Diammonium tris­[hexa­aqua­cobalt(II)] tetra­kis­[hydrogenphosphate(III)], (NH₄)₂[Co(H₂O)₆]₃(HPO₃)₄

(NH₄)₂[Co(H₂O)₆]₃(HPO₃)₄ is a member of the isotypic (NH₄)₂[T(H₂O)₆]₃(HPO₃)₄ family, where T = Co, Ni or Mg. The structure of (NH₄)₂[Co(H₂O)₆]₃(HPO₃)₄ is composed of the units [Co(H₂O)₆]²⁺, (HPO₃)^2- and NH₄⁺, which inter­act via an intricate network of hydrogen bonds. One of the Co atoms is located at a site of 2/m symmetry, whereas the other central atoms, viz. the second Co, the two P and ammonium N atom, are located at sites of m symmetry.

Key indicators

• Single-crystal X-ray study
• T = 296 K
• Mean [sigma](P-O) = 0.001 Å
• R factor = 0.021
• wR factor = 0.073
• Data-to-parameter ratio = 11.7

checkCIF/PLATON results

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Computing details

Data collection: CrysAlis CCD (Oxford Diffraction, 2004); cell refinement: CrysAlis RED (Oxford Diffraction, 2004); data reduction: CrysAlis RED; program(s) used to solve structure: SIR2002 (Burla et al., 2003); program(s) used to refine structure: JANA2000 (Petricek et al., 2000); molecular graphics: DIAMOND (Brandenburg & Putz, 2005); software used to prepare material for publication: JANA2000.

Diammonium tris[hexaaquacobalt(II)] tetrakis[hydrogenphosphate(III)]

Crystal data

(NH4)2[Co(H2O)6]3(HPO3)4	F(000) = 886
Mr = 857.1	Dx = 1.900 Mg m^−3
Monoclinic, C2/m	Mo Kα radiation, λ = 0.71069 Å
Hall symbol: -C 2y	Cell parameters from 9315 reflections
a = 34.3914 (14) Å	θ = 3.3–26.4°
b = 7.0397 (3) Å	µ = 1.97 mm^−1
c = 6.1873 (3) Å	T = 296 K
β = 91.638 (3)°	Plate, pink
V = 1497.36 (11) Å^3	0.34 × 0.21 × 0.03 mm
Z = 2

Data collection

Oxford Diffraction CCD diffractometer	1666 independent reflections
Radiation source: X-ray tube	1546 reflections with I > 3σ(I)
Graphite monochromator	Rint = 0.022
Detector resolution: 8.3438 pixels mm^-1	θmax = 26.4°, θmin = 3.3°
ω scans	h = −42→42
Absorption correction: analytical (CrysAlis RED; Oxford Diffraction, 2004)	k = −8→8
Tmin = 0.420, Tmax = 0.795	l = −7→7
9315 measured reflections

Refinement

Refinement on F^2	15 constraints
R[F > 3σ(F)] = 0.021	H atoms treated by a mixture of independent and constrained refinement
wR(F) = 0.073	Weighting scheme based on measured s.u.'s w = 1/[σ^2(I) + 0.0016I^2]
S = 1.53	(Δ/σ)max = 0.005
1666 reflections	Δρmax = 0.23 e Å^−3
143 parameters	Δρmin = −0.31 e Å^−3
13 restraints

Special details

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors are based on F, with F set to zero for negative F². The threshold expression of F² > n*σ(F²) is used only for calculating R-factors etc. and is not relevant to the choice of reflections for refinement.

The hydrogen atoms were localized from the difference Fourier map. Their coordinates were refined independently. The O—H distances were restrained to 0.82 Å with σ 0.01. The N—H distances were restrained to 0.87 Å with σ 0.01. The isotropic temperature parameters of hydrogen atoms were calculated as 1.2*U_eq of the parent atom.

