Poly[diaquadi-μ₆-succinato-μ₅-succinato-dierbium(III)]

In the title compound, [Er₂(C₄H₄O₄)₃(H₂O)₂]_n, the asymmetric unit consists of two Er^III cations, three succinate anions and two coordinated water mol­ecules. Both Er^III ions are in a tricapped trigonal–prismatic coordination environment. The Er atoms are bridged into a three-dimensional framework by succinate anions, which exhibit anti and gauche conformations with different coordination modes. The crystal structure is stabilized by O—H...O hydrogen bonds [O...O = 2.715 (8)–2.936 (8) Å].

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean [sigma](C-C) = 0.010 Å
• R factor = 0.039
• wR factor = 0.104
• Data-to-parameter ratio = 13.2

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT420_ALERT_2_B D-H Without Acceptor       O1W    -   H1WA   ...          ?

Alert level C
PLAT022_ALERT_3_C Ratio Unique / Expected Reflections too Low ....       0.95
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.98
PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature .        293 K
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         10
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          4
PLAT731_ALERT_1_C Bond    Calc     0.83(5), Rep     0.83(2) ......       2.50 su-Rat
              O2W  -H2WA    1.555   1.555
PLAT731_ALERT_1_C Bond    Calc     0.84(5), Rep     0.84(2) ......       2.50 su-Rat
              O2W  -H2WB    1.555   1.555
PLAT731_ALERT_1_C Bond    Calc     0.85(8), Rep     0.85(2) ......       4.00 su-Rat
              O1W  -H1WA    1.555   1.555
PLAT732_ALERT_1_C Angle   Calc      106(8), Rep      106(3) ......       2.67 su-Rat
              H1WA -O1W  -H1WB    1.555   1.555   1.555
PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) .       1.38 Ratio

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

   5 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
   3 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion

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Computing details

Data collection: SMART (Bruker, 1998); cell refinement: SAINT (Bruker, 1998); 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, 1998); software used to prepare material for publication: SHELXTL.

Poly[diaquadi-µ₅-succinato-µ₆-succinato-dierbium(III)]

Crystal data

[Er2(C4H4O4)3(H2O)2]	Z = 2
Mr = 718.77	F(000) = 672
Triclinic, P1	Dx = 2.816 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 7.5576 (17) Å	Cell parameters from 1045 reflections
b = 8.4054 (18) Å	θ = 3.5–25.5°
c = 13.795 (3) Å	µ = 9.91 mm^−1
α = 96.672 (3)°	T = 298 K
β = 98.394 (3)°	Block, red
γ = 98.975 (3)°	0.25 × 0.18 × 0.10 mm
V = 847.6 (3) Å^3

Data collection

Bruker SMART CCD area-detector diffractometer	3559 independent reflections
Radiation source: fine-focus sealed tube	3134 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.037
φ and ω scans	θmax = 27.1°, θmin = 2.8°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −7→9
Tmin = 0.131, Tmax = 0.371	k = −10→10
4914 measured reflections	l = −16→17

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.039	H atoms treated by a mixture of independent and constrained refinement
wR(F^2) = 0.104	w = 1/[σ^2(Fo^2) + (0.0489P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 1.02	(Δ/σ)max = 0.014
3559 reflections	Δρmax = 2.05 e Å^−3
270 parameters	Δρmin = −2.35 e Å^−3
6 restraints	Extinction correction: SHELXTL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.0027 (4)

