A novel monoprotonated decavanadate, K4Na[HV10O28]·10H2O

Lee, U.; Joo, H.-C.

doi:10.1107/S1600536804000893

A novel monoprotonated decavanadate, K₄Na[HV₁₀O₂₈]·10H₂O

The novel monoprotonated decavanadate species [HV₁₀O₂₈]⁵⁻ has been prepared and characterized. The title compound, tetrapotassium sodium hydrogendecavanadate decahydrate, crystallizes in the monoclinic system in space group P2/n, with the polyanion having twofold crystallographic symmetry. The protonated O atom in the polyanion was identified from the elongation of the V—O bond and the shortest O

O inter-polyanion distance. The H atom is disordered around a twofold axis that relates two hydrogen-bonded polyanions.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804000893/br6134sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536804000893/br6134Isup2.hkl Contains datablock I

checkCIF report

Key indicators

Single-crystal X-ray study
T = 298 K
Mean (V-O) = 0.003 Å
H-atom completeness 1%
R factor = 0.046
wR factor = 0.128
Data-to-parameter ratio = 15.5

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT306_ALERT_2_A Isolated Oxygen Atom (H-atoms Missing ?) .......        OW1

Author Response: Explained in _publ_section_exptl_refinement

PLAT306_ALERT_2_A Isolated Oxygen Atom (H-atoms Missing ?) .......        OW2

Author Response: Explained in _publ_section_exptl_refinement

PLAT306_ALERT_2_A Isolated Oxygen Atom (H-atoms Missing ?) .......        OW3

Author Response: Explained in _publ_section_exptl_refinement

PLAT306_ALERT_2_A Isolated Oxygen Atom (H-atoms Missing ?) .......        OW4

Author Response: Explained in _publ_section_exptl_refinement

PLAT306_ALERT_2_A Isolated Oxygen Atom (H-atoms Missing ?) .......        OW5

Author Response: Explained in _publ_section_exptl_refinement

PLAT306_ALERT_2_A Isolated Oxygen Atom (H-atoms Missing ?) .......        OW6

Author Response: Explained in _publ_section_exptl_refinement


Alert level B
PLAT430_ALERT_2_B Short Inter D...A Contact  OC2    ..  OW6      =       2.74 Ang.

Author Response: Those are normal values in the polyoxometalates. (Strong hydrogen-bonding.)

PLAT430_ALERT_2_B Short Inter D...A Contact  OB7    ..  OW5      =       2.77 Ang.

Author Response: Those are normal values in the polyoxometalates. (Strong hydrogen-bonding.)

PLAT430_ALERT_2_B Short Inter D...A Contact  OB7    ..  OW5      =       2.80 Ang.

Author Response: Those are normal values in the polyoxometalates. (Strong hydrogen-bonding.)

PLAT430_ALERT_2_B Short Inter D...A Contact  OB8    ..  OW4      =       2.83 Ang.

Author Response: Those are normal values in the polyoxometalates. (Strong hydrogen-bonding.)

PLAT430_ALERT_2_B Short Inter D...A Contact  OW1    ..  OW6      =       2.84 Ang.

Author Response: Those are normal values in the polyoxometalates. (Strong hydrogen-bonding.)


Alert level C
CHEMW03_ALERT_2_C The ratio of given/expected molecular weight as
            calculated from the _atom_site* data lies outside
            the range 0.99 <> 1.01
           From the CIF: _cell_formula_units_Z                    2
           From the CIF: _chemical_formula_weight          1317.96
           TEST: Calculate formula weight from _atom_site_*
           atom     mass    num     sum
           V        50.94   10.00  509.42
           O        16.00   38.00  607.96
           H         1.01    0.00    0.00
           K        39.10    4.00  156.39
           Na       22.99    1.00   22.99
           Calculated formula weight             1296.76
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?

Author Response: Because H atoms of H2O were not included.

PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?

Author Response: Because H atoms of H2O were not included.

PLAT043_ALERT_1_C Check Reported Molecular Weight ................    1317.96

Author Response: Because H atoms of H2O were not included.

PLAT044_ALERT_1_C Calculated and Reported Dx Differ ..............          ?

