catena-Poly[trimethyl­ammonium [[diaqua­bis(dichloro­acetato-κ²O,O′)gadolinium(III)]-di-μ-dichloro­acetato-κ⁴O:O′] dichloro­acetate]

The title compound, {(C₃H₁₀N)[Gd(C₂HCl₂O₂)₃(H₂O)₂](C₂HCl₂O₂)}_n, was synthesized by the reaction of Gd₂O₃ with trimethyl­ammonium chloride in an aqueous solution of dichloro­acetic acid. The compound consists of chains, running along the a axis. The Gd³⁺ ions are coordinated by eight O atoms, giving a distorted square anti­prism.

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean [sigma](C-C) = 0.007 Å
• R factor = 0.034
• wR factor = 0.087
• Data-to-parameter ratio = 16.5

checkCIF/PLATON results

No syntax errors found





Alert level B
PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low .......       0.95
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for        C12

Alert level C
ABSTM02_ALERT_3_C  The ratio of Tmax/Tmin expected RT(exp) is > 1.10
            Absorption corrections should be applied.
            Tmin and Tmax expected:      0.359     0.415
            RT(exp) =      1.155
PLAT022_ALERT_3_C Ratio Unique / Expected Reflections too Low ....       0.94
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT057_ALERT_3_C Correction for Absorption Required   RT(exp) ...       1.15
PLAT063_ALERT_3_C Crystal Probably too Large for Beam Size .......       0.67 mm
PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature        293 K
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        O31
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C21
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C22
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C31
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C32
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         N1
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        C41
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        C42
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.32

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

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

---

Computing details

Data collection: IPDS Software (Stoe & Cie, 1998); cell refinement: IPDS Software; data reduction: IPDS Software; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Brandenburg, 2001); software used to prepare material for publication: SHELXL97.

catena-Poly[trimethylammonium [[diaquabis(dichloroacetato- κ²O,O')gadolinium(III)]-di-µ-dichloroacetato-κ⁴O:O'] dichloroacetate]

Crystal data

(C3H10N)[Gd(C2HCl2O2)3(H2O)2](C2HCl2O2)	F(000) = 1484
Mr = 765.11	Dx = 1.937 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 8001 reflections
a = 9.401 (3) Å	θ = 2.5–25.9°
b = 16.562 (3) Å	µ = 3.39 mm^−1
c = 16.868 (5) Å	T = 293 K
β = 92.74 (3)°	Needle, colourless
V = 2623.4 (12) Å^3	0.67 × 0.26 × 0.26 mm
Z = 4

Data collection

Stoe IPDS diffractometer	3728 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.080
Graphite monochromator	θmax = 26.0°, θmin = 2.4°
Detector resolution: 0 pixels mm^-1	h = −10→10
φ scans	k = −20→20
36838 measured reflections	l = −20→20
4859 independent 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)] = 0.035	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.087	H-atom parameters constrained
S = 0.95	w = 1/[σ^2(Fo^2) + (0.0567P)^2] where P = (Fo^2 + 2Fc^2)/3
4859 reflections	(Δ/σ)max = 0.001
295 parameters	Δρmax = 0.71 e Å^−3
6 restraints	Δρmin = −1.03 e Å^−3

Special details

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

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) 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 (Ų)