The program used for refinement, JANA2000, uses the weighting scheme based on the experimental expectations, see _refine_ls_weighting_details, that does not force S to be one. Therefore the values of S are usually larger then the ones from the SHELX program.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
P1	0.047223 (15)	0	0.34458 (8)	0.01416 (16)
P2	0.205172 (16)	0.5	0.37698 (9)	0.01530 (16)
Co1	0.166897 (8)	0	0.74964 (5)	0.01732 (11)
Co2	0	0.5	0	0.01656 (13)
O1	0.05783 (3)	0.17988 (16)	0.47032 (18)	0.0213 (3)
O2	0.06344 (5)	0	0.1175 (2)	0.0223 (5)
O3	0.16094 (5)	0.5	0.4041 (3)	0.0243 (5)
O4	0.21894 (3)	0.31957 (16)	0.26610 (19)	0.0227 (3)
O5	0.19059 (5)	0	0.4354 (3)	0.0224 (5)
O6	0.20518 (3)	−0.21230 (19)	0.8472 (2)	0.0262 (4)
O7	0.14024 (5)	0	1.0539 (3)	0.0474 (8)
O8	0.12927 (3)	0.22317 (17)	0.6516 (2)	0.0235 (4)
O9	−0.03601 (4)	0.29200 (18)	0.12820 (19)	0.0277 (4)
O10	0.03786 (6)	0.5	0.2667 (3)	0.0349 (6)
N1	0.11707 (7)	0.5	0.0133 (4)	0.0323 (7)
H1	0.0092 (7)	0	0.321 (4)	0.017*
H2	0.2190 (7)	0.5	0.559 (4)	0.0184*
H5	0.2025 (5)	−0.0923 (19)	0.397 (3)	0.0268*
H61	0.2273 (3)	−0.210 (3)	0.805 (3)	0.0315*
H62	0.2064 (6)	−0.242 (3)	0.9728 (17)	0.0315*
H71	0.1538 (10)	0	1.163 (4)	0.0569*
H72	0.1169 (3)	0	1.074 (6)	0.0569*
H81	0.1399 (6)	0.299 (2)	0.573 (3)	0.0282*
H82	0.1086 (4)	0.203 (3)	0.587 (3)	0.0282*
H91	−0.0433 (6)	0.200 (2)	0.058 (3)	0.0332*
H92	−0.0385 (6)	0.267 (3)	0.2538 (17)	0.0332*
H100	0.0452 (6)	0.405 (2)	0.330 (3)	0.0419*
H110	0.1295 (9)	0.5	0.138 (3)	0.0387*
H112	0.1224 (6)	0.593 (2)	−0.072 (3)	0.0387*
H113	0.0944 (5)	0.5	0.071 (5)	0.0387*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
P1	0.0145 (3)	0.0151 (3)	0.0129 (3)	0	0.0001 (2)	0
P2	0.0157 (3)	0.0148 (3)	0.0154 (3)	0	0.0015 (2)	0
Co1	0.01451 (19)	0.0206 (2)	0.01686 (19)	0	0.00045 (12)	0
Co2	0.0202 (2)	0.0151 (2)	0.0143 (2)	0	−0.00017 (16)	0
O1	0.0285 (6)	0.0156 (6)	0.0198 (5)	0.0007 (4)	−0.0024 (4)	−0.0020 (4)
O2	0.0249 (8)	0.0266 (8)	0.0154 (8)	0	0.0042 (6)	0
O3	0.0163 (8)	0.0262 (9)	0.0307 (9)	0	0.0041 (6)	0
O4	0.0251 (6)	0.0168 (6)	0.0265 (6)	0.0001 (5)	0.0059 (5)	−0.0039 (5)
O5	0.0273 (9)	0.0151 (8)	0.0250 (8)	0	0.0075 (7)	0
O6	0.0193 (6)	0.0359 (7)	0.0236 (6)	0.0053 (5)	0.0016 (5)	0.0086 (5)
O7	0.0185 (9)	0.1078 (19)	0.0159 (9)	0	0.0019 (7)	0
O8	0.0170 (6)	0.0241 (6)	0.0293 (6)	−0.0008 (5)	−0.0016 (5)	0.0029 (5)
O9	0.0430 (7)	0.0231 (6)	0.0172 (6)	−0.0106 (6)	0.0063 (5)	−0.0005 (5)
O10	0.0603 (13)	0.0143 (8)	0.0287 (10)	0	−0.0237 (9)	0
N1	0.0311 (12)	0.0332 (12)	0.0324 (13)	0	−0.0018 (10)	0

Geometric parameters (Å, º)

