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The solvothermal reaction of gallium oxide with phospho­ric acid in water/ethyl­ene glycol in the presence of piperazine gave the title compound, bis­(piperazinium) bis­(di­hydrogen­phos­phato)tetra-μ2-hydrogenphosphato-di-μ3-hydroxo-di-μ3-phosphato-tetra­gallate(III), (C4H12N2)3[Ga4(OH)2(H2PO4)2(HPO4)4(PO4)2]. The compound is isostructural with its FeIII analogue, and contains one-dimensional anionic chains with piperazinium cations lying between them. The tetranuclear anionic building blocks and the piperazinium cations lie on inversion centres.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806045375/bi2081sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806045375/bi2081Isup2.hkl
Contains datablock I

CCDC reference: 629434

Key indicators

  • Single-crystal X-ray study
  • T = 295 K
  • Mean [sigma](C-C) = 0.006 Å
  • R factor = 0.029
  • wR factor = 0.078
  • Data-to-parameter ratio = 13.7

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT420_ALERT_2_B D-H Without Acceptor O17 - H17 ... ?
Alert level C PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ? PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 2.00 Ratio PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for N1 PLAT731_ALERT_1_C Bond Calc 0.81(4), Rep 0.820(10) ...... 4.00 su-Ra O8 -H8 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.82(3), Rep 0.820(10) ...... 3.00 su-Ra O12 -H12 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.81(4), Rep 0.810(10) ...... 4.00 su-Ra O15 -H15 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.81(4), Rep 0.820(10) ...... 4.00 su-Ra O8 -H8 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.82(3), Rep 0.820(10) ...... 3.00 su-Ra O12 -H12 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.81(4), Rep 0.810(10) ...... 4.00 su-Ra O15 -H15 1.555 1.555 PLAT736_ALERT_1_C H...A Calc 1.88(4), Rep 1.880(10) ...... 4.00 su-Ra H8 -O4 1.555 1.455 PLAT736_ALERT_1_C H...A Calc 1.73(4), Rep 1.730(10) ...... 4.00 su-Ra H12 -O16 1.555 2.555 PLAT736_ALERT_1_C H...A Calc 2.04(3), Rep 2.030(10) ...... 3.00 su-Ra H15 -O3 1.555 2.566 PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) . 1.19 Ratio
Alert level G FORMU01_ALERT_1_G There is a discrepancy between the atom counts in the _chemical_formula_sum and _chemical_formula_moiety. This is usually due to the moiety formula being in the wrong format. Atom count from _chemical_formula_sum: C12 H46 Ga4 N6 O34 P8 Atom count from _chemical_formula_moiety:C120 H360 N6300 O1020 P240
