H102	119 (3)	C3—C2—H2	109.00
H101—O10—H102	94 (6)	C1—C2—H2	109.00
Cd1—O11—H111	113 (3)	C5—C4—H4B	109.00
Cd1—O11—H112	116 (3)	C5—C4—H4C	109.00
H111—O11—H112	111 (5)	H4A—C4—H4C	109.00
H121—O12—H122	105 (5)	H4B—C4—H4C	110.00
Cd1—O12—H122	114 (3)	H4A—C4—H4B	109.00
Cd1—O12—H121	113 (4)	C5—C4—H4A	110.00
C3—O2—B1	109.4 (3)	C4—C5—H5	109.00
C2—O3—B1	109.9 (3)	C6—C5—H5	109.00
C6—O5—B1	110.0 (3)	O6—C5—H5	109.00
C5—O6—B1	110.1 (3)	O2—B1—O6	113.3 (3)
O7—C8—C9	107.0 (2)	O3—B1—O6	114.8 (3)
O7—C8—C7	111.9 (3)	O5—B1—O6	104.3 (3)
C7—C8—C9	112.9 (3)	O3—B1—O5	111.9 (3)
O8—C9—C8	118.0 (3)	O2—B1—O3	104.4 (3)
O8—C9—O9	120.7 (3)	O2—B1—O5	108.2 (3)

O9—Cd1—O7—C8	1.0 (2)	Cd1—O9—C9—C8	−1.3 (4)
O10—Cd1—O7—C8	−93.6 (3)	Cd1ⁱⁱⁱ—O9—C9—C8	177.2 (3)
O11—Cd1—O7—C8	87.1 (3)	Cd1—O9—C9—O8	179.4 (2)
O12—Cd1—O7—C8	178.5 (3)	Cd1ⁱⁱⁱ—O9—C9—O8	−2.1 (3)
O8ⁱ—Cd1—O7—C8	−3.4 (4)	C3—O2—B1—O6	−131.7 (4)
O9—Cd1ⁱⁱⁱ—O8—C9	−1.22 (18)	C3—O2—B1—O3	−6.2 (4)
O7ⁱⁱⁱ—Cd1ⁱⁱⁱ—O8—C9	173.7 (2)	C3—O2—B1—O5	113.2 (4)
O9ⁱⁱⁱ—Cd1ⁱⁱⁱ—O8—C9	169.5 (2)	B1—O2—C3—C2	0.1 (5)
O10ⁱⁱⁱ—Cd1ⁱⁱⁱ—O8—C9	−96.3 (2)	B1—O2—C3—O1	−179.7 (5)
O11ⁱⁱⁱ—Cd1ⁱⁱⁱ—O8—C9	83.7 (2)	B1—O3—C2—C1	−134.3 (4)
O12ⁱⁱⁱ—Cd1ⁱⁱⁱ—O8—C9	−8.9 (3)	B1—O3—C2—C3	−10.0 (4)
O7—Cd1—O9—C9	0.2 (2)	C2—O3—B1—O2	10.1 (3)
O10—Cd1—O9—C9	88.2 (2)	C2—O3—B1—O5	−106.7 (3)
O11—Cd1—O9—C9	−90.6 (2)	C2—O3—B1—O6	134.7 (3)
O12—Cd1—O9—C9	−4.4 (3)	C6—O5—B1—O6	−6.5 (3)
O8ⁱ—Cd1—O9—C9	177.7 (2)	B1—O5—C6—C5	0.6 (4)
O9ⁱ—Cd1—O9—C9	−172.5 (2)	C6—O5—B1—O3	−131.1 (3)
O7—Cd1—O9—Cd1ⁱⁱⁱ	−176.9 (2)	B1—O5—C6—O4	−179.9 (3)
O10—Cd1—O9—Cd1ⁱⁱⁱ	−88.97 (19)	C6—O5—B1—O2	114.4 (3)
O11—Cd1—O9—Cd1ⁱⁱⁱ	92.27 (19)	C5—O6—B1—O5	10.1 (3)
O12—Cd1—O9—Cd1ⁱⁱⁱ	178.42 (17)	C5—O6—B1—O3	132.9 (3)
O8ⁱ—Cd1—O9—Cd1ⁱⁱⁱ	0.58 (18)	B1—O6—C5—C6	−9.7 (4)
O9ⁱ—Cd1—O9—Cd1ⁱⁱⁱ	10.4 (2)	B1—O6—C5—C4	−132.6 (3)
O8—Cd1ⁱⁱⁱ—O9—Cd1	178.8 (2)	C5—O6—B1—O2	−107.4 (3)
O9ⁱⁱⁱ—Cd1ⁱⁱⁱ—O9—Cd1	166.68 (15)	C7—C8—C9—O8	−55.2 (4)
O10ⁱⁱⁱ—Cd1ⁱⁱⁱ—O9—Cd1	−94.0 (2)	C7—C8—C9—O9	125.5 (3)
O11ⁱⁱⁱ—Cd1ⁱⁱⁱ—O9—Cd1	85.0 (2)	O7—C8—C9—O9	2.0 (4)
O12ⁱⁱⁱ—Cd1ⁱⁱⁱ—O9—Cd1	−6.92 (18)	O7—C8—C9—O8	−178.7 (3)
O8—Cd1ⁱⁱⁱ—O9—C9	1.21 (18)	C1—C2—C3—O2	127.6 (5)
O9ⁱⁱⁱ—Cd1ⁱⁱⁱ—O9—C9	−10.9 (2)	C1—C2—C3—O1	−52.7 (6)
O10ⁱⁱⁱ—Cd1ⁱⁱⁱ—O9—C9	88.43 (19)	O3—C2—C3—O2	6.1 (5)
O11ⁱⁱⁱ—Cd1ⁱⁱⁱ—O9—C9	−92.57 (19)	O3—C2—C3—O1	−174.2 (5)
O12ⁱⁱⁱ—Cd1ⁱⁱⁱ—O9—C9	175.52 (19)	O6—C5—C6—O4	−173.9 (3)
Cd1—O7—C8—C9	−1.8 (3)	O6—C5—C6—O5	5.6 (4)
Cd1—O7—C8—C7	−125.9 (3)	C4—C5—C6—O4	−52.3 (5)
Cd1ⁱⁱⁱ—O8—C9—O9	2.3 (3)	C4—C5—C6—O5	127.2 (3)
Cd1ⁱⁱⁱ—O8—C9—C8	−177.1 (2)