P1—O1	1.5250 (11)	O4—O4^ii	2.5403 (16)
P1—O1^i	1.5250 (11)	O4—O5	2.6771 (15)
P1—O2	1.5261 (16)	O4—O6^viii	2.7306 (16)
P1—H1	1.31 (2)	O4—O6^ix	2.7279 (17)
P2—O3	1.5351 (17)	O5—O6	2.9843 (19)
P2—O4	1.5254 (12)	O5—O6^i	2.9843 (19)
P2—O4^ii	1.5254 (12)	O5—O7^vi	2.887 (3)
P2—H2	1.21 (3)	O5—O8	2.9778 (19)
Co1—O5	2.1297 (17)	O5—O8^i	2.9778 (19)
Co1—O6	2.0704 (13)	O5—H5	0.807 (16)
Co1—O6^i	2.0704 (13)	O5—H5^i	0.807 (16)
Co1—O7	2.1172 (19)	O6—O6^i	2.9891 (19)
Co1—O8	2.1132 (12)	O6—O8^i	2.8470 (16)
Co1—O8^i	2.1132 (12)	O6—H61	0.813 (13)
Co2—O9	2.0888 (13)	O6—H62	0.805 (12)
Co2—O9^iii	2.0888 (13)	O7—O8	2.958 (2)
Co2—O9^iv	2.0888 (13)	O7—O8^i	2.958 (2)
Co2—O9^ii	2.0888 (13)	O7—H71	0.81 (3)
Co2—O10	2.072 (2)	O7—H72	0.816 (14)
Co2—O10^iii	2.072 (2)	O8—H81	0.814 (18)
O1—O1^i	2.5326 (15)	O8—H82	0.820 (15)
O1—O2	2.5356 (17)	O9—O9^iv	2.9794 (19)
O1—O8	2.6890 (16)	O9—O9^ii	2.9285 (18)
O1—O9^v	2.7319 (16)	O9—O10^iii	2.848 (2)
O1—O10	2.6624 (15)	O9—H91	0.817 (17)
O2—O7^vi	2.682 (3)	O9—H92	0.804 (12)
O2—O9^vii	2.7102 (16)	O10—H100	0.810 (17)
O2—O9^iv	2.7102 (16)	O10—H100^ii	0.810 (17)
O3—O4	2.5334 (18)	N1—H110	0.87 (2)
O3—O4^ii	2.5334 (18)	N1—H112	0.866 (17)
O3—O8	2.7249 (17)	N1—H112^ii	0.866 (17)
O3—O8^ii	2.7249 (17)	N1—H113	0.87 (2)
O3—N1	2.813 (3)
O1—P1—O1^i	112.27 (7)	O6^i—O5—O6	60.11 (5)
O1—P1—O2	112.41 (5)	O6^i—O5—O7^vi	141.30 (5)
O1—P1—H1	106.3 (5)	O6^i—O5—O8	57.05 (4)
O1—P1—H1^x	77.8 (3)	O6^i—O5—O8^i	89.11 (6)
O1^i—P1—O1	112.27 (7)	O6^i—O5—H5	125.4 (13)
O1^i—P1—O2	112.41 (5)	O6^i—O5—H5^i	76.9 (13)
O1^i—P1—H1	106.3 (5)	O7^vi—O5—O8	87.22 (6)
O1^i—P1—H1^x	77.8 (3)	O7^vi—O5—O8^i	87.22 (6)
O2—P1—H1	106.7 (11)	O7^vi—O5—H5	93.3 (13)
O2—P1—H1^x	159.0 (5)	O7^vi—O5—H5^i	93.3 (13)
O3—P2—O4	111.75 (6)	O8—O5—O8^i	63.69 (5)
O3—P2—O4^ii	111.75 (6)	O8—O5—H5	158.2 (12)
O3—P2—H2	105.2 (12)	O8—O5—H5^i	94.5 (12)
O4—P2—O4^ii	112.75 (7)	O8^i—O5—O8	63.69 (5)
O4—P2—H2	107.5 (6)	O8^i—O5—H5	94.5 (12)
O4^ii—P2—O4	112.75 (7)	O8^i—O5—H5^i	158.2 (12)
O4^ii—P2—H2	107.5 (6)	H5—O5—H5^i	107.2 (17)
O5—Co1—O6	90.55 (5)	Co1—O6—O4^xi	118.05 (6)
O5—Co1—O6^i	90.55 (5)	Co1—O6—O4^xii	124.65 (6)
O5—Co1—O7	176.84 (7)	Co1—O6—H61	118.9 (15)
O5—Co1—O8	89.15 (5)	Co1—O6—H62	119.1 (15)
O5—Co1—O8^i	89.15 (5)	O4^xi—O6—O4^xii	97.22 (5)
O6—Co1—O6^i	92.42 (5)	O4^xi—O6—O5	83.00 (5)
O6—Co1—O7	91.64 (5)	O4^xi—O6—O6^i	85.29 (5)
O6—Co1—O8	178.15 (5)	O4^xi—O6—O8^i	139.86 (6)
O6—Co1—O8^i	85.76 (5)	O4^xi—O6—H62	104.2 (16)
O6^i—Co1—O6	92.42 (5)	O4^xii—O6—O4^xi	97.22 (5)
O6^i—Co1—O7	91.64 (5)	O4^xii—O6—O5	166.00 (6)