Author Response: Because H atoms of H2O were not included.

PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...          ?

Author Response: Because H atoms of H2O were not included.

PLAT128_ALERT_4_C Non-standard setting of Space group P2/c    ....    P2/n
PLAT430_ALERT_2_C Short Inter D...A Contact  OB9    ..  OW1      =       2.85 Ang.

Author Response: Those are normal values in the polyoxometalates. (Strong hydrogen-bonding.)

PLAT430_ALERT_2_C Short Inter D...A Contact  OW1    ..  OW6      =       2.86 Ang.

Author Response: Those are normal values in the polyoxometalates. (Strong hydrogen-bonding.)

PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........         20

Author Response: Explained in the comment.


Alert level G
FORMU01_ALERT_2_G  There is a discrepancy between the atom counts in the
            _chemical_formula_sum and the formula from the _atom_site* data.
            Atom count from _chemical_formula_sum:H21 K4 Na1 O38 V10
            Atom count from the _atom_site data:  K4 Na1 O38 V10
CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected.
CELLZ01_ALERT_1_G WARNING: H atoms missing from atom site list. Is this intentional?
           From the CIF: _cell_formula_units_Z    2
           From the CIF: _chemical_formula_sum  H21 K4 Na O38 V10
           TEST: Compare cell contents of formula and atom_site data

           atom    Z*formula  cif sites diff
           H         42.00      0.00   42.00
           K          8.00      8.00    0.00
           Na         2.00      2.00    0.00
           O         76.00     76.00    0.00
           V         20.00     20.00    0.00

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

   7 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  15 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

Computing details top

Data collection: STADI4 (Stoe, 1996); cell refinement: STADI4; data reduction: X-RED (Stoe, 1996); program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPIII (Farrugia, 1997) and DIAMOND (Brandenburg, 1998); software used to prepare material for publication: SHELXL97.

tetrapotassium sodium hydrogendecavanadate decahydrate top

Crystal data top

K₄Na[HV₁₀O₂₈]·10H2O	F(000) = 1284
M_r = 1317.96	D_x = 2.684 Mg m⁻³
Monoclinic, P2/n	Mo Kα radiation, λ = 0.71069 Å
Hall symbol: -P 2yac	Cell parameters from 25 reflections
a = 10.804 (2) Å	θ = 9.5–10.4°
b = 11.034 (2) Å	µ = 3.38 mm⁻¹
c = 13.748 (3) Å	T = 298 K
β = 95.78 (2)°	Tetragonal plate, pale brown
V = 1630.6 (6) Å³	0.58 × 0.48 × 0.07 mm
Z = 2

Data collection top

Stoe STADI4 diffractometer	2768 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	R_int = 0.000
Graphite monochromator	θ_max = 27.5°, θ_min = 1.9°
ω/2θ scans	h = −14→13
Absorption correction: numerical (X-SHAPE; Stoe & Cie, 1996)	k = 0→14
T_min = 0.162, T_max = 0.772	l = 0→17
3731 measured reflections	3 standard reflections every 60 min
3731 independent reflections	intensity decay: 3.6%

Refinement top

Refinement on F²	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F² > 2σ(F²)] = 0.046	H-atom parameters not refined
wR(F²) = 0.128	w = 1/[σ²(F_o²) + (0.0524P)² + 4.4779P] where P = (F_o² + 2F_c²)/3
S = 1.15	(Δ/σ)_max = 0.001
3731 reflections	Δρ_max = 0.83 e Å⁻³
241 parameters	Δρ_min = −0.76 e Å⁻³
0 restraints