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 14 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 13 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 0 ALERT type 5 Informative message, check

Computing details top

Data collection: SMART (Bruker, 1997); cell refinement: SAINT (Bruker, 1997); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Bruker, 2001); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Bis(piperazinium) bis(dihydrogenphosphato)tetra-µ2-hydrogenphosphato- di-µ3-hydroxo-di-µ3-phosphato-tetragallate(III) top
Crystal data top
(C4H12N2)3[Ga4(OH)2(H2PO4)2(HPO4)4(PO4)2]Z = 1
Mr = 1345.19F(000) = 676
Triclinic, P1Dx = 2.298 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 6.2754 (3) ÅCell parameters from 6645 reflections
b = 13.0604 (5) Åθ = 3.0–28.1°
c = 13.6268 (6) ŵ = 3.20 mm1
α = 117.208 (1)°T = 295 K
β = 98.796 (1)°Needle, colourless
γ = 93.053 (1)°0.50 × 0.15 × 0.10 mm
V = 971.90 (7) Å3
Data collection top
Bruker SMART 1K CCD
diffractometer
4155 independent reflections
Radiation source: fine-focus sealed tube3742 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.037
ω scansθmax = 28.1°, θmin = 1.7°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 88
Tmin = 0.512, Tmax = 0.726k = 1616
9405 measured reflectionsl = 1717
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.029Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.078H atoms treated by a mixture of independent and constrained refinement
S = 1.03 w = 1/[σ2(Fo2) + (0.0443P)2 + 0.7591P]
where P = (Fo2 + 2Fc2)/3
4155 reflections(Δ/σ)max = 0.001
304 parametersΔρmax = 0.76 e Å3
5 restraintsΔρmin = 0.73 e Å3
Special details top

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 (Å2) top
xyzUiso*/Ueq
Ga10.17098 (4)0.35530 (2)0.23964 (2)0.01109 (9)
Ga20.51621 (4)0.61654 (2)0.49250 (2)0.01162 (9)
P10.67664 (10)0.39526 (5)0.31399 (5)0.01054 (14)
P20.17618 (11)0.62581 (5)0.29816 (5)0.01215 (14)
P30.08049 (11)0.24252 (6)0.02624 (6)0.01387 (15)
P40.14848 (11)0.16429 (5)0.32991 (6)0.01353 (14)
O10.4732 (3)0.34862 (15)0.21935 (15)0.0132 (4)
O20.1219 (3)0.36538 (17)0.26491 (16)0.0187 (4)
O30.3361 (3)0.65857 (15)0.60594 (15)0.0142 (4)
O40.6940 (3)0.52964 (15)0.38366 (15)0.0150 (4)
O50.1689 (3)0.49589 (16)0.22294 (16)0.0172 (4)
