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Two new metal coordination com­plexes, namely, poly[aqua­(μ6-benzene-1,2,4,5-tetra­carb­oxy­lic acid-κ8O1:O1,O2:O2′:O4:O4,O5:O5′)(μ-but-2-enedioato-κ2O1:O4)potassium(I)], [K2(C4H2O4)(C10H6O8)(H2O)2]n or [K2(fum)(H4btec)(H2O)2]n, (1), and poly[aqua­(μ8-2,5-di­carb­oxy­benzene-1,4-di­carboxyl­ato-κ12O1:O1′,O2:O2,O2′:O2′:O4:O4′,O5:O5,O5′:O5′)(μ-ethane­dioato-κ4O1,O2:O1′,O2′)strontium(II)], [Sr2(C2O4)(C10H4O8)(H2O)2]n or [Sr2(ox)(H2btec)(H2O)2]n, (2) (H4btec = ben­zene-1,2,4,5-tetra­carb­oxy­lic acid, H2btec = 2,5-di­carb­oxy­benzene-1,4-di­carboxyl­ate, fum = fumarate and ox = oxalate), have been obtained under hydro­thermal conditions by reacting the different alkali and alkaline earth metal salts with H4btec, fumaric acid (H2fum) and oxalic acid (H2ox). Complexes (1) and (2) were structurally characterized by single-crystal X-ray diffraction, IR and UV–Vis spectroscopy, powder X-ray diffraction (PXRD) and thermogravimetic analysis–differential scanning calorimetry (TGA–DSC). Complex (1) displays a two-dimensional (2D) layer with the K+ ion in a distorted penta­gonal bi­py­ramidal geometry and exhibits a uninodal 6-connected hxl/Shubnikov plane net (3,6) with {36.46.53} topology. Complex (2) displays a three-dimensional (3D) network structure, in which the Sr2+ ion is in a distorted monocapped square anti­prism geometry. The framework possess a binodal (5,8)-connected net with the Schläfli symbol {32.410.58.64.74}{32.46.52}2. The 3D Hirshfeld surfaces and 2D fingerprint plots show that the main inter­actions are the O...H/H...O inter­molecular inter­actions. Moreover, the thermal decom­positions of (1) and (2) in the temperature range 303–1273 K revealed that they both decom­pose in three steps and transform to the corresponding metal oxide.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S2053229621000085/oc3008sup1.cif
Contains datablocks K, Sr, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2053229621000085/oc3008Ksup2.hkl
Contains datablock K

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2053229621000085/oc3008Srsup3.hkl
Contains datablock Sr

pdf

Portable Document Format (PDF) file https://doi.org/10.1107/S2053229621000085/oc3008sup4.pdf
Additional figures

CCDC references: 2053685; 2053684

Computing details top

For both structures, data collection: APEX2 (Bruker, 2011); cell refinement: APEX2 (Bruker, 2011); data reduction: APEX2 (Bruker, 2011). Program(s) used to solve structure: SHELXS86 (Sheldrick, 2008) and SIR2004 (Burla et al., 2005) for K; SHELXS86 (Sheldrick, 2002) for Sr. For both structures, program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015). Molecular graphics: ORTEP-3 for Windows (Farrugia, 2012) and DIAMOND (Brandenburg & Berndt, 2001) for K; ORTEP-3 for Windows (Farrugia, 2012) for Sr. For both structures, software used to prepare material for publication: WinGX (Farrugia, 2012).

