On the number of uncoordinated water mol­ecules in the open-framework coordination compound, bis(1,2,4,5-benzene­tetra­carboxyl­ato)­di­hydroxy­tetra­aqua­pentacobalt(II) x-hydrate, and the crystal structure of the isomorphous decahydrated zinc(II) analog

Yang, S.-Y.; Long, L.-S.; Huang, R.-B.; Zheng, L.-S.; Ng, S.W.

doi:10.1107/S1600536803019895

On the number of uncoordinated water molecules in the open-framework coordination compound, bis(1,2,4,5-benzenetetracarboxylato)dihydroxytetraaquapentacobalt(II) x-hydrate, and the crystal structure of the isomorphous decahydrated zinc(II) analog

S.-Y. Yang, L.-S. Long, R.-B. Huang, L.-S. Zheng and S. W. Ng

The formula unit of bis(1,2,4,5-benzenetetracarboxylato)dihydroxytetraaquapentazinc(II) decahydrate includes 10 uncoordinated water molecules; the compound is isomorphous with the reported [Co₅(C₁₀H₂O₈)₂(OH)₂(H₂O)₄]·xH₂O analog [Gutschke, Price, Powell & Wood (2001). Eur. J. Inorg. Chem. pp. 2739-2741], for which x is most probably 10. The asymmetric unit is one-half of the formula unit, with one Zn atom lying on an inversion center.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803019895/bt6349sup1.cif Contains datablocks I, sad
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536803019895/bt6349Isup2.hkl Contains datablock I

CCDC reference: 225678

checkCIF report

Key indicators

Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.009 Å
R factor = 0.062
wR factor = 0.129
Data-to-parameter ratio = 12.0

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT220_ALERT_2_B Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       4.17 Ratio
PLAT417_ALERT_2_B Short Inter D-H..H-D       H3W2   ..  H6W1     =       2.07 Ang.
PLAT420_ALERT_2_B D-H Without Acceptor       O2W    -   H2W2   ...          ?
PLAT420_ALERT_2_B D-H Without Acceptor       O5W    -   H5W1   ...          ?
PLAT420_ALERT_2_B D-H Without Acceptor       O6W    -   H6W1   ...          ?

Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....         O7
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        Zn3
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          9
PLAT417_ALERT_2_C Short Inter D-H..H-D       H4W2   ..  H6W2     =       2.14 Ang.
PLAT417_ALERT_2_C Short Inter D-H..H-D       H6W1   ..  H7W1     =       2.13 Ang.
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........         14
PLAT722_ALERT_1_C Angle   Calc      104.87, Rep      106.00, Dev.        1.13 Deg.
              H6W1 -O6W  -H6W2    1.555   1.555   1.555

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:   C20 H34 O32 Zn5
            Atom count from _chemical_formula_moiety:

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

   3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   9 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 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: SMART (Bruker, 2001); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT (Bruker, 2001); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97 (Sheldrick, 1997).

Bis(1,2,4,5-benzenetetracarboxylato)dihydroxytetraaquapentazinc(II) decahydrate top

Crystal data top

[Zn₅(OH)₂(C₁₀H₂O₈)₂(H₂O)₄]_.10(H₂O)	F(000) = 1120
M_r = 1113.32	D_x = 2.099 Mg m⁻³
Monoclinic, P2₁/n	Mo Kα radiation, λ = 0.71073 Å
a = 7.4087 (3) Å	Cell parameters from 9591 reflections
b = 16.4236 (6) Å	θ = 2.5–28.3°
c = 14.5347 (5) Å	µ = 3.47 mm⁻¹
β = 94.993 (1)°	T = 298 K
V = 1761.8 (1) Å³	Parallelepiped, colorless
Z = 2	0.20 × 0.14 × 0.10 mm

Data collection top

Bruker APEX CCD area-detector diffractometer	3105 independent reflections
Radiation source: fine-focus sealed tube	3079 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.048
φ and ω scan	θ_max = 25.0°, θ_min = 1.9°
Absorption correction: multi-scan SADABS (Sheldrick, 1996)	h = −8→8
T_min = 0.585, T_max = 0.708	k = −19→19
16789 measured reflections	l = −17→17