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
O2W	0.3699 (6)	−0.1699 (7)	0.5870 (4)	0.0213 (11)
O12	0.6450 (6)	0.1121 (6)	1.2111 (3)	0.0167 (10)
O11	0.7866 (6)	0.1005 (7)	1.0850 (4)	0.0259 (12)
C12	0.6810 (9)	0.1654 (9)	1.1315 (5)	0.0180 (15)
C11	0.6028 (10)	0.3084 (9)	1.0981 (5)	0.0196 (15)
H11A	0.6435	0.4019	1.1492	0.023*
H11B	0.4713	0.2830	1.0896	0.023*
O3	−0.3642 (7)	0.7054 (6)	0.7229 (5)	0.0288 (13)
O4	−0.1428 (7)	0.8922 (6)	0.8024 (4)	0.0203 (11)
C4	−0.2078 (10)	0.7443 (9)	0.7690 (5)	0.0192 (15)
C3	−0.0891 (11)	0.6190 (9)	0.7835 (6)	0.0306 (19)
H3A	0.0213	0.6510	0.7572	0.037*
H3B	−0.0550	0.6178	0.8539	0.037*
O7	−0.0405 (7)	0.1032 (7)	0.3661 (4)	0.0258 (13)
O8	0.2516 (6)	0.0902 (7)	0.4165 (4)	0.0226 (12)
C8	0.1085 (8)	0.1438 (9)	0.4266 (5)	0.0158 (14)
Er2	0.59743 (4)	−0.01346 (4)	0.70874 (2)	0.01338 (13)
Er1	0.13632 (4)	0.07526 (4)	0.79348 (2)	0.01380 (13)
C9	0.5555 (8)	0.2366 (9)	0.9137 (5)	0.0158 (14)
O6	0.5470 (6)	0.1841 (7)	0.5984 (4)	0.0213 (11)
O5	0.3357 (6)	0.1482 (6)	0.6881 (4)	0.0200 (11)
O2	−0.1265 (6)	0.1761 (6)	0.7257 (4)	0.0196 (11)
O9	0.3862 (6)	0.2221 (7)	0.8989 (4)	0.0230 (12)
O10	0.6433 (6)	0.1570 (7)	0.8599 (4)	0.0242 (12)
O1W	0.0179 (7)	0.1704 (7)	0.9362 (4)	0.0274 (13)
O1	0.1093 (6)	0.3625 (6)	0.7817 (4)	0.0292 (13)
C1	−0.0527 (9)	0.3270 (9)	0.7494 (5)	0.0171 (14)
C7	0.1117 (9)	0.2645 (9)	0.5169 (5)	0.0174 (14)
H7A	0.0448	0.2109	0.5625	0.021*
H7B	0.0507	0.3519	0.4973	0.021*
C5	0.4000 (9)	0.2147 (8)	0.6196 (5)	0.0160 (14)
C10	0.6577 (9)	0.3521 (8)	1.0020 (5)	0.0157 (14)
H10A	0.6364	0.4611	0.9944	0.019*
H10B	0.7867	0.3522	1.0050	0.019*
C6	0.3037 (9)	0.3366 (9)	0.5701 (5)	0.0198 (15)
H6A	0.3743	0.3797	0.5226	0.024*
H6B	0.2981	0.4266	0.6197	0.024*
C2	−0.1750 (11)	0.4502 (9)	0.7355 (7)	0.031 (2)
H2A	−0.2110	0.4513	0.6652	0.038*
H2B	−0.2841	0.4170	0.7627	0.038*
H1WA	0.061 (9)	0.125 (11)	0.984 (5)	0.05 (3)*
H1WB	−0.095 (3)	0.158 (11)	0.936 (6)	0.04 (3)*
H2WA	0.263 (5)	−0.160 (12)	0.589 (6)	0.04 (3)*