Poly[aqua(µ6-benzene-1,2,4,5-tetracarboxylic acid-κ8O1:O1,O2:O2':O4:O4,O5:O5')(µ-but-2-enedioato-κ2O1:O4)potassium(I)] (K) top
Crystal data top
[K2(C4H2O4)(C10H6O8)(H2O)2]F(000) = 492
Mr = 482.44Dx = 1.837 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 4306 reflections
a = 8.3359 (2) Åθ = 3.5–34.5°
b = 17.0987 (5) ŵ = 0.63 mm1
c = 6.5405 (2) ÅT = 295 K
β = 110.687 (2)°Prism, colorless
V = 872.13 (4) Å30.21 × 0.15 × 0.09 mm
Z = 2
Data collection top
Bruker APEXII
diffractometer
2975 reflections with I > 2σ(I)
Radiation source: Enraf–Nonius FR590Rint = 0.035
CCD rotation images, thick slices scansθmax = 34.8°, θmin = 2.4°
Absorption correction: multi-scan
(SADABS; Sheldrick, 2002)
h = 1313
Tmin = 0.674, Tmax = 0.747k = 2726
15178 measured reflectionsl = 1010
3759 independent reflections
Refinement top
Refinement on F2Hydrogen site location: mixed
Least-squares matrix: fullH atoms treated by a mixture of independent and constrained refinement
R[F2 > 2σ(F2)] = 0.041 w = 1/[σ2(Fo2) + (0.0634P)2 + 0.1981P]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.120(Δ/σ)max = 0.002
S = 1.06Δρmax = 0.51 e Å3
3759 reflectionsΔρmin = 0.46 e Å3
146 parametersExtinction correction: SHELXL2014 (Sheldrick, 2015), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
0 restraintsExtinction coefficient: 0.024 (5)
0 constraints
Special details top

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

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
C10.93580 (15)0.66677 (6)0.97381 (19)0.0185 (2)
C20.97022 (13)0.58054 (6)0.99383 (17)0.01600 (18)
C30.83263 (13)0.52835 (6)0.94466 (16)0.01586 (18)
C41.13694 (14)0.55191 (6)1.05042 (18)0.01697 (19)
H41.22860.58661.08510.02*
C50.65238 (14)0.55624 (7)0.90375 (18)0.01760 (19)
C61.11060 (14)0.60140 (6)0.55870 (17)0.01701 (19)
C71.07784 (14)0.51546 (6)0.53281 (19)0.0188 (2)
H71.17140.4820.56430.023*
O11.06794 (12)0.71036 (6)1.07318 (19)0.0296 (2)
H11.03990.75651.05540.044*
O20.79288 (13)0.69178 (6)0.86869 (18)0.0301 (2)
O1W0.41584 (15)0.73427 (8)0.00636 (19)0.0335 (2)
H1W0.338 (3)0.7621 (15)0.016 (4)0.05*
H2W0.370 (3)0.7013 (15)0.091 (4)0.05*
O30.60596 (13)0.57607 (6)1.05134 (16)0.0282 (2)
O40.55295 (12)0.55313 (6)0.69666 (15)0.0259 (2)
O51.26422 (11)0.62429 (6)0.62434 (18)0.0280 (2)
O60.98499 (12)0.64685 (5)0.51763 (18)0.0265 (2)
K10.63695 (4)0.66986 (2)0.39791 (5)0.02661 (10)
H20.447 (3)0.5705 (12)0.684 (3)0.04*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