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)] = 0.062	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.129	H atoms treated by a mixture of independent and constrained refinement
S = 1.27	w = 1/[σ²(F_o²) + (0.0317P)² + 13.7636P] where P = (F_o² + 2F_c²)/3
3105 reflections	(Δ/σ)_max = 0.001
259 parameters	Δρ_max = 0.69 e Å⁻³
30 restraints	Δρ_min = −0.73 e Å⁻³

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
Zn1	0.5000	0.5000	0.5000	0.0151 (2)
Zn2	0.2216 (1)	0.48192 (5)	0.68087 (5)	0.0212 (2)
Zn3	0.8087 (1)	0.62723 (5)	0.52090 (5)	0.0206 (2)
O1	0.5300 (7)	0.8410 (3)	0.9574 (3)	0.032 (1)
O2	0.4826 (7)	0.8947 (3)	0.8167 (3)	0.029 (1)
O3	1.1222 (6)	0.8138 (3)	0.9397 (4)	0.037 (1)
O4	0.8962 (6)	0.9041 (3)	0.9191 (3)	0.025 (1)
O5	0.9763 (6)	0.5870 (3)	0.6284 (3)	0.027 (1)
O6	1.0728 (6)	0.5496 (3)	0.7671 (3)	0.023 (1)
O7	0.4217 (7)	0.5705 (4)	0.7169 (4)	0.040 (1)
O8	0.5986 (6)	0.5843 (3)	0.6027 (3)	0.022 (1)
O9	0.2460 (6)	0.4826 (3)	0.5465 (3)	0.018 (1)
O1w	0.842 (1)	0.7587 (5)	0.5717 (5)	0.073 (2)
O2w	0.3799 (8)	0.4070 (3)	0.7644 (4)	0.044 (1)
O3w	0.753 (1)	0.9253 (5)	0.6824 (5)	0.076 (2)
O4w	0.142 (2)	0.0994 (7)	0.5710 (7)	0.119 (4)
O5w	0.219 (2)	0.7697 (8)	0.631 (1)	0.144 (4)
O6w	0.775 (2)	0.0433 (9)	0.543 (1)	0.159 (5)
O7w	0.491 (2)	0.841 (1)	0.549 (1)	0.192 (6)
C1	0.6693 (8)	0.7803 (4)	0.8356 (4)	0.017 (1)
C2	0.8569 (9)	0.7747 (4)	0.8524 (4)	0.019 (1)
C3	0.9465 (8)	0.7105 (4)	0.8128 (4)	0.020 (1)
C4	0.8561 (8)	0.6545 (4)	0.7552 (4)	0.016 (1)
C5	0.6673 (8)	0.6597 (4)	0.7401 (4)	0.017 (1)
C6	0.5770 (8)	0.7216 (4)	0.7805 (4)	0.019 (1)
C7	0.5541 (8)	0.8457 (4)	0.8741 (5)	0.021 (1)
C8	0.9656 (9)	0.8363 (4)	0.9080 (4)	0.021 (1)
C9	0.9719 (8)	0.5921 (4)	0.7137 (4)	0.019 (1)
C10	0.5544 (9)	0.5993 (4)	0.6810 (4)	0.020 (1)
H9	0.1638	0.5240	0.5180	0.021*
H1w1	0.7807	0.7975	0.5446	0.050*
H1w2	0.9281	0.7789	0.6069	0.050*
H2w1	0.3648	0.3578	0.7809	0.050*
H2w2	0.3587	0.4387	0.8082	0.050*
H3w1	0.6984	0.9477	0.7250	0.050*
H3w2	0.7742	0.9611	0.6421	0.050*
H4w1	0.2347	0.0756	0.5528	0.050*
H4w2	0.0574	0.0636	0.5744	0.050*
H5w1	0.2518	0.7269	0.6015	0.050*
H5w2	0.2106	0.8089	0.5898	0.050*
H6w1	0.6645	0.0254	0.5282	0.050*