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

	x	y	z	U_iso*/U_eq
V1	0.59825 (7)	0.72243 (7)	0.73747 (5)	0.01308 (17)
V2	0.89274 (7)	0.72146 (8)	0.53687 (6)	0.01764 (19)
V3	0.60767 (7)	0.72429 (9)	0.51615 (6)	0.01894 (19)
V4	0.75513 (7)	0.51673 (7)	0.63997 (6)	0.01633 (19)
V5	0.75031 (7)	0.92626 (7)	0.63897 (6)	0.01554 (19)
K1	0.26547 (11)	0.77905 (13)	0.53613 (9)	0.0323 (3)
K2	0.46048 (15)	0.79143 (15)	0.23514 (10)	0.0459 (4)
Na	0.7500	1.0061 (3)	0.2500	0.0250 (6)
Oh1	0.7479 (3)	0.7210 (3)	0.6528 (2)	0.0143 (6)
Oc2	0.6351 (3)	0.5505 (3)	0.7404 (2)	0.0143 (6)
Oc3	0.6351 (3)	0.8935 (3)	0.7408 (2)	0.0150 (6)
Ob4	0.5062 (3)	0.7218 (3)	0.8299 (2)	0.0184 (7)
Ob5	0.7497 (3)	0.7216 (3)	0.4538 (2)	0.0184 (7)
Ob6	0.5030 (3)	0.7225 (3)	0.6326 (2)	0.0181 (7)
Ob7	0.8745 (3)	0.8876 (3)	0.5635 (2)	0.0183 (7)
Ob8	0.6264 (3)	0.8895 (3)	0.5446 (2)	0.0192 (7)
Ob9	0.8730 (3)	0.5555 (3)	0.5628 (2)	0.0185 (7)
Ob10	0.6226 (3)	0.5539 (3)	0.5421 (2)	0.0195 (7)
Ot11	1.0021 (3)	0.7255 (4)	0.4659 (3)	0.0273 (8)
Ot12	0.4949 (3)	0.7267 (4)	0.4309 (2)	0.0267 (8)
Ot13	0.7529 (3)	1.0723 (3)	0.6388 (3)	0.0236 (8)
Ot14	0.7561 (3)	0.3710 (3)	0.6408 (3)	0.0238 (8)
OW1	0.2145 (4)	0.5539 (4)	0.6186 (3)	0.0388 (10)
OW2	0.2500	0.7773 (5)	0.7500	0.0292 (12)
OW3	0.7500	0.7933 (6)	0.2500	0.0456 (16)
OW4	0.5906 (4)	0.9997 (4)	0.3582 (3)	0.0423 (11)
OW5	0.8910 (4)	1.0145 (5)	0.3893 (3)	0.0517 (14)
OW6	0.5891 (4)	0.5658 (4)	0.2630 (3)	0.0411 (11)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
V1	0.0096 (3)	0.0130 (4)	0.0164 (4)	0.0000 (3)	0.0002 (3)	0.0012 (3)
V2	0.0165 (4)	0.0193 (4)	0.0175 (4)	−0.0021 (3)	0.0035 (3)	−0.0007 (3)
V3	0.0149 (4)	0.0245 (5)	0.0166 (4)	−0.0032 (4)	−0.0020 (3)	−0.0007 (4)
V4	0.0184 (4)	0.0120 (4)	0.0186 (4)	−0.0012 (3)	0.0020 (3)	−0.0029 (3)