C10.0178 (5)0.0124 (4)0.0240 (5)0.0003 (4)0.0057 (4)0.0001 (4)
C20.0152 (4)0.0111 (4)0.0200 (4)0.0012 (3)0.0040 (3)0.0003 (3)
C30.0143 (4)0.0130 (4)0.0187 (4)0.0014 (3)0.0038 (3)0.0000 (3)
C40.0150 (4)0.0117 (4)0.0225 (4)0.0003 (3)0.0046 (3)0.0001 (3)
C50.0157 (4)0.0129 (4)0.0226 (4)0.0009 (3)0.0048 (3)0.0005 (3)
C60.0155 (4)0.0111 (4)0.0220 (4)0.0002 (3)0.0036 (3)0.0005 (3)
C70.0176 (5)0.0112 (4)0.0251 (5)0.0007 (4)0.0042 (4)0.0002 (4)
O10.0199 (4)0.0121 (4)0.0491 (6)0.0003 (3)0.0028 (4)0.0007 (4)
O20.0203 (4)0.0158 (4)0.0451 (6)0.0038 (3)0.0003 (4)0.0009 (4)
O1W0.0268 (5)0.0388 (6)0.0351 (5)0.0012 (4)0.0109 (4)0.0030 (4)
O30.0243 (4)0.0335 (5)0.0285 (4)0.0057 (4)0.0114 (3)0.0034 (4)
O40.0162 (4)0.0330 (5)0.0238 (4)0.0039 (3)0.0013 (3)0.0034 (3)
O50.0150 (4)0.0169 (4)0.0459 (5)0.0020 (3)0.0031 (4)0.0008 (4)
O60.0172 (4)0.0124 (4)0.0468 (5)0.0013 (3)0.0076 (4)0.0004 (4)
K10.02380 (14)0.02474 (16)0.02974 (15)0.00048 (10)0.00754 (10)0.00155 (9)
Geometric parameters (Å, º) top
C1—O21.2231 (14)O1—H10.82
C1—O11.2982 (15)O2—K1iii2.7384 (10)
C1—C21.4989 (15)O2—K12.9127 (11)
C2—C41.3946 (15)O1W—K1iv2.7406 (12)
C2—C31.3980 (15)O1W—K12.7988 (12)
C3—C4i1.3937 (15)O1W—H1W0.82 (3)
C3—C51.5075 (15)O1W—H2W0.84 (3)
C4—C3i1.3938 (15)O3—K1v2.7134 (10)
C4—H40.93O4—K13.0429 (11)
C5—O31.2085 (14)O4—H20.91 (2)
C5—O41.3158 (14)O6—K12.7532 (10)
C6—O61.2545 (14)K1—O3vi2.7135 (10)
C6—O51.2605 (14)K1—O2iv2.7383 (10)
C6—C71.4932 (15)K1—O1Wiii2.7405 (12)
C7—C7ii1.325 (2)K1—K1iii4.2667 (4)
C7—H70.93K1—K1iv4.2667 (4)
O2—C1—O1124.50 (11)O3vi—K1—O2iv111.08 (4)
O2—C1—C2120.75 (10)O3vi—K1—O1Wiii134.06 (3)
O1—C1—C2114.74 (10)O2iv—K1—O1Wiii83.14 (4)
C4—C2—C3119.78 (10)O3vi—K1—O686.15 (3)
C4—C2—C1120.70 (10)O2iv—K1—O670.42 (3)
C3—C2—C1119.45 (9)O1Wiii—K1—O6138.53 (3)
C4i—C3—C2119.69 (10)O3vi—K1—O1W68.32 (3)
C4i—C3—C5118.51 (10)O2iv—K1—O1W76.80 (3)
C2—C3—C5121.61 (10)O1Wiii—K1—O1W73.49 (2)
C3i—C4—C2120.52 (10)O6—K1—O1W127.13 (3)
C3i—C4—H4119.7O3vi—K1—O2146.55 (3)
C2—C4—H4119.7O2iv—K1—O285.24 (3)
O3—C5—O4124.79 (11)O1Wiii—K1—O274.88 (3)
O3—C5—C3121.82 (10)O6—K1—O271.69 (3)
O4—C5—C3113.32 (9)O1W—K1—O2145.12 (3)
O6—C6—O5123.45 (11)O3vi—K1—O499.97 (3)
O6—C6—C7118.68 (10)O2iv—K1—O4146.52 (3)
O5—C6—C7117.86 (10)O1Wiii—K1—O484.13 (3)
C7ii—C7—C6123.27 (13)O6—K1—O4100.49 (3)
C7ii—C7—H7118.4O1W—K1—O4128.25 (3)
C6—C7—H7118.4O2—K1—O461.54 (3)
C1—O1—H1109.5O3vi—K1—K1iii173.77 (2)
C1—O2—K1iii130.91 (8)O2iv—K1—K1iii68.11 (3)