O6^i—Co1—O8	85.76 (5)	O4^xii—O6—O6^i	106.07 (5)
O6^i—Co1—O8^i	178.15 (5)	O4^xii—O6—O8^i	121.90 (6)
O7—Co1—O8	88.74 (5)	O4^xii—O6—H61	100.0 (14)
O7—Co1—O8^i	88.74 (5)	O5—O6—O6^i	59.95 (4)
O8—Co1—O8^i	96.06 (5)	O5—O6—O8^i	61.36 (5)
O8^i—Co1—O8	96.06 (5)	O5—O6—H61	81.4 (14)
O9—Co2—O9^iii	180	O5—O6—H62	163.4 (15)
O9—Co2—O9^iv	90.99 (5)	O6^i—O6—O8^i	91.54 (5)
O9—Co2—O9^ii	89.01 (5)	O6^i—O6—H61	88.7 (16)
O9—Co2—O10	93.64 (5)	O6^i—O6—H62	105.2 (14)
O9—Co2—O10^iii	86.36 (5)	O8^i—O6—H61	136.1 (14)
O9^iii—Co2—O9	180	O8^i—O6—H62	115.2 (16)
O9^iii—Co2—O9^iv	89.01 (5)	H61—O6—H62	107 (2)
O9^iii—Co2—O9^ii	90.99 (5)	Co1—O7—O2^xiii	125.72 (8)
O9^iii—Co2—O10	86.36 (5)	Co1—O7—O5^xiii	117.52 (8)
O9^iii—Co2—O10^iii	93.64 (5)	Co1—O7—O8	45.57 (4)
O9^iv—Co2—O9	90.99 (5)	Co1—O7—O8^i	45.57 (4)
O9^iv—Co2—O9^iii	89.01 (5)	Co1—O7—H71	119 (2)
O9^iv—Co2—O9^ii	180	Co1—O7—H72	126 (3)
O9^iv—Co2—O10	86.36 (5)	O2^xiii—O7—O5^xiii	116.75 (8)
O9^iv—Co2—O10^iii	93.64 (5)	O2^xiii—O7—O8	91.21 (6)
O9^ii—Co2—O9	89.01 (5)	O2^xiii—O7—O8^i	91.21 (6)
O9^ii—Co2—O9^iii	90.99 (5)	O2^xiii—O7—H71	115 (2)
O9^ii—Co2—O9^iv	180	O5^xiii—O7—O8	138.32 (5)
O9^ii—Co2—O10	93.64 (5)	O5^xiii—O7—O8^i	138.32 (5)
O9^ii—Co2—O10^iii	86.36 (5)	O5^xiii—O7—H72	116 (3)
O10—Co2—O10^iii	180	O8—O7—O8^i	64.16 (5)
O10^iii—Co2—O10	180	O8—O7—H71	139.2 (13)
P1—O1—O8	120.62 (7)	O8—O7—H72	91 (2)
P1—O1—O9^v	129.48 (7)	O8^i—O7—O8	64.16 (5)
P1—O1—O10	114.00 (7)	O8^i—O7—H71	139.2 (13)
O1^i—O1—O2	60.04 (4)	O8^i—O7—H72	91 (2)
O1^i—O1—O8	96.51 (5)	H71—O7—H72	115 (3)
O1^i—O1—O9^v	106.79 (5)	Co1—O8—O1	125.46 (6)
O1^i—O1—O10	147.83 (6)	Co1—O8—O3	116.21 (6)
O2—O1—O8	108.95 (6)	Co1—O8—H81	112.0 (13)
O2—O1—O9^v	163.07 (6)	Co1—O8—H82	122.0 (14)
O2—O1—O10	92.31 (5)	O1—O8—O3	102.81 (6)
O8—O1—O9^v	81.92 (5)	O1—O8—O5	113.77 (6)
O8—O1—O10	108.77 (6)	O1—O8—O6^i	171.95 (6)
O9^v—O1—O10	96.42 (6)	O1—O8—O7	112.57 (6)
P1—O2—O7^vi	121.50 (9)	O1—O8—H81	104.3 (13)
P1—O2—O9^vii	112.71 (6)	O3—O8—O5	79.93 (4)
P1—O2—O9^iv	112.71 (6)	O3—O8—O6^i	83.21 (5)
O1—O2—O1^i	59.92 (5)	O3—O8—O7	144.02 (6)
O1—O2—O7^vi	103.05 (7)	O3—O8—H82	101.7 (14)
O1—O2—O9^vii	145.89 (7)	O5—O8—O6^i	61.59 (5)
O1—O2—O9^iv	94.04 (4)	O5—O8—O7	91.31 (5)
O1^i—O2—O1	59.92 (5)	O5—O8—H81	75.0 (12)
O1^i—O2—O7^vi	103.05 (7)	O5—O8—H82	107.8 (13)
O1^i—O2—O9^vii	94.04 (4)	O6^i—O8—O7	62.27 (5)
O1^i—O2—O9^iv	145.89 (7)	O6^i—O8—H81	81.2 (13)
O7^vi—O2—O9^vii	104.24 (6)	O6^i—O8—H82	167.7 (14)
O7^vi—O2—O9^iv	104.24 (6)	O7—O8—H81	143.0 (13)
O9^vii—O2—O9^iv	98.66 (6)	O7—O8—H82	114.2 (14)
O9^iv—O2—O9^vii	98.66 (6)	H81—O8—H82	102.7 (19)