V5	0.0171 (4)	0.0120 (4)	0.0174 (4)	−0.0006 (3)	0.0011 (3)	0.0019 (3)
K1	0.0300 (6)	0.0365 (7)	0.0292 (6)	0.0023 (6)	−0.0028 (5)	0.0015 (6)
K2	0.0525 (9)	0.0518 (10)	0.0306 (7)	0.0112 (7)	−0.0096 (6)	0.0008 (6)
Na	0.0230 (14)	0.0242 (16)	0.0271 (14)	0.000	−0.0006 (12)	0.000
Oh1	0.0154 (15)	0.0111 (15)	0.0161 (14)	0.0003 (13)	0.0004 (12)	0.0020 (13)
Oc2	0.0141 (15)	0.0127 (16)	0.0160 (15)	−0.0006 (13)	0.0009 (12)	0.0009 (12)
Oc3	0.0150 (15)	0.0130 (16)	0.0168 (15)	0.0009 (13)	0.0004 (12)	0.0012 (13)
Ob4	0.0144 (15)	0.0199 (17)	0.0209 (16)	−0.0013 (14)	0.0019 (12)	−0.0025 (14)
Ob5	0.0196 (16)	0.0202 (17)	0.0154 (14)	−0.0036 (15)	0.0019 (12)	−0.0008 (14)
Ob6	0.0146 (15)	0.0200 (17)	0.0190 (15)	0.0016 (14)	−0.0012 (12)	0.0033 (14)
Ob7	0.0177 (16)	0.0173 (17)	0.0198 (16)	−0.0048 (14)	0.0024 (13)	0.0022 (14)
Ob8	0.0172 (16)	0.0184 (18)	0.0216 (17)	−0.0011 (14)	−0.0005 (13)	0.0026 (14)
Ob9	0.0197 (16)	0.0176 (17)	0.0186 (16)	−0.0005 (14)	0.0033 (13)	−0.0045 (13)
Ob10	0.0225 (17)	0.0173 (17)	0.0182 (16)	−0.0025 (14)	−0.0008 (13)	−0.0005 (14)
Ot11	0.0246 (18)	0.033 (2)	0.0256 (18)	−0.0001 (17)	0.0097 (15)	0.0018 (17)
Ot12	0.0190 (17)	0.039 (2)	0.0212 (17)	−0.0020 (17)	−0.0044 (14)	0.0018 (17)
Ot13	0.0284 (19)	0.0146 (17)	0.0275 (19)	−0.0025 (15)	0.0011 (15)	0.0039 (15)
Ot14	0.0269 (19)	0.0147 (18)	0.0290 (19)	−0.0001 (15)	−0.0015 (15)	−0.0051 (15)
OW1	0.049 (3)	0.034 (2)	0.033 (2)	−0.003 (2)	0.0058 (19)	−0.0063 (18)
OW2	0.031 (3)	0.028 (3)	0.029 (3)	0.000	0.001 (2)	0.000
OW3	0.072 (5)	0.027 (3)	0.039 (3)	0.000	0.012 (3)	0.000
OW4	0.034 (2)	0.047 (3)	0.048 (3)	0.017 (2)	0.017 (2)	0.019 (2)
OW5	0.042 (3)	0.068 (4)	0.040 (2)	−0.031 (2)	−0.019 (2)	0.026 (2)
OW6	0.030 (2)	0.038 (3)	0.055 (3)	−0.0114 (19)	0.006 (2)	−0.008 (2)