C1—O2—K1122.11 (9)O1Wiii—K1—K1iii40.13 (3)
K1iii—O2—K198.01 (3)O6—K1—K1iii99.16 (2)
K1iv—O1W—K1100.75 (4)O1W—K1—K1iii105.68 (3)
K1iv—O1W—H1W107.1 (17)O2—K1—K1iii39.460 (19)
K1—O1W—H1W115.9 (18)O4—K1—K1iii82.349 (19)
K1iv—O1W—H2W112.1 (17)O3vi—K1—K1iv76.41 (2)
K1—O1W—H2W114.1 (17)O2iv—K1—K1iv42.53 (2)
H1W—O1W—H2W107 (2)O1Wiii—K1—K1iv89.79 (3)
C5—O3—K1v150.49 (9)O6—K1—K1iv91.40 (2)
C5—O4—K1115.49 (8)O1W—K1—K1iv39.13 (2)
C5—O4—H2108.5 (13)O2—K1—K1iv127.36 (2)
K1—O4—H299.5 (13)O4—K1—K1iv167.372 (18)
C6—O6—K1149.93 (8)K1iii—K1—K1iv100.073 (13)
O2—C1—C2—C4159.54 (12)C2—C3—C5—O4106.52 (12)
O1—C1—C2—C419.78 (15)O6—C6—C7—C7ii0.4 (2)
O2—C1—C2—C317.30 (17)O5—C6—C7—C7ii179.31 (14)
O1—C1—C2—C3163.38 (11)O1—C1—O2—K1iii25.51 (19)
C4—C2—C3—C4i0.91 (17)C2—C1—O2—K1iii155.25 (8)
C1—C2—C3—C4i175.96 (10)O1—C1—O2—K1114.09 (12)
C4—C2—C3—C5174.06 (10)C2—C1—O2—K165.16 (14)
C1—C2—C3—C59.07 (15)O4—C5—O3—K1v124.08 (16)
C3—C2—C4—C3i0.92 (17)C3—C5—O3—K1v59.1 (2)
C1—C2—C4—C3i175.91 (10)O3—C5—O4—K1113.41 (12)
C4i—C3—C5—O398.71 (14)C3—C5—O4—K169.53 (11)
C2—C3—C5—O376.32 (15)O5—C6—O6—K1176.13 (12)
C4i—C3—C5—O478.45 (13)C7—C6—O6—K12.7 (2)
Symmetry codes: (i) x+2, y+1, z+2; (ii) x+2, y+1, z+1; (iii) x, y+3/2, z+1/2; (iv) x, y+3/2, z1/2; (v) x, y, z+1; (vi) x, y, z1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1—H1···O6iii0.821.712.5286 (13)179
O4—H2···O5vii0.91 (2)1.70 (2)2.5870 (13)164 (2)
O1W—H2W···O5viii0.84 (3)2.19 (3)3.0242 (16)172 (2)
O1W—H1W···O1viii0.82 (3)2.57 (2)3.1087 (15)124 (2)
O1W—H1W···O5ix0.82 (3)2.23 (3)2.9548 (16)147 (2)
O1—H1···O6iii0.821.712.5286 (13)179
O4—H2···O5vii0.91 (2)1.70 (2)2.5870 (13)164 (2)
O1W—H2W···O5viii0.84 (3)2.19 (3)3.0242 (16)172 (2)
O1W—H1W···O1viii0.82 (3)2.57 (2)3.1087 (15)124 (2)
O1W—H1W···O5ix0.82 (3)2.23 (3)2.9548 (16)147 (2)
O1—H1···O6iii0.821.712.5286 (13)179
O4—H2···O5vii0.91 (2)1.70 (2)2.5870 (13)164 (2)
O1W—H2W···O5viii0.84 (3)2.19 (3)3.0242 (16)172 (2)
O1W—H1W···O1viii0.82 (3)2.57 (2)3.1087 (15)124 (2)
O1W—H1W···O5ix0.82 (3)2.23 (3)2.9548 (16)147 (2)
Symmetry codes: (iii) x, y+3/2, z+1/2; (vii) x1, y, z; (viii) x1, y, z1; (ix) x1, y+3/2, z1/2.
Poly[aqua(µ8-2,5-dicarboxybenzene-1,4-dicarboxylato-κ12O1:O1',O2:O2,O2':O2':O4:O4',O5:O5,O5':O5')strontium(II)] (Sr) top
Crystal data top
[Sr2(C2O4)(C10H4O8)(H2O)2]Z = 1
Mr = 551.42F(000) = 268
Triclinic, P1Dx = 2.296 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 7.0691 (11) ÅCell parameters from 9963 reflections