O60.2284 (3)0.69390 (16)0.23761 (16)0.0193 (4)
O70.3379 (3)0.67140 (16)0.40864 (17)0.0222 (4)
O80.0531 (3)0.65631 (18)0.3263 (2)0.0251 (5)
H80.113 (6)0.621 (3)0.353 (3)0.038*
O90.0432 (3)0.35564 (17)0.03871 (17)0.0199 (4)
H90.090 (6)0.340 (3)0.1039 (13)0.030*
O100.0858 (3)0.26177 (16)0.07626 (15)0.0160 (4)
O110.3140 (3)0.21481 (19)0.0259 (2)0.0272 (5)
O120.0017 (4)0.14770 (19)0.12953 (18)0.0297 (5)
H120.076 (6)0.086 (2)0.176 (3)0.045*
O130.1649 (3)0.20857 (16)0.24506 (16)0.0169 (4)
O140.7171 (3)0.75314 (16)0.55420 (16)0.0190 (4)
O150.0965 (3)0.15218 (18)0.3437 (2)0.0249 (5)
H150.157 (6)0.209 (2)0.370 (3)0.037*
O160.2094 (4)0.04272 (16)0.28906 (17)0.0228 (4)
O170.3037 (3)0.45211 (15)0.41223 (15)0.0127 (4)
H170.195 (3)0.465 (3)0.439 (3)0.019*
N10.5940 (4)0.1043 (2)0.0372 (2)0.0278 (6)
H1C0.50250.14830.02220.033*
H1D0.69820.14650.06710.033*
N20.5715 (4)0.5805 (2)0.0373 (2)0.0253 (5)
H2C0.69890.55830.05620.030*
H2D0.54870.64120.05010.030*
N30.3831 (5)0.0810 (2)0.3895 (2)0.0298 (6)
H3C0.33420.15440.33540.036*
H3D0.33590.03260.36330.036*
C10.4750 (8)0.0736 (3)0.1180 (3)0.0507 (12)
H1A0.57500.03020.13780.061*
H1B0.40730.14370.18600.061*
C20.6957 (7)0.0018 (3)0.0690 (4)0.0552 (13)
H2A0.77150.02030.12240.066*
H2B0.80120.04690.05370.066*
C30.5857 (5)0.6180 (3)0.0849 (3)0.0222 (6)
H3A0.45580.65120.10760.027*
H3B0.71020.67770.12830.027*
C40.2930 (6)0.0589 (3)0.4915 (3)0.0353 (8)
H4A0.33610.11430.51720.042*
H4B0.13520.06950.47270.042*
C50.3920 (5)0.4822 (3)0.1097 (3)0.0243 (6)
H5A0.39570.45650.18840.029*
H5B0.25270.50890.09650.029*
C60.6242 (6)0.0636 (3)0.4152 (3)0.0345 (8)
H6A0.67890.07610.34840.041*
H6B0.67610.11930.43860.041*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ga10.01051 (15)0.01008 (14)0.01066 (15)0.00174 (10)0.00143 (10)0.00337 (11)
Ga20.01470 (16)0.00928 (14)0.00940 (14)0.00181 (10)0.00160 (10)0.00340 (11)
P10.0093 (3)0.0102 (3)0.0099 (3)0.0013 (2)0.0018 (2)0.0029 (2)
P20.0143 (3)0.0104 (3)0.0108 (3)0.0017 (2)0.0009 (2)0.0048 (3)
P30.0141 (3)0.0120 (3)0.0116 (3)0.0008 (2)0.0011 (2)0.0034 (3)
P40.0162 (3)0.0086 (3)0.0124 (3)0.0001 (2)0.0005 (2)0.0032 (3)
O10.0109 (8)0.0151 (9)0.0105 (8)0.0024 (7)0.0024 (7)0.0032 (7)
O20.0123 (9)0.0223 (10)0.0186 (10)0.0034 (7)0.0058 (7)0.0063 (8)
O30.0164 (9)0.0144 (9)0.0135 (9)0.0039 (7)0.0054 (7)0.0072 (7)
O40.0173 (9)0.0105 (9)0.0135 (9)0.0007 (7)0.0057 (7)0.0019 (7)
O50.0254 (10)0.0109 (9)0.0133 (9)0.0034 (7)0.0017 (8)0.0046 (8)