Symmetry codes: (i) x−1/2, −y+5/2, −z+1; (ii) x−1, y, z; (iii) x+1/2, −y+5/2, −z+1; (iv) x, y−1, z; (v) x−1/2, −y+3/2, −z+1; (vi) −x+1/2, −y+2, z−1/2; (vii) −x+1, y−1/2, −z+1/2; (viii) x+1, y, z; (ix) −x+1/2, −y+2, z+1/2; (x) x+1/2, −y+3/2, −z+1; (xi) −x+1, y+1/2, −z+1/2; (xii) x, y+1, z.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O7—H7···O3	0.84 (4)	1.85 (4)	2.665 (4)	167 (4)
O10—H101···O4^ix	0.83 (4)	1.99 (6)	2.770 (5)	157 (7)
O10—H102···O1^x	0.81 (4)	2.00 (4)	2.808 (6)	177 (4)
O11—H111···O1^xii	0.83 (4)	1.98 (4)	2.780 (5)	162 (4)
O11—H112···O4^xi	0.75 (4)	2.13 (4)	2.873 (5)	171 (5)
O12—H121···O6	0.81 (6)	1.98 (6)	2.768 (4)	164 (5)
O12—H122···O8ⁱⁱ	0.87 (5)	1.82 (5)	2.677 (4)	169 (4)
C2—H2···O4^vii	0.98	2.59	3.536 (5)	162

Symmetry codes: (ii) x−1, y, z; (vii) −x+1, y−1/2, −z+1/2; (ix) −x+1/2, −y+2, z+1/2; (x) x+1/2, −y+3/2, −z+1; (xi) −x+1, y+1/2, −z+1/2; (xii) x, y+1, z.

Format		BIBTeX
		EndNote
		RefMan
		Refer
		Medline
		CIF
		SGML
		Text
		Plain Text

Format		BIBTeX
		EndNote
		RefMan
		Refer
		Medline
		CIF
		SGML
		Text
		Plain Text

Search IUCr Journals		doi		Advanced search
Author		volume	page

Poly­[[tri­aqua­cadmium(II)-μ3-lactato] dilactatoboron(1–)]

Supporting information

Key indicators

checkCIF/PLATON results

Poly[[triaquacadmium(II)-μ₃-lactato] dilactatoboron(1–)]