b = 7.8482 (12) Åθ = 3.4–36.1°
c = 7.9767 (12) ŵ = 6.77 mm1
α = 99.938 (7)°T = 295 K
β = 107.918 (6)°Prism, colorless
γ = 101.824 (6)°0.23 × 0.19 × 0.11 mm
V = 398.74 (11) Å3
Data collection top
Bruker APEXII
diffractometer
3618 reflections with I > 2σ(I)
Radiation source: Enraf–Nonius FR590Rint = 0.015
CCD rotation images, thick slices scansθmax = 36.1°, θmin = 4.9°
Absorption correction: multi-scan
(SADABS; Sheldrick, 2002)
h = 1111
Tmin = 0.581, Tmax = 0.747k = 1012
10965 measured reflectionsl = 1013
3740 independent reflections
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: structure-invariant direct methods
R[F2 > 2σ(F2)] = 0.013Hydrogen site location: mixed
wR(F2) = 0.034H atoms treated by a mixture of independent and constrained refinement
S = 1.06 w = 1/[σ2(Fo2) + 0.0825P]
where P = (Fo2 + 2Fc2)/3
3740 reflections(Δ/σ)max = 0.003
136 parametersΔρmax = 0.58 e Å3
3 restraintsΔρmin = 0.39 e Å3
0 constraints
Special details top

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

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Sr10.83251 (2)0.14827 (2)0.63190 (2)0.00640 (2)
O1W0.76443 (11)0.10423 (10)0.77754 (10)0.01890 (13)
H1W0.839 (2)0.147 (2)0.857 (2)0.028*
H2W0.6406 (19)0.167 (2)0.735 (2)0.028*
O10.47464 (9)0.13075 (9)0.63408 (8)0.01216 (10)
O40.67613 (10)0.31300 (9)1.38704 (8)0.01358 (10)
O20.17158 (8)0.07297 (8)0.66983 (8)0.01006 (9)
O30.82622 (10)0.61042 (8)1.48312 (8)0.01383 (11)
O61.01120 (10)0.27809 (8)0.98772 (8)0.01337 (10)
C50.70583 (11)0.46351 (10)1.35895 (10)0.00873 (11)
C30.52885 (11)0.33677 (10)1.02990 (10)0.00801 (11)
H30.54950.22791.0510.01*
C40.60311 (10)0.48956 (10)1.17556 (9)0.00733 (10)
C20.42455 (10)0.34469 (9)0.85375 (9)0.00654 (10)
C61.02617 (11)0.43548 (10)1.06204 (10)0.00824 (11)
C10.35070 (10)0.17133 (10)0.70680 (9)0.00703 (10)
O51.08020 (10)0.50487 (8)1.23130 (8)0.01207 (10)
H330.866 (2)0.586 (2)1.590 (2)0.018*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Sr10.00662 (3)0.00655 (3)0.00545 (3)0.00224 (2)0.00138 (2)0.00092 (2)
O1W0.0150 (3)0.0172 (3)0.0204 (3)0.0002 (2)0.0007 (2)0.0123 (2)
O10.0097 (2)0.0136 (2)0.0123 (2)0.00336 (18)0.00543 (18)0.0018 (2)
O40.0173 (2)0.0099 (2)0.0096 (2)0.00085 (19)0.00012 (19)0.00492 (19)
O20.00706 (19)0.0099 (2)0.0103 (2)0.00033 (16)0.00204 (16)0.00049 (18)
O30.0209 (3)0.0091 (2)0.0055 (2)0.0025 (2)0.00186 (19)0.00082 (18)
O60.0210 (3)0.0087 (2)0.0081 (2)0.0061 (2)0.00131 (19)0.00126 (18)