	x	y	z	Uiso*/Ueq
Gd1	0.75753 (2)	0.507344 (11)	0.018840 (12)	0.03422 (9)
O11	0.8215 (4)	0.5202 (2)	−0.12528 (19)	0.0471 (8)
O12	0.6658 (4)	0.4260 (2)	−0.09837 (18)	0.0472 (8)
C11	0.7389 (5)	0.4639 (3)	−0.1463 (3)	0.0443 (11)
C12	0.7203 (7)	0.4397 (4)	−0.2336 (3)	0.0646 (16)
H12	0.6200	0.4475	−0.2504	0.077*
Cl11	0.8230 (3)	0.49616 (15)	−0.29647 (12)	0.1237 (10)
Cl12	0.7601 (4)	0.33755 (14)	−0.24377 (13)	0.1383 (11)
O21	0.6593 (4)	0.38861 (19)	0.0772 (2)	0.0497 (9)
O22	0.4428 (4)	0.4268 (2)	0.0393 (2)	0.0522 (9)
C21	0.5288 (5)	0.3806 (2)	0.0752 (3)	0.0362 (10)
C22	0.4616 (6)	0.3123 (3)	0.1204 (3)	0.0545 (13)
H22	0.3662	0.3016	0.0967	0.065*
Cl21	0.5624 (3)	0.22305 (9)	0.11854 (13)	0.1036 (7)
Cl22	0.4457 (3)	0.34716 (11)	0.21939 (10)	0.0956 (7)
O31	0.9507 (4)	0.4199 (2)	−0.0031 (2)	0.0563 (10)
O32	1.1537 (4)	0.3560 (2)	−0.0078 (2)	0.0536 (9)
C31	1.0241 (5)	0.3567 (3)	0.0028 (2)	0.0392 (11)
C32	0.9473 (7)	0.2812 (3)	0.0248 (4)	0.0589 (15)
H32	0.8668	0.2961	0.0565	0.071*
Cl31	1.0592 (2)	0.21482 (10)	0.08091 (12)	0.0903 (6)
Cl32	0.8813 (2)	0.23394 (12)	−0.06263 (16)	0.1104 (8)
O41	0.7994 (5)	0.4754 (2)	0.2907 (2)	0.0560 (10)
O42	0.6560 (5)	0.5815 (2)	0.2743 (2)	0.0703 (13)
C41	0.7156 (6)	0.5271 (3)	0.3143 (3)	0.0449 (12)
C42	0.6768 (7)	0.5256 (3)	0.4012 (3)	0.0571 (15)
H42	0.6369	0.5782	0.4147	0.069*
Cl41	0.8216 (3)	0.50513 (15)	0.46685 (12)	0.1209 (10)
Cl42	0.5452 (3)	0.45182 (17)	0.41037 (13)	0.1280 (10)
O1W	0.8903 (4)	0.4977 (2)	0.1420 (2)	0.0536 (9)
H11W	0.863 (6)	0.491 (3)	0.1977 (18)	0.080*
H12W	0.994 (2)	0.489 (3)	0.149 (4)	0.080*
O2W	0.6285 (4)	0.5714 (2)	0.11893 (19)	0.0439 (8)
H21W	0.527 (2)	0.578 (3)	0.107 (3)	0.066*
H22W	0.643 (5)	0.574 (3)	0.1767 (12)	0.066*
N1	0.8838 (6)	0.3224 (3)	0.3349 (3)	0.0691 (14)
H1	0.8588	0.3755	0.3341	0.083*
C1A	0.9055 (15)	0.2980 (5)	0.2533 (5)	0.152 (5)
H1A	0.9854	0.3267	0.2338	0.182*
H2A	0.8217	0.3103	0.2207	0.182*
H3A	0.9236	0.2410	0.2516	0.182*
C1B	0.7689 (13)	0.2782 (6)	0.3664 (9)	0.207 (8)
H1B	0.7770	0.2223	0.3524	0.248*
H2B	0.6801	0.2992	0.3447	0.248*
H3B	0.7724	0.2835	0.4231	0.248*
C1C	1.0091 (15)	0.3148 (7)	0.3846 (8)	0.194 (7)
H1C	1.0465	0.2612	0.3801	0.233*
H2C	0.9869	0.3250	0.4386	0.233*