H2WB	0.393 (10)	−0.174 (13)	0.529 (3)	0.05 (3)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
O2W	0.013 (2)	0.033 (3)	0.016 (3)	0.004 (2)	0.0024 (19)	−0.006 (2)
O12	0.018 (2)	0.015 (3)	0.019 (2)	0.003 (2)	0.0061 (19)	0.0043 (19)
O11	0.022 (3)	0.033 (3)	0.030 (3)	0.015 (2)	0.009 (2)	0.014 (2)
C12	0.014 (3)	0.022 (4)	0.015 (3)	−0.004 (3)	−0.001 (3)	0.001 (3)
C11	0.025 (4)	0.021 (4)	0.014 (3)	0.013 (3)	0.001 (3)	0.000 (3)
O3	0.020 (3)	0.013 (3)	0.054 (4)	0.005 (2)	0.004 (2)	0.007 (3)
O4	0.025 (3)	0.011 (2)	0.024 (3)	0.005 (2)	0.003 (2)	0.001 (2)
C4	0.022 (4)	0.015 (4)	0.021 (4)	0.005 (3)	0.005 (3)	0.002 (3)
C3	0.029 (4)	0.014 (4)	0.043 (5)	0.006 (3)	−0.009 (4)	−0.004 (3)
O7	0.015 (2)	0.038 (3)	0.025 (3)	0.011 (2)	0.000 (2)	−0.001 (2)
O8	0.013 (2)	0.030 (3)	0.023 (3)	0.010 (2)	0.001 (2)	−0.010 (2)
C8	0.014 (3)	0.018 (4)	0.015 (3)	0.004 (3)	0.003 (2)	−0.003 (3)
Er2	0.01090 (18)	0.0134 (2)	0.0158 (2)	0.00541 (13)	0.00050 (12)	−0.00053 (13)
Er1	0.01079 (18)	0.0138 (2)	0.0170 (2)	0.00560 (13)	0.00079 (12)	0.00027 (13)
C9	0.014 (3)	0.017 (4)	0.019 (3)	0.008 (3)	0.004 (3)	0.002 (3)
O6	0.015 (2)	0.030 (3)	0.020 (3)	0.008 (2)	−0.0009 (19)	0.005 (2)
O5	0.024 (3)	0.015 (3)	0.022 (3)	0.006 (2)	0.007 (2)	0.002 (2)
O2	0.017 (2)	0.013 (2)	0.027 (3)	0.007 (2)	−0.003 (2)	0.000 (2)
O9	0.013 (2)	0.027 (3)	0.026 (3)	0.005 (2)	−0.002 (2)	−0.007 (2)
O10	0.012 (2)	0.038 (3)	0.021 (3)	0.010 (2)	0.002 (2)	−0.010 (2)
O1W	0.018 (3)	0.033 (3)	0.031 (3)	0.010 (2)	0.005 (2)	−0.008 (3)
O1	0.018 (2)	0.015 (3)	0.052 (4)	0.009 (2)	−0.002 (2)	−0.004 (3)
C1	0.018 (3)	0.010 (3)	0.024 (4)	0.004 (3)	0.003 (3)	0.005 (3)
C7	0.017 (3)	0.023 (4)	0.013 (3)	0.010 (3)	0.000 (3)	−0.003 (3)
C5	0.019 (3)	0.010 (3)	0.015 (3)	0.001 (3)	−0.001 (3)	−0.003 (3)
C10	0.019 (3)	0.008 (3)	0.020 (3)	0.007 (3)	0.001 (3)	0.001 (3)
C6	0.021 (3)	0.015 (4)	0.021 (4)	0.003 (3)	−0.006 (3)	0.001 (3)
C2	0.028 (4)	0.015 (4)	0.046 (5)	0.007 (3)	−0.009 (4)	−0.004 (4)