C50.0103 (2)0.0093 (3)0.0055 (2)0.0028 (2)0.0012 (2)0.0022 (2)
C30.0101 (2)0.0065 (2)0.0060 (2)0.0023 (2)0.0010 (2)0.0012 (2)
C40.0087 (2)0.0073 (3)0.0050 (2)0.0022 (2)0.00111 (19)0.0014 (2)
C20.0072 (2)0.0066 (3)0.0049 (2)0.00169 (19)0.00135 (19)0.0008 (2)
C60.0094 (2)0.0086 (3)0.0058 (2)0.0028 (2)0.0011 (2)0.0022 (2)
C10.0076 (2)0.0071 (3)0.0055 (2)0.00268 (19)0.00124 (19)0.0008 (2)
O50.0188 (3)0.0106 (2)0.0046 (2)0.00406 (19)0.00135 (18)0.00158 (18)
Geometric parameters (Å, º) top
Sr1—O1W2.5012 (8)O2—C11.2558 (9)
Sr1—O12.5109 (7)O2—Sr1vii2.5263 (7)
Sr1—O2i2.5263 (7)O2—Sr1iv2.7024 (7)
Sr1—O4ii2.6148 (7)O3—C51.3114 (10)
Sr1—O5iii2.6181 (7)O3—Sr1iii3.2153 (8)
Sr1—O62.6377 (7)O3—H330.877 (16)
Sr1—O2iv2.7023 (7)O6—C61.2424 (10)
Sr1—O1iv2.7612 (7)C5—C41.4898 (10)
Sr1—C1iv3.0733 (8)C3—C21.3904 (10)
Sr1—O3iii3.2153 (8)C3—C41.3961 (10)
Sr1—Sr1v4.3687 (5)C3—H30.93
Sr1—Sr1iv4.4366 (7)C4—C2viii1.4022 (10)
Sr1—H2W2.941 (16)C2—C4viii1.4022 (10)
O1W—H1W0.852 (13)C2—C11.5099 (10)
O1W—H2W0.841 (13)C6—O51.2685 (9)
O1—C11.2526 (9)C6—C6iii1.5545 (15)
O1—Sr1iv2.7612 (7)C1—Sr1iv3.0733 (8)
O4—C51.2281 (10)O5—Sr1iii2.6180 (7)
O4—Sr1vi2.6148 (7)
O1W—Sr1—O177.03 (2)O2i—Sr1—Sr1iv135.979 (16)
O1W—Sr1—O2i83.69 (2)O4ii—Sr1—Sr1iv74.189 (16)
O1—Sr1—O2i160.64 (2)O5iii—Sr1—Sr1iv116.658 (16)
O1W—Sr1—O4ii146.31 (2)O6—Sr1—Sr1iv122.370 (17)
O1—Sr1—O4ii75.36 (2)O2iv—Sr1—Sr1iv78.169 (16)
O2i—Sr1—O4ii121.96 (2)O1iv—Sr1—Sr1iv30.991 (13)
O1W—Sr1—O5iii129.18 (2)C1iv—Sr1—Sr1iv54.925 (15)
O1—Sr1—O5iii86.72 (2)O3iii—Sr1—Sr1iv136.162 (13)
O2i—Sr1—O5iii107.19 (2)Sr1v—Sr1—Sr1iv106.797 (12)
O4ii—Sr1—O5iii67.90 (2)O1W—Sr1—H2W15.2 (3)
O1W—Sr1—O672.18 (3)O1—Sr1—H2W64.8 (3)
O1—Sr1—O693.95 (2)O2i—Sr1—H2W95.8 (3)
O2i—Sr1—O681.69 (2)O4ii—Sr1—H2W131.1 (3)
O4ii—Sr1—O6128.48 (2)O5iii—Sr1—H2W132.8 (3)
O5iii—Sr1—O661.19 (2)O6—Sr1—H2W82.9 (3)
O1W—Sr1—O2iv92.93 (3)O2iv—Sr1—H2W89.4 (3)
O1—Sr1—O2iv112.128 (19)O1iv—Sr1—H2W60.7 (3)
O2i—Sr1—O2iv66.70 (2)C1iv—Sr1—H2W72.0 (3)
O4ii—Sr1—O2iv80.07 (2)O3iii—Sr1—H2W155.7 (3)
O5iii—Sr1—O2iv137.44 (2)Sr1v—Sr1—H2W93.0 (3)
O6—Sr1—O2iv146.54 (2)Sr1iv—Sr1—H2W56.9 (3)
O1W—Sr1—O1iv73.19 (2)Sr1—O1W—H1W134.9 (11)
O1—Sr1—O1iv65.48 (2)Sr1—O1W—H2W113.7 (11)
O2i—Sr1—O1iv107.31 (2)H1W—O1W—H2W111.3 (15)
O4ii—Sr1—O1iv78.00 (2)C1—O1—Sr1152.60 (5)
O5iii—Sr1—O1iv140.61 (2)C1—O1—Sr1iv92.08 (4)
O6—Sr1—O1iv142.90 (2)Sr1—O1—Sr1iv114.52 (2)
O2iv—Sr1—O1iv47.781 (19)C5—O4—Sr1vi139.52 (5)
O1W—Sr1—C1iv80.08 (3)C1—O2—Sr1vii131.37 (5)