H3C	1.0787	0.3532	0.3685	0.233*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Gd1	0.03239 (15)	0.03905 (13)	0.03130 (12)	0.00436 (9)	0.00221 (8)	0.00211 (9)
O11	0.031 (2)	0.071 (2)	0.0392 (17)	−0.0024 (15)	0.0027 (14)	−0.0020 (15)
O12	0.038 (2)	0.063 (2)	0.0412 (18)	−0.0063 (15)	0.0078 (15)	−0.0041 (15)
C11	0.023 (3)	0.066 (3)	0.044 (3)	0.004 (2)	0.002 (2)	0.000 (2)
C12	0.047 (4)	0.110 (5)	0.037 (3)	−0.007 (3)	0.005 (2)	−0.009 (3)
Cl11	0.143 (2)	0.182 (2)	0.0489 (9)	−0.0529 (17)	0.0350 (12)	−0.0047 (11)
Cl12	0.227 (3)	0.1104 (16)	0.0787 (13)	0.0008 (17)	0.0242 (16)	−0.0452 (12)
O21	0.040 (3)	0.0496 (18)	0.059 (2)	−0.0032 (14)	−0.0009 (16)	0.0091 (15)
O22	0.043 (3)	0.069 (2)	0.0446 (19)	0.0164 (17)	−0.0018 (16)	0.0109 (16)
C21	0.031 (3)	0.040 (2)	0.037 (2)	0.0002 (18)	0.0040 (19)	0.0014 (17)
C22	0.054 (4)	0.057 (3)	0.053 (3)	−0.009 (2)	0.006 (3)	0.008 (2)
Cl21	0.154 (2)	0.0437 (8)	0.1166 (16)	0.0091 (9)	0.0394 (14)	0.0175 (8)
Cl22	0.143 (2)	0.0897 (11)	0.0577 (9)	0.0104 (11)	0.0389 (11)	0.0175 (8)
O31	0.059 (3)	0.056 (2)	0.054 (2)	0.0220 (18)	−0.0015 (18)	−0.0030 (16)
O32	0.038 (3)	0.056 (2)	0.069 (2)	−0.0055 (15)	0.0197 (17)	0.0024 (16)
C31	0.042 (4)	0.041 (2)	0.035 (2)	0.0012 (18)	0.008 (2)	0.0000 (17)
C32	0.055 (4)	0.050 (3)	0.073 (4)	−0.005 (2)	0.016 (3)	0.002 (3)
Cl31	0.1186 (17)	0.0605 (9)	0.0908 (12)	−0.0070 (9)	−0.0059 (11)	0.0313 (8)
Cl32	0.0898 (16)	0.0863 (12)	0.150 (2)	−0.0142 (10)	−0.0440 (14)	−0.0315 (12)
O41	0.072 (3)	0.0551 (19)	0.0429 (19)	0.0144 (18)	0.0208 (18)	0.0061 (15)
O42	0.102 (4)	0.068 (2)	0.040 (2)	0.036 (2)	0.002 (2)	0.0049 (17)
C41	0.048 (4)	0.050 (2)	0.037 (2)	0.006 (2)	0.005 (2)	0.001 (2)
C42	0.082 (5)	0.056 (3)	0.034 (2)	0.014 (3)	0.004 (3)	−0.006 (2)
Cl41	0.119 (2)	0.190 (3)	0.0508 (9)	0.0457 (16)	−0.0261 (11)	−0.0116 (11)
Cl42	0.151 (2)	0.154 (2)	0.0847 (14)	−0.0666 (17)	0.0685 (15)	−0.0343 (13)
O1W	0.028 (2)	0.099 (3)	0.0331 (17)	0.0003 (18)	0.0037 (13)	0.0069 (17)
O2W	0.029 (2)	0.064 (2)	0.0393 (17)	0.0018 (15)	0.0044 (14)	−0.0087 (15)
N1	0.086 (4)	0.055 (3)	0.067 (3)	0.020 (3)	0.010 (3)	0.009 (2)
C1A	0.257 (15)	0.094 (6)	0.104 (7)	0.066 (8)	0.006 (8)	−0.018 (5)
C1B	0.173 (13)	0.095 (7)	0.37 (2)	0.039 (7)	0.167 (14)	0.078 (9)
C1C	0.206 (15)	0.127 (9)	0.236 (14)	0.052 (9)	−0.127 (12)	−0.016 (9)