O60.0269 (11)0.0160 (9)0.0156 (10)0.0000 (8)0.0021 (8)0.0088 (8)
O70.0316 (12)0.0123 (9)0.0158 (10)0.0025 (8)0.0075 (8)0.0047 (8)
O80.0181 (10)0.0231 (11)0.0375 (13)0.0049 (8)0.0118 (9)0.0151 (10)
O90.0233 (11)0.0195 (10)0.0167 (10)0.0002 (8)0.0007 (8)0.0101 (9)
O100.0184 (10)0.0158 (9)0.0099 (9)0.0050 (7)0.0011 (7)0.0036 (7)
O110.0170 (11)0.0306 (12)0.0385 (13)0.0024 (9)0.0003 (9)0.0221 (11)
O120.0315 (12)0.0227 (11)0.0165 (10)0.0057 (9)0.0014 (9)0.0045 (9)
O130.0228 (10)0.0118 (9)0.0133 (9)0.0023 (7)0.0007 (7)0.0044 (8)
O140.0254 (11)0.0137 (9)0.0124 (9)0.0054 (8)0.0020 (8)0.0041 (8)
O150.0191 (11)0.0220 (11)0.0344 (12)0.0010 (8)0.0055 (9)0.0141 (10)
O160.0336 (12)0.0100 (9)0.0193 (10)0.0048 (8)0.0013 (9)0.0041 (8)
O170.0124 (9)0.0135 (9)0.0114 (8)0.0028 (7)0.0038 (7)0.0045 (7)
N10.0234 (13)0.0160 (12)0.0433 (17)0.0095 (10)0.0145 (12)0.0103 (12)
N20.0270 (13)0.0250 (13)0.0275 (14)0.0018 (10)0.0028 (11)0.0168 (12)
N30.0444 (17)0.0153 (12)0.0239 (13)0.0017 (11)0.0041 (12)0.0079 (11)
C10.100 (4)0.0215 (17)0.0202 (17)0.017 (2)0.0047 (19)0.0027 (14)
C20.042 (2)0.0233 (18)0.075 (3)0.0031 (16)0.029 (2)0.014 (2)
C30.0189 (14)0.0197 (14)0.0224 (14)0.0016 (11)0.0024 (11)0.0059 (12)
C40.0373 (19)0.0249 (16)0.0372 (19)0.0021 (14)0.0041 (15)0.0109 (15)
C50.0213 (15)0.0285 (16)0.0214 (14)0.0004 (12)0.0009 (11)0.0121 (13)
C60.040 (2)0.0243 (16)0.0314 (18)0.0051 (14)0.0067 (15)0.0064 (14)
Geometric parameters (Å, º) top
Ga1—O21.9212 (19)O15—H150.81 (1)
Ga1—O131.9499 (18)O17—Ga2i2.1190 (18)
Ga1—O51.9512 (18)O17—H170.81 (1)
Ga1—O101.9530 (18)N1—C11.454 (5)
Ga1—O11.9586 (18)N1—C21.487 (5)
Ga1—O172.0959 (18)N1—H1C0.900
Ga2—O71.8746 (19)N1—H1D0.900
Ga2—O141.8823 (19)N2—C31.491 (4)
Ga2—O31.9474 (18)N2—C51.496 (4)
Ga2—O41.9583 (18)N2—H2C0.900
Ga2—O17i2.1191 (18)N2—H2D0.900
Ga2—O172.1651 (18)N3—C61.481 (5)
P1—O2ii1.5069 (19)N3—C41.492 (5)
P1—O11.5362 (18)N3—H3C0.900
P1—O3i1.5535 (19)N3—H3D0.900
P1—O41.5549 (18)C1—C2iv1.492 (6)
P2—O71.517 (2)C1—H1A0.970
P2—O61.517 (2)C1—H1B0.970
P2—O51.5228 (19)C2—C1iv1.492 (6)
P2—O81.570 (2)C2—H2A0.970
P3—O111.492 (2)C2—H2B0.970
P3—O101.5192 (18)C3—C5v1.503 (4)
P3—O121.563 (2)C3—H3A0.970
P3—O91.572 (2)C3—H3B0.970
P4—O161.5160 (19)C4—C6vi1.515 (5)
P4—O14i1.5190 (19)C4—H4A0.970
P4—O131.524 (2)C4—H4B0.970
P4—O151.585 (2)C5—C3v1.503 (4)
O2—P1iii1.5069 (19)C5—H5A0.970
O3—P1i1.5535 (19)C5—H5B0.970
O8—H80.82 (1)C6—C4vi1.515 (5)
O9—H90.82 (1)C6—H6A0.970