Geometric parameters (Å, º)

O2W—Er2	2.334 (5)	Er2—O5	2.570 (5)
O2W—H2WA	0.83 (2)	Er2—C4^vii	2.824 (8)
O2W—H2WB	0.84 (2)	Er2—C5	2.885 (7)
O12—C12	1.281 (8)	Er1—O9	2.293 (5)
O12—Er2^i	2.366 (5)	Er1—O5	2.306 (5)
O12—Er1^i	2.457 (5)	Er1—O1W	2.385 (6)
O11—C12	1.246 (9)	Er1—O2	2.389 (5)
O11—Er1^i	2.428 (5)	Er1—O11^i	2.428 (5)
C12—C11	1.510 (10)	Er1—O4^viii	2.437 (5)
C12—Er1^i	2.830 (8)	Er1—O12^i	2.457 (5)
C11—C10	1.513 (9)	Er1—O7^iv	2.459 (5)
C11—H11A	0.97	Er1—O1	2.477 (5)
C11—H11B	0.97	Er1—C1	2.806 (7)
O3—C4	1.233 (8)	Er1—C12^i	2.830 (8)
O3—Er2^ii	2.452 (5)	C9—O9	1.250 (7)
O4—C4	1.269 (9)	C9—O10	1.268 (8)
O4—Er1^iii	2.437 (5)	C9—C10	1.496 (9)
O4—Er2^ii	2.477 (5)	O6—C5	1.247 (9)
C4—C3	1.499 (11)	O5—C5	1.270 (8)
C4—Er2^ii	2.824 (8)	O2—C1	1.287 (8)
C3—C2	1.497 (11)	O2—Er2^ix	2.383 (5)
C3—H3A	0.97	O1W—H1WA	0.85 (2)
C3—H3B	0.97	O1W—H1WB	0.84 (2)
O7—C8	1.273 (8)	O1—C1	1.218 (8)
O7—Er1^iv	2.459 (5)	C1—C2	1.502 (10)
O8—C8	1.254 (8)	C7—C6	1.524 (9)
O8—Er2^v	2.291 (5)	C7—H7A	0.97
C8—C7	1.508 (9)	C7—H7B	0.97
Er2—O8^v	2.291 (5)	C5—C6	1.516 (10)
Er2—O10	2.337 (5)	C10—H10A	0.97
Er2—O12^i	2.366 (5)	C10—H10B	0.97
Er2—O2^vi	2.383 (5)	C6—H6A	0.97
Er2—O6	2.415 (5)	C6—H6B	0.97
Er2—O3^vii	2.452 (5)	C2—H2A	0.97
Er2—O4^vii	2.477 (5)	C2—H2B	0.97
Er2—O2W—H2WA	118 (6)	O9—Er1—O11^i	74.80 (19)
Er2—O2W—H2WB	115 (6)	O5—Er1—O11^i	119.87 (17)
H2WA—O2W—H2WB	112 (4)	O1W—Er1—O11^i	74.4 (2)
C12—O12—Er2^i	143.0 (4)	O2—Er1—O11^i	137.45 (17)
C12—O12—Er1^i	93.0 (4)	O9—Er1—O4^viii	138.55 (17)
Er2^i—O12—Er1^i	111.32 (19)	O5—Er1—O4^viii	142.87 (17)
C12—O11—Er1^i	95.3 (4)	O1W—Er1—O4^viii	70.80 (18)
O11—C12—O12	118.6 (7)	O2—Er1—O4^viii	68.41 (17)
O11—C12—C11	121.1 (6)	O11^i—Er1—O4^viii	72.98 (17)
O12—C12—C11	120.3 (7)	O9—Er1—O12^i	77.98 (17)
O11—C12—Er1^i	58.7 (4)	O5—Er1—O12^i	70.07 (17)
O12—C12—Er1^i	60.1 (4)	O1W—Er1—O12^i	125.52 (18)
C11—C12—Er1^i	173.1 (5)	O2—Er1—O12^i	152.89 (16)
C12—C11—C10	112.7 (6)	O11^i—Er1—O12^i	52.80 (16)
C12—C11—H11A	109.1	O4^viii—Er1—O12^i	101.86 (16)
C10—C11—H11A	109.1	O9—Er1—O7^iv	143.09 (18)
C12—C11—H11B	109.1	O5—Er1—O7^iv	71.01 (17)
C10—C11—H11B	109.1	O1W—Er1—O7^iv	140.66 (18)
H11A—C11—H11B	107.8	O2—Er1—O7^iv	78.48 (17)