Geometric parameters (Å, º)

Gd1—O22^i	2.349 (3)	C32—Cl32	1.756 (6)
Gd1—O31	2.366 (4)	C32—Cl31	1.766 (6)
Gd1—O2W	2.376 (3)	C32—H32	0.9800
Gd1—O1W	2.378 (4)	O41—C41	1.243 (6)
Gd1—O21	2.403 (3)	O42—C41	1.243 (6)
Gd1—O32^ii	2.422 (3)	C41—C42	1.527 (7)
Gd1—O12	2.510 (3)	C42—Cl41	1.747 (6)
Gd1—O11	2.541 (3)	C42—Cl42	1.750 (7)
Gd1—C11	2.875 (5)	C42—H42	0.9800
O11—C11	1.255 (6)	O1W—H11W	0.992 (19)
O12—C11	1.254 (6)	O1W—H12W	0.99 (2)
C11—C12	1.527 (7)	O2W—H21W	0.971 (19)
C12—Cl11	1.741 (6)	O2W—H22W	0.979 (19)
C12—Cl12	1.743 (7)	N1—C1C	1.417 (11)
C12—H12	0.9800	N1—C1B	1.428 (11)
O21—C21	1.233 (6)	N1—C1A	1.459 (9)
O22—C21	1.249 (5)	N1—H1	0.9100
O22—Gd1^i	2.349 (3)	C1A—H1A	0.9600
C21—C22	1.519 (6)	C1A—H2A	0.9600
C22—Cl21	1.757 (6)	C1A—H3A	0.9600
C22—Cl22	1.780 (6)	C1B—H1B	0.9600
C22—H22	0.9800	C1B—H2B	0.9600
O31—C31	1.256 (6)	C1B—H3B	0.9600
O32—C31	1.240 (6)	C1C—H1C	0.9600
O32—Gd1^ii	2.422 (3)	C1C—H2C	0.9600
C31—C32	1.498 (7)	C1C—H3C	0.9600
O22^i—Gd1—O31	145.55 (12)	C21—C22—Cl22	106.5 (3)
O22^i—Gd1—O2W	70.31 (12)	Cl21—C22—Cl22	111.0 (3)
O31—Gd1—O2W	143.77 (12)	C21—C22—H22	109.0
O22^i—Gd1—O1W	140.60 (13)	Cl21—C22—H22	109.0
O31—Gd1—O1W	73.80 (13)	Cl22—C22—H22	109.0
O2W—Gd1—O1W	70.94 (12)	C31—O31—Gd1	157.1 (4)
O22^i—Gd1—O21	103.58 (13)	C31—O32—Gd1^ii	110.3 (3)
O31—Gd1—O21	82.89 (13)	O32—C31—O31	122.4 (5)
O2W—Gd1—O21	81.66 (12)	O32—C31—C32	121.1 (4)
O1W—Gd1—O21	77.48 (12)	O31—C31—C32	116.5 (5)
O22^i—Gd1—O32^ii	78.85 (13)	C31—C32—Cl32	108.6 (4)
O31—Gd1—O32^ii	106.85 (13)	C31—C32—Cl31	111.7 (4)
O2W—Gd1—O32^ii	80.03 (12)	Cl32—C32—Cl31	110.5 (3)
O1W—Gd1—O32^ii	87.78 (13)	C31—C32—H32	108.6
O21—Gd1—O32^ii	159.46 (12)	Cl32—C32—H32	108.6
O22^i—Gd1—O12	71.44 (12)	Cl31—C32—H32	108.6
O31—Gd1—O12	77.64 (12)	O41—C41—O42	127.0 (5)
O2W—Gd1—O12	129.14 (11)	O41—C41—C42	118.8 (4)
O1W—Gd1—O12	143.00 (12)	O42—C41—C42	114.2 (4)
O21—Gd1—O12	76.09 (11)	C41—C42—Cl41	113.4 (4)