P2—O3—O8	118.34 (6)	Co2—O9—O1^v	136.81 (6)
P2—O3—O8^ii	118.34 (6)	Co2—O9—O2^vii	121.28 (6)
P2—O3—N1	114.51 (10)	Co2—O9—H91	122.0 (14)
O4—O3—O4^ii	60.18 (5)	Co2—O9—H92	127.0 (15)
O4—O3—O8	99.33 (4)	O1^v—O9—O2^vii	101.00 (6)
O4—O3—O8^ii	151.55 (7)	O1^v—O9—O9^iv	137.59 (6)
O4—O3—N1	96.80 (7)	O1^v—O9—O9^ii	106.79 (5)
O4^ii—O3—O4	60.18 (5)	O1^v—O9—O10^iii	158.24 (7)
O4^ii—O3—O8	151.55 (7)	O1^v—O9—H91	99.6 (13)
O4^ii—O3—O8^ii	99.33 (4)	O2^vii—O9—O9^iv	89.00 (5)
O4^ii—O3—N1	96.80 (7)	O2^vii—O9—O9^ii	139.33 (6)
O8—O3—O8^ii	91.31 (6)	O2^vii—O9—O10^iii	84.82 (5)
O8—O3—N1	105.65 (6)	O2^vii—O9—H92	109.3 (15)
O8^ii—O3—O8	91.31 (6)	O9^iv—O9—O9^ii	90
O8^ii—O3—N1	105.65 (6)	O9^iv—O9—O10^iii	62.72 (6)
P2—O4—O5	113.74 (7)	O9^iv—O9—H91	87.8 (15)
P2—O4—O6^viii	119.68 (7)	O9^iv—O9—H92	128.8 (15)
P2—O4—O6^ix	127.60 (7)	O9^ii—O9—O9^iv	90
O3—O4—O4^ii	59.91 (4)	O9^ii—O9—O10^iii	59.06 (4)
O3—O4—O5	89.45 (5)	O9^ii—O9—H91	142.7 (13)
O3—O4—O6^viii	153.53 (6)	O9^ii—O9—H92	102.7 (15)
O3—O4—O6^ix	110.01 (6)	O10^iii—O9—H91	87.3 (13)
O4^ii—O4—O5	147.18 (6)	O10^iii—O9—H92	160.4 (15)
O4^ii—O4—O6^viii	94.71 (5)	H91—O9—H92	108 (2)
O4^ii—O4—O6^ix	106.07 (6)	Co2—O10—O1	121.63 (5)
O5—O4—O6^viii	113.13 (6)	Co2—O10—O1^ii	121.63 (5)
O5—O4—O6^ix	94.81 (6)	Co2—O10—H100	124.5 (14)
O6^viii—O4—O6^ix	82.78 (5)	Co2—O10—H100^ii	124.5 (14)
O6^ix—O4—O6^viii	82.78 (5)	O1—O10—O1^ii	115.65 (8)
Co1—O5—O4	120.68 (4)	O1—O10—O9^iii	147.18 (7)
Co1—O5—O4^i	120.68 (4)	O1—O10—O9^iv	88.28 (4)
Co1—O5—O7^vi	120.68 (8)	O1—O10—H100^ii	113.2 (13)
Co1—O5—H5	118.6 (13)	O1^ii—O10—O1	115.65 (8)
Co1—O5—H5^i	118.6 (13)	O1^ii—O10—O9^iii	88.28 (4)
O4—O5—O4^i	114.35 (7)	O1^ii—O10—O9^iv	147.18 (7)
O4—O5—O6	134.48 (7)	O1^ii—O10—H100	113.2 (13)
O4—O5—O6^i	81.89 (4)	O9^iii—O10—O9^iv	61.89 (5)
O4—O5—O7^vi	84.08 (5)	O9^iii—O10—H100	146.9 (14)
O4—O5—O8	90.17 (4)	O9^iii—O10—H100^ii	89.5 (13)
O4—O5—O8^i	152.83 (6)	O9^iv—O10—O9^iii	61.89 (5)
O4—O5—H5	111.6 (12)	O9^iv—O10—H100	89.5 (13)
O4^i—O5—O4	114.35 (7)	O9^iv—O10—H100^ii	146.9 (14)
O4^i—O5—O6	81.89 (4)	H100—O10—H100^ii	110.7 (19)
O4^i—O5—O6^i	134.48 (7)	O3—N1—H112	113.9 (13)
O4^i—O5—O7^vi	84.08 (5)	O3—N1—H112^ii	113.9 (13)
O4^i—O5—O8	152.83 (6)	O3—N1—H113	97 (2)
O4^i—O5—O8^i	90.17 (4)	H110—N1—H112	115.6 (16)
O4^i—O5—H5^i	111.6 (12)	H110—N1—H112^ii	115.6 (16)
O6—O5—O6^i	60.11 (5)	H110—N1—H113	94 (3)
O6—O5—O7^vi	141.30 (5)	H112—N1—H112^ii	98.7 (17)
O6—O5—O8	89.11 (6)	H112—N1—H113	117.4 (17)
O6—O5—O8^i	57.05 (4)	H112^ii—N1—H112	98.7 (17)
O6—O5—H5	76.9 (13)	H112^ii—N1—H113	117.4 (17)
O6—O5—H5^i	125.4 (13)