Geometric parameters (Å, º) top

V1—V2ⁱ	3.094 (1)	V5—Ob8	1.814 (3)
V1—V3	3.055 (1)	V5—Ot13	1.612 (4)
V1—V4ⁱ	3.156 (1)	K1—Ob6	2.838 (3)
V1—V5	3.169 (1)	K1—Ot11ⁱⁱ	2.970 (4)
V1—V5ⁱ	3.172 (1)	K1—Ot12	3.048 (4)
V1—V4	3.206 (1)	K1—Ot13ⁱⁱⁱ	2.901 (4)
V2—V3	3.065 (1)	K1—Ot14^iv	2.932 (4)
V2—V4	3.122 (1)	K1—OW1	2.808 (5)
V2—V5	3.143 (1)	K1—OW2	2.9619 (14)
V3—V4	3.184 (1)	K1—OW4ⁱⁱⁱ	3.167 (5)
V3—V5	3.110 (1)	K1—OW5ⁱⁱⁱ	3.073 (6)
V4—V4ⁱ	3.039 (2)	K2—Ot11^v	2.925 (4)
V5—V5ⁱ	3.054 (2)	K2—Ot12	2.773 (4)
V1—Oh1	2.085 (3)	K2—Ot13ⁱⁱⁱ	3.374 (4)
V1—Oh1ⁱ	2.129 (3)	K2—Ot13^vi	2.906 (4)
V1—Oc2	1.939 (3)	K2—Ot14^vii	3.032 (4)
V1—Oc3	1.929 (3)	K2—OW3	3.1141 (17)
V1—Ob4	1.691 (3)	K2—OW4	3.105 (5)
V1—Ob6	1.684 (3)	K2—OW6	2.858 (5)
V2—Oh1	2.343 (3)	Na—OW2ⁱⁱⁱ	2.390 (6)
V2—Ob4ⁱ	2.036 (3)	Na—OW3	2.348 (7)
V2—Ob5	1.827 (3)	Na—OW4^v	2.387 (4)
V2—Ob7	1.884 (4)	Na—OW4	2.387 (4)
V2—Ob9	1.881 (4)	Na—OW5^v	2.325 (4)
V2—Ot11	1.607 (3)	Na—OW5	2.325 (4)
V3—Oh1	2.292 (3)	OW1—OW6^viii	2.839 (6)
V3—Ob5	1.832 (3)	OW1—Ob9^iv	2.845 (5)
V3—Ob6	2.051 (3)	OW1—OW6^iv	2.864 (7)
V3—Ob8	1.871 (4)	OW2—Ob4^ix	2.938 (3)
V3—Ob10	1.917 (4)	OW2—OW1^ix	3.057 (6)
V3—Ot12	1.603 (3)	OW3—Ob5	2.911 (4)
V4—Oh1	2.263 (3)	OW3—Ob5^v	2.911 (4)
V4—Oc2	2.021 (3)	OW3—OW6	3.069 (7)
V4—Oc2ⁱ	1.964 (3)	OW3—OW6^v	3.069 (7)
V4—Ob9	1.790 (3)	OW4—Oc3ⁱⁱⁱ	2.919 (5)
V4—Ob10	1.908 (3)	OW4—Ob8	2.827 (5)
V4—Ot14	1.608 (4)	OW4—Ob8ⁱⁱⁱ	3.068 (5)
V5—Oh1	2.273 (3)	OW5—Ob7	2.796 (5)
V5—Oc3	1.997 (3)	OW5—Ob7^x	2.771 (5)
V5—Oc3ⁱ	1.996 (3)	OW6—Oc2^iv	2.738 (5)
V5—Ob7	1.827 (3)	Ob10—Ob10^iv	3.025 (7)