O32^ii—Gd1—O12	123.18 (12)	C41—C42—Cl42	107.4 (4)
O22^i—Gd1—O11	77.49 (12)	Cl41—C42—Cl42	110.0 (3)
O31—Gd1—O11	71.51 (12)	C41—C42—H42	108.7
O2W—Gd1—O11	142.62 (12)	Cl41—C42—H42	108.7
O1W—Gd1—O11	134.69 (12)	Cl42—C42—H42	108.7
O21—Gd1—O11	125.02 (12)	Gd1—O1W—H11W	133 (4)
O32^ii—Gd1—O11	75.51 (12)	Gd1—O1W—H12W	126 (4)
O12—Gd1—O11	51.67 (11)	H11W—O1W—H12W	100 (3)
O22^i—Gd1—C11	72.61 (13)	Gd1—O2W—H21W	116 (3)
O31—Gd1—C11	72.94 (13)	Gd1—O2W—H22W	132 (3)
O2W—Gd1—C11	142.28 (13)	H21W—O2W—H22W	106 (3)
O1W—Gd1—C11	146.65 (13)	C1C—N1—C1B	110.9 (9)
O21—Gd1—C11	100.68 (14)	C1C—N1—C1A	112.6 (9)
O32^ii—Gd1—C11	99.48 (14)	C1B—N1—C1A	110.6 (9)
O12—Gd1—C11	25.81 (12)	C1C—N1—H1	107.5
O11—Gd1—C11	25.86 (13)	C1B—N1—H1	107.5
C11—O11—Gd1	92.1 (3)	C1A—N1—H1	107.5
C11—O12—Gd1	93.6 (3)	N1—C1A—H1A	109.5
O12—C11—O11	122.7 (4)	N1—C1A—H2A	109.5
O12—C11—C12	116.7 (5)	H1A—C1A—H2A	109.5
O11—C11—C12	120.6 (5)	N1—C1A—H3A	109.5
O12—C11—Gd1	60.6 (2)	H1A—C1A—H3A	109.5
O11—C11—Gd1	62.0 (2)	H2A—C1A—H3A	109.5
C12—C11—Gd1	176.8 (4)	N1—C1B—H1B	109.5
C11—C12—Cl11	113.9 (4)	N1—C1B—H2B	109.5
C11—C12—Cl12	109.5 (4)	H1B—C1B—H2B	109.5
Cl11—C12—Cl12	109.5 (3)	N1—C1B—H3B	109.5
C11—C12—H12	107.9	H1B—C1B—H3B	109.5
Cl11—C12—H12	107.9	H2B—C1B—H3B	109.5
Cl12—C12—H12	107.9	N1—C1C—H1C	109.5
C21—O21—Gd1	118.5 (3)	N1—C1C—H2C	109.5
C21—O22—Gd1^i	167.0 (4)	H1C—C1C—H2C	109.5
O21—C21—O22	124.6 (4)	N1—C1C—H3C	109.5
O21—C21—C22	120.2 (4)	H1C—C1C—H3C	109.5
O22—C21—C22	115.1 (5)	H2C—C1C—H3C	109.5
C21—C22—Cl21	112.4 (4)
O22^i—Gd1—O11—C11	−75.9 (3)	O22^i—Gd1—O21—C21	−5.1 (3)
O31—Gd1—O11—C11	88.9 (3)	O31—Gd1—O21—C21	−150.6 (3)
O2W—Gd1—O11—C11	−106.7 (3)	O2W—Gd1—O21—C21	62.2 (3)
O1W—Gd1—O11—C11	130.8 (3)	O1W—Gd1—O21—C21	134.4 (3)
O21—Gd1—O11—C11	22.1 (4)	O32^ii—Gd1—O21—C21	89.4 (5)
O32^ii—Gd1—O11—C11	−157.4 (3)	O12—Gd1—O21—C21	−71.7 (3)
O12—Gd1—O11—C11	0.2 (3)	O11—Gd1—O21—C21	−89.2 (3)
O22^i—Gd1—O12—C11	88.3 (3)	C11—Gd1—O21—C21	−79.6 (3)