C4—O3—Er2^ii	94.2 (4)	O11^i—Er1—O7^iv	106.0 (2)
C4—O4—Er1^iii	134.5 (5)	O4^viii—Er1—O7^iv	71.92 (17)
C4—O4—Er2^ii	92.1 (4)	O12^i—Er1—O7^iv	74.43 (17)
Er1^iii—O4—Er2^ii	108.82 (19)	O9—Er1—O1	75.83 (18)
O3—C4—O4	120.4 (7)	O5—Er1—O1	77.12 (19)
O3—C4—C3	120.7 (6)	O1W—Er1—O1	73.7 (2)
O4—C4—C3	118.9 (6)	O2—Er1—O1	52.73 (16)
O3—C4—Er2^ii	60.0 (4)	O11^i—Er1—O1	140.8 (2)
O4—C4—Er2^ii	61.2 (4)	O4^viii—Er1—O1	116.24 (16)
C3—C4—Er2^ii	169.1 (6)	O12^i—Er1—O1	141.74 (16)
C2—C3—C4	114.5 (7)	O7^iv—Er1—O1	113.0 (2)
C2—C3—H3A	108.6	O9—Er1—C1	100.0 (2)
C4—C3—H3A	108.6	O5—Er1—C1	90.90 (19)
C2—C3—H3B	108.6	O1W—Er1—C1	71.3 (2)
C4—C3—H3B	108.6	O2—Er1—C1	27.18 (18)
H3A—C3—H3B	107.6	O11^i—Er1—C1	145.5 (2)
C8—O7—Er1^iv	134.1 (5)	O4^viii—Er1—C1	92.20 (18)
C8—O8—Er2^v	138.4 (5)	O12^i—Er1—C1	160.88 (18)
O8—C8—O7	124.7 (6)	O7^iv—Er1—C1	98.2 (2)
O8—C8—C7	118.0 (6)	O1—Er1—C1	25.69 (17)
O7—C8—C7	117.3 (6)	O9—Er1—C12^i	76.09 (19)
O8^v—Er2—O2W	75.88 (17)	O5—Er1—C12^i	95.89 (19)
O8^v—Er2—O10	141.11 (17)	O1W—Er1—C12^i	99.9 (2)
O2W—Er2—O10	142.39 (17)	O2—Er1—C12^i	153.84 (18)
O8^v—Er2—O12^i	141.34 (17)	O11^i—Er1—C12^i	25.99 (19)
O2W—Er2—O12^i	72.93 (17)	O4^viii—Er1—C12^i	85.85 (18)
O10—Er2—O12^i	74.73 (17)	O12^i—Er1—C12^i	26.87 (17)
O8^v—Er2—O2^vi	71.86 (17)	O7^iv—Er1—C12^i	89.5 (2)
O2W—Er2—O2^vi	140.70 (18)	O1—Er1—C12^i	151.91 (18)
O10—Er2—O2^vi	70.38 (18)	C1—Er1—C12^i	171.1 (2)
O12^i—Er2—O2^vi	144.94 (17)	O9—C9—O10	123.8 (6)
O8^v—Er2—O6	77.84 (19)	O9—C9—C10	117.3 (6)
O2W—Er2—O6	79.67 (19)	O10—C9—C10	118.9 (6)
O10—Er2—O6	99.0 (2)	C5—O6—Er2	99.0 (4)
O12^i—Er2—O6	117.55 (16)	C5—O5—Er1	159.4 (5)
O2^vi—Er2—O6	72.17 (16)	C5—O5—Er2	90.9 (4)
O8^v—Er2—O3^vii	74.0 (2)	Er1—O5—Er2	109.4 (2)
O2W—Er2—O3^vii	75.9 (2)	C1—O2—Er2^ix	144.5 (5)
O10—Er2—O3^vii	114.5 (2)	C1—O2—Er1	94.8 (4)
O12^i—Er2—O3^vii	76.69 (18)	Er2^ix—O2—Er1	113.7 (2)
O2^vi—Er2—O3^vii	114.89 (17)	C9—O9—Er1	140.3 (5)
O6—Er2—O3^vii	146.31 (19)	C9—O10—Er2	140.0 (4)
O8^v—Er2—O4^vii	79.07 (17)	Er1—O1W—H1WA	108 (6)
O2W—Er2—O4^vii	126.84 (18)	Er1—O1W—H1WB	121 (6)
O10—Er2—O4^vii	78.47 (17)	H1WA—O1W—H1WB	106 (3)
O12^i—Er2—O4^vii	102.08 (16)	C1—O1—Er1	92.5 (4)
O2^vi—Er2—O4^vii	67.84 (17)	O1—C1—O2	119.3 (7)