V3—V1—V2ⁱ	176.30 (3)	Ot11—V2—Ob7	100.9 (2)
V3—V1—V4ⁱ	118.12 (3)	Ob5—V2—Ob7	91.3 (2)
V2ⁱ—V1—V4ⁱ	59.92 (3)	Ob9—V2—Ob7	153.4 (1)
V3—V1—V5	59.92 (3)	Ot11—V2—Ob4ⁱ	100.7 (2)
V2ⁱ—V1—V5	117.75 (3)	Ob5—V2—Ob4ⁱ	155.0 (1)
V4ⁱ—V1—V5	118.99 (3)	Ob9—V2—Ob4ⁱ	83.8 (2)
V3—V1—V5ⁱ	117.49 (3)	Ob7—V2—Ob4ⁱ	83.1 (1)
V2ⁱ—V1—V5ⁱ	60.20 (3)	Ot11—V2—Oh1	174.4 (2)
V4ⁱ—V1—V5ⁱ	91.14 (3)	Ob5—V2—Oh1	81.1 (1)
V5—V1—V5ⁱ	57.58 (3)	Ob9—V2—Oh1	76.9 (1)
V3—V1—V4	61.07 (3)	Ob7—V2—Oh1	77.3 (1)
V2ⁱ—V1—V4	116.88 (3)	Ob4ⁱ—V2—Oh1	73.9 (1)
V4ⁱ—V1—V4	57.05 (3)	Ot12—V3—Ob5	105.6 (2)
V5—V1—V4	90.29 (3)	Ot12—V3—Ob8	101.3 (2)
V5ⁱ—V1—V4	117.39 (3)	Ob5—V3—Ob8	92.0 (2)
V3—V2—V1ⁱ	91.32 (3)	Ot12—V3—Ob10	101.3 (2)
V3—V2—V4	61.93 (3)	Ob5—V3—Ob10	90.7 (2)
V1ⁱ—V2—V4	61.03 (3)	Ob8—V3—Ob10	155.7 (1)
V3—V2—V5	60.10 (3)	Ot12—V3—Ob6	97.6 (2)
V1ⁱ—V2—V5	61.13 (3)	Ob5—V3—Ob6	156.7 (1)
V4—V2—V5	92.32 (3)	Ob8—V3—Ob6	84.4 (1)
V1—V3—V2	92.37 (3)	Ob10—V3—Ob6	83.6 (1)
V1—V3—V5	61.86 (3)	Ot12—V3—Oh1	172.0 (2)
V2—V3—V5	61.20 (3)	Ob5—V3—Oh1	82.4 (1)
V1—V3—V4	61.81 (3)	Ob8—V3—Oh1	78.2 (1)
V2—V3—V4	59.92 (3)	Ob10—V3—Oh1	78.2 (1)
V5—V3—V4	91.79 (3)	Ob6—V3—Oh1	74.4 (1)
V4ⁱ—V4—V2	121.26 (3)	Ot14—V4—Ob9	103.8 (2)
V4ⁱ—V4—V3	117.77 (3)	Ot14—V4—Ob10	103.0 (2)
V2—V4—V3	58.15 (3)	Ob9—V4—Ob10	93.4 (2)
V4ⁱ—V4—V1	60.65 (3)	Ot14—V4—Oc2ⁱ	100.4 (2)
V2—V4—V1	88.48 (3)	Ob9—V4—Oc2ⁱ	92.6 (1)
V3—V4—V1	57.12 (3)	Ob10—V4—Oc2ⁱ	153.7 (2)
V5ⁱ—V5—V3	119.48 (3)	Ot14—V4—Oc2	100.6 (2)
V5ⁱ—V5—V2	119.80 (3)	Ob9—V4—Oc2	154.8 (2)
V3—V5—V2	58.69 (3)	Ob10—V4—Oc2	87.4 (1)
V5ⁱ—V5—V1	61.27 (3)	Oc2ⁱ—V4—Oc2	76.6 (1)
V3—V5—V1	58.22 (3)	Ot14—V4—Oh1	174.7 (2)
V2—V5—V1	88.78 (3)	Ob9—V4—Oh1	80.8 (1)
Ob6—V1—Ob4	106.8 (2)	Ob10—V4—Oh1	79.1 (1)
Ob6—V1—Oc3	97.3 (2)	Oc2ⁱ—V4—Oh1	76.6 (1)
Ob4—V1—Oc3	97.0 (2)	Oc2—V4—Oh1	74.6 (1)
Ob6—V1—Oc2	97.2 (2)	Ot13—V5—Ob8	103.5 (2)
Ob4—V1—Oc2	96.6 (2)	Ot13—V5—Ob7	102.7 (2)
Oc3—V1—Oc2	156.3 (1)	Ob8—V5—Ob7	94.2 (2)
Ob6—V1—Oh1	87.9 (1)	Ot13—V5—Oc3ⁱ	100.0 (2)
Ob4—V1—Oh1	165.3 (1)	Ob8—V5—Oc3ⁱ	154.6 (2)
Oc3—V1—Oh1	81.4 (1)	Ob7—V5—Oc3ⁱ	89.9 (1)
Oc2—V1—Oh1	80.5 (1)	Ot13—V5—Oc3	101.2 (2)
Ob6—V1—Oh1ⁱ	166.5 (1)	Ob8—V5—Oc3	89.7 (1)
Ob4—V1—Oh1ⁱ	86.8 (1)	Ob7—V5—Oc3	154.2 (2)
Oc3—V1—Oh1ⁱ	81.1 (1)	Oc3ⁱ—V5—Oc3	76.4 (1)
Oc2—V1—Oh1ⁱ	80.4 (1)	Ot13—V5—Oh1	175.3 (2)
OH1—V1—Oh1ⁱ	78.6 (1)	Ob8—V5—Oh1	79.8 (1)
Ot11—V2—Ob5	104.4 (2)	Ob7—V5—Oh1	80.2 (1)
Ot11—V2—Ob9	104.3 (2)	Oc3ⁱ—V5—Oh1	76.2 (1)
Ob5—V2—Ob9	90.8 (2)	Oc3—V5—Oh1	75.4 (1)

Symmetry codes: (i) −x+3/2, y, −z+3/2; (ii) x−1, y, z; (iii) −x+1, −y+2, −z+1; (iv) −x+1, −y+1, −z+1; (v) −x+3/2, y, −z+1/2; (vi) x−1/2, −y+2, z−1/2; (vii) x−1/2, −y+1, z−1/2; (viii) x−1/2, −y+1, z+1/2; (ix) −x+1/2, y, −z+3/2; (x) −x+2, −y+2, −z+1.

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