O12—H120.82 (1)C6—H6B0.970
O14—P4i1.5190 (19)
O2—Ga1—O1390.37 (8)P4—O13—Ga1138.52 (12)
O2—Ga1—O589.56 (8)P4i—O14—Ga2135.72 (12)
O13—Ga1—O5176.00 (8)P4—O15—H15120 (3)
O2—Ga1—O1095.07 (8)Ga1—O17—Ga2i123.73 (8)
O13—Ga1—O1086.64 (8)Ga1—O17—Ga2125.78 (9)
O5—Ga1—O1089.38 (8)Ga2i—O17—Ga294.30 (7)
O2—Ga1—O1178.05 (8)Ga1—O17—H17101 (2)
O13—Ga1—O189.92 (8)Ga2i—O17—H17103 (2)
O5—Ga1—O190.29 (8)Ga2—O17—H17106 (2)
O10—Ga1—O186.87 (8)C1—N1—C2110.7 (3)
O2—Ga1—O1792.28 (8)C1—N1—H1C109.5
O13—Ga1—O1792.40 (7)C2—N1—H1C109.5
O5—Ga1—O1791.60 (7)C1—N1—H1D109.5
O10—Ga1—O17172.60 (7)C2—N1—H1D109.5
O1—Ga1—O1785.78 (7)H1C—N1—H1D108.1
O7—Ga2—O1490.22 (9)C3—N2—C5112.1 (2)
O7—Ga2—O392.91 (9)C3—N2—H2C109.2
O14—Ga2—O3101.00 (8)C5—N2—H2C109.2
O7—Ga2—O4100.09 (9)C3—N2—H2D109.2
O14—Ga2—O491.66 (8)C5—N2—H2D109.2
O3—Ga2—O4161.83 (8)H2C—N2—H2D107.9
O7—Ga2—O17i175.71 (8)C6—N3—C4111.3 (3)
O14—Ga2—O17i93.46 (8)C6—N3—H3C109.4
O3—Ga2—O17i84.22 (7)C4—N3—H3C109.4
O4—Ga2—O17i82.03 (7)C6—N3—H3D109.4
O7—Ga2—O1790.81 (8)C4—N3—H3D109.4
O14—Ga2—O17175.17 (8)H3C—N3—H3D108.0
O3—Ga2—O1783.66 (7)N1—C1—C2iv110.2 (3)
O4—Ga2—O1783.52 (7)N1—C1—H1A109.6
O17i—Ga2—O1785.70 (7)C2iv—C1—H1A109.6
O2ii—P1—O1110.15 (11)N1—C1—H1B109.6
O2ii—P1—O3i108.70 (11)C2iv—C1—H1B109.6
O1—P1—O3i110.62 (10)H1A—C1—H1B108.1
O2ii—P1—O4109.04 (11)N1—C2—C1iv110.0 (3)
O1—P1—O4109.66 (10)N1—C2—H2A109.7
O3i—P1—O4108.64 (10)C1iv—C2—H2A109.7
O7—P2—O6109.64 (12)N1—C2—H2B109.7
O7—P2—O5112.67 (11)C1iv—C2—H2B109.7
O6—P2—O5110.90 (11)H2A—C2—H2B108.2
O7—P2—O8107.81 (13)N2—C3—C5v111.4 (2)
O6—P2—O8104.07 (12)N2—C3—H3A109.3
O5—P2—O8111.36 (12)C5v—C3—H3A109.3
O11—P3—O10117.07 (12)N2—C3—H3B109.3
O11—P3—O12113.12 (14)C5v—C3—H3B109.3
O10—P3—O12105.33 (11)H3A—C3—H3B108.0
O11—P3—O9110.66 (12)N3—C4—C6vi110.5 (3)
O10—P3—O9105.89 (11)N3—C4—H4A109.6
O12—P3—O9103.67 (13)C6vi—C4—H4A109.6
O16—P4—O14i110.83 (11)N3—C4—H4B109.6
O16—P4—O13111.70 (12)C6vi—C4—H4B109.6
O14i—P4—O13112.09 (11)H4A—C4—H4B108.1
O16—P4—O15104.79 (12)N2—C5—C3v111.0 (2)
O14i—P4—O15107.08 (12)N2—C5—H5A109.4
O13—P4—O15110.00 (11)C3v—C5—H5A109.4
P1—O1—Ga1125.91 (11)N2—C5—H5B109.4
P1iii—O2—Ga1165.68 (14)C3v—C5—H5B109.4
P1i—O3—Ga2126.09 (10)H5A—C5—H5B108.0
P1—O4—Ga2126.95 (11)N3—C6—C4vi109.5 (3)
P2—O5—Ga1137.72 (12)N3—C6—H6A109.8
P2—O7—Ga2140.06 (12)C4vi—C6—H6A109.8
P2—O8—H8118 (3)N3—C6—H6B109.8
P3—O9—H9109 (3)C4vi—C6—H6B109.8
P3—O10—Ga1143.80 (12)H6A—C6—H6B108.2
P3—O12—H12124 (3)