O6—Er2—O4^vii	138.32 (16)	O1—C1—C2	123.7 (6)
O3^vii—Er2—O4^vii	52.27 (16)	O2—C1—C2	117.0 (6)
O8^v—Er2—O5	123.90 (17)	O1—C1—Er1	61.8 (4)
O2W—Er2—O5	73.36 (17)	O2—C1—Er1	58.0 (4)
O10—Er2—O5	76.81 (17)	C2—C1—Er1	170.9 (6)
O12^i—Er2—O5	67.21 (16)	C8—C7—C6	112.8 (6)
O2^vi—Er2—O5	107.18 (16)	C8—C7—H7A	109.0
O6—Er2—O5	51.36 (16)	C6—C7—H7A	109.0
O3^vii—Er2—O5	137.84 (16)	C8—C7—H7B	109.0
O4^vii—Er2—O5	154.91 (16)	C6—C7—H7B	109.0
O8^v—Er2—C4^vii	72.4 (2)	H7A—C7—H7B	107.8
O2W—Er2—C4^vii	100.4 (2)	O6—C5—O5	118.6 (6)
O10—Er2—C4^vii	99.0 (2)	O6—C5—C6	121.5 (6)
O12^i—Er2—C4^vii	91.32 (19)	O5—C5—C6	119.8 (6)
O2^vi—Er2—C4^vii	90.71 (18)	O6—C5—Er2	55.8 (4)
O6—Er2—C4^vii	149.15 (19)	O5—C5—Er2	62.9 (4)
O3^vii—Er2—C4^vii	25.82 (18)	C6—C5—Er2	177.2 (5)
O4^vii—Er2—C4^vii	26.68 (18)	C9—C10—C11	112.7 (6)
O5—Er2—C4^vii	158.51 (19)	C9—C10—H10A	109.1
O8^v—Er2—C5	100.3 (2)	C11—C10—H10A	109.1
O2W—Er2—C5	74.23 (19)	C9—C10—H10B	109.1
O10—Er2—C5	88.70 (19)	C11—C10—H10B	109.1
O12^i—Er2—C5	92.65 (18)	H10A—C10—H10B	107.8
O2^vi—Er2—C5	89.98 (17)	C5—C6—C7	113.3 (6)
O6—Er2—C5	25.27 (18)	C5—C6—H6A	108.9
O3^vii—Er2—C5	150.05 (18)	C7—C6—H6A	108.9
O4^vii—Er2—C5	157.01 (17)	C5—C6—H6B	108.9
O5—Er2—C5	26.12 (17)	C7—C6—H6B	108.9
C4^vii—Er2—C5	172.1 (2)	H6A—C6—H6B	107.7
O9—Er1—O5	76.84 (18)	C3—C2—C1	113.7 (7)
O9—Er1—O1W	75.96 (18)	C3—C2—H2A	108.8
O5—Er1—O1W	144.02 (19)	C1—C2—H2A	108.8
O9—Er1—O2	126.54 (18)	C3—C2—H2B	108.8
O5—Er1—O2	101.83 (18)	C1—C2—H2B	108.8
O1W—Er1—O2	76.58 (19)	H2A—C2—H2B	107.7
Er1^i—O11—C12—O12	−5.3 (6)	O10—C9—O9—Er1	1.9 (12)
Er1^i—O11—C12—C11	172.0 (5)	C10—C9—O9—Er1	−176.5 (5)
Er2^i—O12—C12—O11	−127.2 (7)	O5—Er1—O9—C9	−44.4 (7)
Er1^i—O12—C12—O11	5.3 (6)	O1W—Er1—O9—C9	159.4 (8)
Er2^i—O12—C12—C11	55.5 (10)	O2—Er1—O9—C9	−139.5 (7)
Er1^i—O12—C12—C11	−172.1 (5)	O11^i—Er1—O9—C9	82.0 (8)
Er2^i—O12—C12—Er1^i	−132.4 (8)	O4^viii—Er1—O9—C9	122.0 (7)
O11—C12—C11—C10	3.6 (9)	O12^i—Er1—O9—C9	27.7 (7)
O12—C12—C11—C10	−179.1 (5)	O7^iv—Er1—O9—C9	−14.6 (9)
Er2^ii—O3—C4—O4	10.5 (7)	O1—Er1—O9—C9	−124.2 (8)
Er2^ii—O3—C4—C3	−167.4 (7)	C1—Er1—O9—C9	−133.0 (7)
Er1^iii—O4—C4—O3	−129.6 (6)	C12^i—Er1—O9—C9	55.2 (7)
Er2^ii—O4—C4—O3	−10.4 (7)	O9—C9—O10—Er2	10.8 (13)