O1—Sr1—C1iv89.37 (2)C1—O2—Sr1iv94.77 (4)
O2i—Sr1—C1iv85.54 (2)Sr1vii—O2—Sr1iv113.30 (2)
O4ii—Sr1—C1iv80.68 (2)C5—O3—Sr1iii115.15 (5)
O5iii—Sr1—C1iv148.31 (2)C5—O3—H33109.5 (10)
O6—Sr1—C1iv150.50 (2)Sr1iii—O3—H33118.2 (10)
O2iv—Sr1—C1iv24.031 (18)C6—O6—Sr1121.27 (5)
O1iv—Sr1—C1iv24.035 (18)O4—C5—O3123.99 (7)
O1W—Sr1—O3iii143.99 (2)O4—C5—C4120.71 (7)
O1—Sr1—O3iii138.91 (2)O3—C5—C4115.30 (7)
O2i—Sr1—O3iii60.44 (2)C2—C3—C4121.07 (7)
O4ii—Sr1—O3iii66.56 (2)C2—C3—H3119.5
O5iii—Sr1—O3iii65.46 (2)C4—C3—H3119.5
O6—Sr1—O3iii97.71 (2)C3—C4—C2viii120.34 (7)
O2iv—Sr1—O3iii76.627 (19)C3—C4—C5116.31 (7)
O1iv—Sr1—O3iii118.27 (2)C2viii—C4—C5123.34 (6)
C1iv—Sr1—O3iii98.89 (2)C3—C2—C4viii118.59 (6)
O1W—Sr1—Sr1v88.17 (2)C3—C2—C1116.58 (6)
O1—Sr1—Sr1v141.129 (15)C4viii—C2—C1124.82 (6)
O2i—Sr1—Sr1v34.618 (14)O6—C6—O5126.98 (7)
O4ii—Sr1—Sr1v101.506 (19)O6—C6—C6iii117.90 (8)
O5iii—Sr1—Sr1v128.792 (16)O5—C6—C6iii115.12 (8)
O6—Sr1—Sr1v115.629 (17)O1—C1—O2123.86 (7)
O2iv—Sr1—Sr1v32.079 (13)O1—C1—C2118.01 (6)
O1iv—Sr1—Sr1v75.898 (17)O2—C1—C2118.06 (6)
C1iv—Sr1—Sr1v52.415 (16)O1—C1—Sr1iv63.88 (4)
O3iii—Sr1—Sr1v64.637 (16)O2—C1—Sr1iv61.20 (4)
O1W—Sr1—Sr1iv72.120 (18)C2—C1—Sr1iv171.05 (5)
O1—Sr1—Sr1iv34.489 (15)C6—O5—Sr1iii122.58 (5)
Sr1vi—O4—C5—O313.89 (14)Sr1iv—O1—C1—O212.78 (8)
Sr1vi—O4—C5—C4166.18 (6)Sr1—O1—C1—C223.27 (16)
Sr1iii—O3—C5—O4128.17 (7)Sr1iv—O1—C1—C2170.17 (6)
Sr1iii—O3—C5—C451.89 (8)Sr1—O1—C1—Sr1iv166.57 (13)
C2—C3—C4—C2viii0.65 (12)Sr1vii—O2—C1—O1140.14 (6)
C2—C3—C4—C5177.92 (6)Sr1iv—O2—C1—O113.10 (8)
O4—C5—C4—C319.42 (11)Sr1vii—O2—C1—C242.80 (9)
O3—C5—C4—C3160.64 (7)Sr1iv—O2—C1—C2169.85 (6)
O4—C5—C4—C2viii159.10 (8)Sr1vii—O2—C1—Sr1iv127.05 (6)
O3—C5—C4—C2viii20.84 (11)C3—C2—C1—O185.84 (9)
C4—C3—C2—C4viii0.64 (12)C4viii—C2—C1—O193.59 (9)
C4—C3—C2—C1179.89 (6)C3—C2—C1—O291.39 (8)
Sr1—O6—C6—O5168.87 (6)C4viii—C2—C1—O289.18 (9)
Sr1—O6—C6—C6iii11.05 (11)O6—C6—O5—Sr1iii168.67 (6)
Sr1—O1—C1—O2153.79 (9)C6iii—C6—O5—Sr1iii11.41 (11)
Symmetry codes: (i) x+1, y, z; (ii) x, y, z1; (iii) x+2, y+1, z+2; (iv) x+1, y, z+1; (v) x+2, y, z+1; (vi) x, y, z+1; (vii) x1, y, z; (viii) x+1, y+1, z+2.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1W—H1W···O6ix0.851.952.7973 (4)172
O1W—H2W···O4x0.842.122.9594 (5)175
O3—H33···O5xi0.877 (16)1.677 (15)2.5446 (4)168.00
Symmetry codes: (ix) x+2, y, z+2; (x) x+1, y, z+2; (xi) x+2, y+1, z+3.
 

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