O2ii—P1—O1—Ga1175.43 (12)O12—P3—O10—Ga1175.8 (2)
O3i—P1—O1—Ga155.23 (15)O9—P3—O10—Ga166.4 (2)
O4—P1—O1—Ga164.57 (15)O2—Ga1—O10—P336.5 (2)
O13—Ga1—O1—P187.38 (13)O13—Ga1—O10—P3126.6 (2)
O5—Ga1—O1—P196.61 (13)O5—Ga1—O10—P353.0 (2)
O10—Ga1—O1—P1174.02 (14)O1—Ga1—O10—P3143.3 (2)
O17—Ga1—O1—P15.03 (13)O16—P4—O13—Ga1165.63 (16)
O13—Ga1—O2—P1iii103.5 (5)O14i—P4—O13—Ga140.6 (2)
O5—Ga1—O2—P1iii80.5 (5)O15—P4—O13—Ga178.4 (2)
O10—Ga1—O2—P1iii169.9 (5)O2—Ga1—O13—P464.95 (19)
O17—Ga1—O2—P1iii11.1 (5)O10—Ga1—O13—P4160.01 (19)
O7—Ga2—O3—P1i157.06 (14)O1—Ga1—O13—P4113.11 (18)
O14—Ga2—O3—P1i112.15 (14)O17—Ga1—O13—P427.34 (19)
O4—Ga2—O3—P1i21.2 (3)O7—Ga2—O14—P4i137.80 (19)
O17i—Ga2—O3—P1i19.73 (13)O3—Ga2—O14—P4i44.78 (19)
O17—Ga2—O3—P1i66.57 (13)O4—Ga2—O14—P4i122.11 (18)
O2ii—P1—O4—Ga2165.27 (13)O17i—Ga2—O14—P4i39.99 (19)
O1—P1—O4—Ga274.05 (15)O2—Ga1—O17—Ga2i114.18 (11)
O3i—P1—O4—Ga246.95 (16)O13—Ga1—O17—Ga2i23.72 (11)
O7—Ga2—O4—P1105.99 (14)O5—Ga1—O17—Ga2i156.20 (11)
O14—Ga2—O4—P1163.50 (14)O1—Ga1—O17—Ga2i66.03 (10)
O3—Ga2—O4—P129.0 (3)O2—Ga1—O17—Ga2119.51 (11)
O17i—Ga2—O4—P170.23 (14)O13—Ga1—O17—Ga2150.03 (11)
O17—Ga2—O4—P116.32 (13)O5—Ga1—O17—Ga229.88 (11)
O7—P2—O5—Ga141.8 (2)O1—Ga1—O17—Ga260.29 (10)
O6—P2—O5—Ga1165.16 (16)O7—Ga2—O17—Ga144.73 (12)
O8—P2—O5—Ga179.5 (2)O3—Ga2—O17—Ga1137.58 (11)
O2—Ga1—O5—P272.31 (19)O4—Ga2—O17—Ga155.33 (11)
O10—Ga1—O5—P2167.38 (19)O17i—Ga2—O17—Ga1137.78 (13)
O1—Ga1—O5—P2105.75 (19)O7—Ga2—O17—Ga2i177.49 (9)
O17—Ga1—O5—P219.96 (19)O3—Ga2—O17—Ga2i84.65 (7)
O6—P2—O7—Ga2133.0 (2)O4—Ga2—O17—Ga2i82.45 (8)
O5—P2—O7—Ga28.9 (3)O17i—Ga2—O17—Ga2i0.0
O8—P2—O7—Ga2114.4 (2)C2—N1—C1—C2iv58.1 (5)
O14—Ga2—O7—P2149.9 (2)C1—N1—C2—C1iv58.0 (5)
O3—Ga2—O7—P2109.1 (2)C5—N2—C3—C5v54.9 (3)
O4—Ga2—O7—P258.1 (2)C6—N3—C4—C6vi58.2 (4)
O17—Ga2—O7—P225.4 (2)C3—N2—C5—C3v54.6 (4)
O11—P3—O10—Ga157.5 (3)C4—N3—C6—C4vi57.6 (4)
Symmetry codes: (i) x+1, y+1, z+1; (ii) x+1, y, z; (iii) x1, y, z; (iv) x1, y, z; (v) x+1, y+1, z; (vi) x+1, y, z+1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N1—H1D···O10iii0.902.052.884 (3)153
N1—H1C···O110.901.802.691 (3)171
N3—H3C···O6vii0.901.822.717 (3)174
N3—H3D···O160.901.842.726 (3)170
O8—H8···O4iii0.82 (1)1.88 (1)2.674 (3)166 (4)
O12—H12···O16viii0.82 (1)1.73 (1)2.540 (3)171 (4)
O15—H15···O3ix0.81 (1)2.03 (1)2.829 (3)166 (4)
Symmetry codes: (iii) x1, y, z; (vii) x, y1, z; (viii) x, y, z; (ix) x, y+1, z+1.
 

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