Er1^iii—O4—C4—C3	48.4 (10)	C10—C9—O10—Er2	−170.9 (5)
Er2^ii—O4—C4—C3	167.6 (6)	O8^v—Er2—O10—C9	151.2 (7)
Er1^iii—O4—C4—Er2^ii	−119.2 (6)	O2W—Er2—O10—C9	−15.3 (10)
O3—C4—C3—C2	1.8 (12)	O12^i—Er2—O10—C9	−46.8 (8)
O4—C4—C3—C2	−176.2 (8)	O2^vi—Er2—O10—C9	136.7 (8)
Er2^ii—C4—C3—C2	−89 (3)	O6—Er2—O10—C9	69.4 (8)
Er2^v—O8—C8—O7	35.7 (12)	O3^vii—Er2—O10—C9	−114.1 (8)
Er2^v—O8—C8—C7	−144.5 (6)	O4^vii—Er2—O10—C9	−152.9 (8)
Er1^iv—O7—C8—O8	−2.5 (11)	O5—Er2—O10—C9	22.8 (8)
Er1^iv—O7—C8—C7	177.8 (5)	C4^vii—Er2—O10—C9	−135.7 (8)
O8^v—Er2—O6—C5	152.5 (4)	C5—Er2—O10—C9	46.3 (8)
O2W—Er2—O6—C5	74.9 (4)	O9—Er1—O1—C1	−159.7 (5)
O10—Er2—O6—C5	−67.0 (4)	O5—Er1—O1—C1	120.8 (5)
O12^i—Er2—O6—C5	10.4 (5)	O1W—Er1—O1—C1	−80.5 (5)
O2^vi—Er2—O6—C5	−132.9 (4)	O2—Er1—O1—C1	4.8 (4)
O3^vii—Er2—O6—C5	118.8 (4)	O11^i—Er1—O1—C1	−117.3 (5)
O4^vii—Er2—O6—C5	−149.8 (4)	O4^viii—Er1—O1—C1	−22.2 (5)
O5—Er2—O6—C5	−2.0 (4)	O12^i—Er1—O1—C1	152.1 (4)
C4^vii—Er2—O6—C5	168.0 (4)	O7^iv—Er1—O1—C1	58.2 (5)
O9—Er1—O5—C5	−116.7 (12)	C12^i—Er1—O1—C1	−161.0 (5)
O1W—Er1—O5—C5	−74.9 (13)	Er1—O1—C1—O2	−8.2 (7)
O2—Er1—O5—C5	8.5 (13)	Er1—O1—C1—C2	171.5 (7)
O11^i—Er1—O5—C5	179.7 (12)	Er2^ix—O2—C1—O1	152.9 (6)
O4^viii—Er1—O5—C5	78.2 (13)	Er1—O2—C1—O1	8.5 (7)
O12^i—Er1—O5—C5	161.5 (13)	Er2^ix—O2—C1—C2	−26.9 (12)
O7^iv—Er1—O5—C5	81.7 (12)	Er1—O2—C1—C2	−171.2 (6)
O1—Er1—O5—C5	−38.5 (12)	Er2^ix—O2—C1—Er1	144.4 (8)
C1—Er1—O5—C5	−16.6 (12)	O9—Er1—C1—O1	19.9 (5)
C12^i—Er1—O5—C5	169.1 (12)	O5—Er1—C1—O1	−56.9 (5)
O9—Er1—O5—Er2	71.3 (2)	O1W—Er1—C1—O1	91.3 (5)
O1W—Er1—O5—Er2	113.0 (3)	O2—Er1—C1—O1	−171.6 (7)
O2—Er1—O5—Er2	−163.56 (18)	O11^i—Er1—C1—O1	97.6 (5)
O11^i—Er1—O5—Er2	7.7 (3)	O4^viii—Er1—C1—O1	160.1 (5)
O4^viii—Er1—O5—Er2	−93.8 (3)	O12^i—Er1—C1—O1	−62.2 (8)
O12^i—Er1—O5—Er2	−10.51 (15)	O7^iv—Er1—C1—O1	−127.8 (5)
O7^iv—Er1—O5—Er2	−90.3 (2)	O9—Er1—C1—O2	−168.5 (4)
O1—Er1—O5—Er2	149.5 (2)	O5—Er1—C1—O2	114.7 (4)
C1—Er1—O5—Er2	171.4 (2)	O1W—Er1—C1—O2	−97.1 (4)
C12^i—Er1—O5—Er2	−2.9 (2)	O11^i—Er1—C1—O2	−90.8 (5)
O8^v—Er2—O5—C5	−28.5 (4)	O4^viii—Er1—C1—O2	−28.3 (4)
O2W—Er2—O5—C5	−88.0 (4)	O12^i—Er1—C1—O2	109.4 (6)
O10—Er2—O5—C5	115.2 (4)	O7^iv—Er1—C1—O2	43.8 (4)