O31—Gd1—O12—C11	−76.3 (3)	Gd1—O21—C21—O22	6.0 (6)
O2W—Gd1—O12—C11	131.3 (3)	Gd1—O21—C21—C22	−172.2 (3)
O1W—Gd1—O12—C11	−116.4 (3)	Gd1^i—O22—C21—O21	176.1 (11)
O21—Gd1—O12—C11	−162.0 (3)	Gd1^i—O22—C21—C22	−5.6 (16)
O32^ii—Gd1—O12—C11	25.9 (3)	O21—C21—C22—Cl21	−37.0 (6)
O11—Gd1—O12—C11	−0.2 (3)	O22—C21—C22—Cl21	144.6 (4)
Gd1—O12—C11—O11	0.5 (5)	O21—C21—C22—Cl22	84.8 (5)
Gd1—O12—C11—C12	−178.0 (4)	O22—C21—C22—Cl22	−93.6 (5)
Gd1—O11—C11—O12	−0.4 (5)	O22^i—Gd1—O31—C31	−113.3 (8)
Gd1—O11—C11—C12	178.0 (5)	O2W—Gd1—O31—C31	55.7 (10)
O22^i—Gd1—C11—O12	−83.2 (3)	O1W—Gd1—O31—C31	69.4 (9)
O31—Gd1—C11—O12	96.9 (3)	O21—Gd1—O31—C31	−9.6 (9)
O2W—Gd1—C11—O12	−72.3 (4)	O32^ii—Gd1—O31—C31	151.9 (9)
O1W—Gd1—C11—O12	101.2 (3)	O12—Gd1—O31—C31	−86.8 (9)
O21—Gd1—C11—O12	17.8 (3)	O11—Gd1—O31—C31	−140.2 (9)
O32^ii—Gd1—C11—O12	−158.3 (3)	C11—Gd1—O31—C31	−113.1 (9)
O11—Gd1—C11—O12	179.6 (5)	Gd1^ii—O32—C31—O31	9.1 (5)
O22^i—Gd1—C11—O11	97.2 (3)	Gd1^ii—O32—C31—C32	−169.9 (4)
O31—Gd1—C11—O11	−82.7 (3)	Gd1—O31—C31—O32	−156.5 (6)
O2W—Gd1—C11—O11	108.1 (3)	Gd1—O31—C31—C32	22.5 (11)
O1W—Gd1—C11—O11	−78.3 (4)	O32—C31—C32—Cl32	−91.5 (5)
O21—Gd1—C11—O11	−161.7 (3)	O31—C31—C32—Cl32	89.5 (5)
O32^ii—Gd1—C11—O11	22.2 (3)	O32—C31—C32—Cl31	30.7 (6)
O12—Gd1—C11—O11	−179.6 (5)	O31—C31—C32—Cl31	−148.4 (4)
O12—C11—C12—Cl11	178.9 (4)	O41—C41—C42—Cl41	41.0 (7)
O11—C11—C12—Cl11	0.4 (7)	O42—C41—C42—Cl41	−139.8 (5)
O12—C11—C12—Cl12	−58.1 (6)	O41—C41—C42—Cl42	−80.7 (6)
O11—C11—C12—Cl12	123.4 (5)	O42—C41—C42—Cl42	98.5 (5)

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

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H11W···O41	0.99 (2)	1.72 (2)	2.713 (5)	174 (6)
O1W—H12W···O11^ii	0.99 (2)	1.81 (3)	2.753 (5)	160 (5)
O2W—H21W···O12^i	0.97 (2)	1.81 (2)	2.772 (5)	169 (5)
O2W—H22W···O42	0.98 (2)	1.65 (2)	2.627 (5)	176 (5)
N1—H1···O41	0.91	1.88	2.747 (6)	158

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