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

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O5—H5···O4^i	0.807 (15)	1.887 (15)	2.6771 (15)	165.70 (18)
O6—H61···O4^xi	0.813 (13)	1.923 (13)	2.7306 (16)	173 (2)
O6—H62···O4^xii	0.805 (12)	1.931 (12)	2.7279 (17)	170 (2)
O7—H71···O5^xiii	0.81 (3)	2.08 (3)	2.887 (2)	178 (3)
O7—H72···O2^xiii	0.816 (14)	1.866 (14)	2.682 (2)	180 (4)
O8—H81···O3	0.814 (18)	1.915 (17)	2.7249 (17)	173.0 (18)
O8—H82···O1	0.820 (15)	1.875 (14)	2.6890 (16)	171.4 (18)
O9—H91···O2^iv	0.817 (17)	1.895 (17)	2.7102 (16)	174.81 (19)
O9—H92···O1^v	0.804 (12)	1.949 (14)	2.7319 (16)	165 (2)
O10—H100···O1	0.810 (17)	1.854 (17)	2.6624 (15)	175 (2)
N1—H110···O3	0.87 (2)	1.95 (2)	2.813 (3)	176 (3)
N1—H112···O8^xiv	0.866 (17)	2.161 (17)	3.006 (2)	164.9 (16)
N1—H113···O10	0.87 (2)	2.32 (2)	3.182 (3)	173 (3)

Symmetry codes: (i) x, −y, z; (iv) −x, y, −z; (v) −x, y, −z+1; (xi) −x+1/2, y−1/2, −z+1; (xii) x, −y, z+1; (xiii) x, y, z+1; (xiv) x, −y+1, z−1.