O12^i—Er2—O5—C5	−166.1 (4)	O1—Er1—C1—O2	171.6 (7)
O2^vi—Er2—O5—C5	50.8 (4)	O8—C8—C7—C6	14.7 (9)
O6—Er2—O5—C5	1.9 (3)	O7—C8—C7—C6	−165.5 (6)
O3^vii—Er2—O5—C5	−132.8 (4)	Er2—O6—C5—O5	3.6 (7)
O4^vii—Er2—O5—C5	125.1 (4)	Er2—O6—C5—C6	179.8 (5)
C4^vii—Er2—O5—C5	−164.0 (5)	Er1—O5—C5—O6	−175.9 (9)
O8^v—Er2—O5—Er1	148.70 (19)	Er2—O5—C5—O6	−3.4 (6)
O2W—Er2—O5—Er1	89.2 (2)	Er1—O5—C5—C6	7.9 (16)
O10—Er2—O5—Er1	−67.6 (2)	Er2—O5—C5—C6	−179.6 (5)
O12^i—Er2—O5—Er1	11.13 (16)	Er1—O5—C5—Er2	−172.5 (13)
O2^vi—Er2—O5—Er1	−131.9 (2)	O8^v—Er2—C5—O6	−27.3 (4)
O6—Er2—O5—Er1	179.2 (3)	O2W—Er2—C5—O6	−99.3 (4)
O3^vii—Er2—O5—Er1	44.4 (3)	O10—Er2—C5—O6	114.6 (4)
O4^vii—Er2—O5—Er1	−57.6 (4)	O12^i—Er2—C5—O6	−170.7 (4)
C4^vii—Er2—O5—Er1	13.3 (6)	O2^vi—Er2—C5—O6	44.2 (4)
C5—Er2—O5—Er1	177.2 (5)	O3^vii—Er2—C5—O6	−103.2 (5)
O9—Er1—O2—C1	14.2 (5)	O4^vii—Er2—C5—O6	59.1 (7)
O5—Er1—O2—C1	−68.1 (4)	O5—Er2—C5—O6	176.4 (6)
O1W—Er1—O2—C1	75.0 (4)	O8^v—Er2—C5—O5	156.3 (4)
O11^i—Er1—O2—C1	123.1 (4)	O2W—Er2—C5—O5	84.3 (4)
O4^viii—Er1—O2—C1	149.4 (5)	O10—Er2—C5—O5	−61.8 (4)
O12^i—Er1—O2—C1	−137.3 (4)	O12^i—Er2—C5—O5	12.8 (4)
O7^iv—Er1—O2—C1	−135.6 (4)	O2^vi—Er2—C5—O5	−132.2 (4)
O1—Er1—O2—C1	−4.6 (4)	O6—Er2—C5—O5	−176.4 (6)
C12^i—Er1—O2—C1	160.3 (5)	O3^vii—Er2—C5—O5	80.4 (5)
O9—Er1—O2—Er2^ix	−144.1 (2)	O4^vii—Er2—C5—O5	−117.4 (5)
O5—Er1—O2—Er2^ix	133.6 (2)	O9—C9—C10—C11	58.9 (8)
O1W—Er1—O2—Er2^ix	−83.3 (2)	O10—C9—C10—C11	−119.6 (7)
O11^i—Er1—O2—Er2^ix	−35.2 (4)	C12—C11—C10—C9	75.9 (7)
O4^viii—Er1—O2—Er2^ix	−8.87 (18)	O6—C5—C6—C7	122.0 (7)
O12^i—Er1—O2—Er2^ix	64.4 (4)	O5—C5—C6—C7	−61.9 (8)
O7^iv—Er1—O2—Er2^ix	66.1 (2)	C8—C7—C6—C5	−68.8 (8)
O1—Er1—O2—Er2^ix	−162.9 (3)	C4—C3—C2—C1	179.0 (6)
C1—Er1—O2—Er2^ix	−158.3 (5)	O1—C1—C2—C3	−11.6 (13)
C12^i—Er1—O2—Er2^ix	2.0 (6)	O2—C1—C2—C3	168.1 (8)

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

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H1WB···O10^ix	0.84 (3)	2.10 (5)	2.853 (7)	149 (7)
O1W—H1WB···O11^ix	0.84 (3)	2.43 (7)	2.936 (8)	120 (7)
O2W—H2WA···O7^iv	0.83 (5)	1.98 (5)	2.784 (7)	163 (7)
O2W—H2WB···O6^v	0.84 (5)	1.87 (5)	2.715 (8)	178 (11)

Symmetry codes: (iv) −x, −y, −z+1; (v) −x+1, −y, −z+1; (ix) x−1, y, z.