H6w2	0.7988	0.0748	0.4971	0.050*
H7w1	0.5163	0.8767	0.5065	0.050*
H7w2	0.5243	0.8649	0.6015	0.050*
H3	1.0712	0.7054	0.8258	0.024*
H6	0.4514	0.7244	0.7708	0.023*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Zn1	0.0154 (5)	0.0132 (5)	0.0166 (5)	−0.0022 (4)	0.0015 (4)	0.0011 (4)
Zn2	0.0205 (4)	0.0209 (4)	0.0233 (4)	−0.0041 (3)	0.0079 (3)	−0.0062 (3)
Zn3	0.0150 (4)	0.0271 (4)	0.0196 (4)	−0.0015 (3)	0.0002 (3)	0.0045 (3)
O1	0.028 (3)	0.044 (3)	0.024 (3)	0.019 (2)	0.009 (2)	−0.003 (2)
O2	0.031 (3)	0.026 (3)	0.032 (3)	0.011 (2)	0.007 (2)	0.001 (2)
O3	0.016 (3)	0.028 (3)	0.063 (4)	0.006 (2)	−0.015 (2)	−0.024 (3)
O4	0.022 (2)	0.018 (2)	0.034 (3)	0.000 (2)	0.000 (2)	−0.013 (2)
O5	0.027 (3)	0.037 (3)	0.017 (2)	0.016 (2)	−0.003 (2)	−0.005 (2)
O6	0.022 (2)	0.023 (2)	0.024 (2)	0.007 (2)	0.001 (2)	−0.002 (2)
O7	0.034 (3)	0.053 (4)	0.033 (3)	−0.028 (3)	0.015 (2)	−0.020 (3)
O8	0.020 (2)	0.028 (3)	0.017 (2)	−0.014 (2)	0.004 (2)	−0.008 (2)
O9	0.014 (2)	0.020 (2)	0.019 (2)	0.001 (2)	0.004 (2)	0.000 (2)
O1w	0.081 (5)	0.068 (5)	0.065 (5)	0.010 (4)	−0.014 (4)	−0.007 (4)
O2w	0.041 (3)	0.038 (3)	0.053 (4)	0.004 (3)	−0.001 (3)	0.009 (3)
O3w	0.066 (4)	0.098 (5)	0.067 (4)	0.013 (4)	0.023 (4)	0.016 (4)
O4w	0.130 (7)	0.123 (7)	0.105 (6)	0.000 (6)	0.006 (6)	−0.001 (6)
O5w	0.129 (7)	0.139 (8)	0.160 (8)	0.007 (7)	−0.002 (7)	−0.009 (7)
O6w	0.175 (9)	0.158 (9)	0.147 (8)	−0.007 (7)	0.028 (7)	0.018 (7)
O7w	0.21 (1)	0.19 (1)	0.179 (9)	0.001 (8)	0.015 (8)	−0.009 (8)
C1	0.016 (3)	0.019 (3)	0.015 (3)	0.000 (3)	0.001 (2)	−0.001 (3)
C2	0.020 (3)	0.017 (3)	0.020 (3)	0.001 (3)	0.002 (3)	−0.007 (3)
C3	0.010 (3)	0.021 (3)	0.029 (4)	0.001 (3)	0.000 (3)	−0.006 (3)
C4	0.018 (3)	0.014 (3)	0.015 (3)	−0.001 (2)	0.005 (2)	0.000 (2)
C5	0.021 (3)	0.014 (3)	0.017 (3)	−0.003 (3)	0.004 (2)	−0.003 (2)
C6	0.005 (3)	0.027 (4)	0.026 (3)	0.003 (3)	0.001 (2)	−0.003 (3)
C7	0.012 (3)	0.023 (3)	0.027 (4)	−0.003 (3)	0.003 (3)	−0.005 (3)
C8	0.020 (3)	0.023 (4)	0.022 (3)	−0.005 (3)	0.009 (3)	−0.006 (3)
C9	0.012 (3)	0.018 (3)	0.025 (3)	−0.006 (2)	−0.001 (3)	−0.007 (3)
C10	0.022 (3)	0.014 (3)	0.023 (3)	0.007 (3)	0.001 (3)	−0.005 (3)

Geometric parameters (Å, º) top

Zn1—O4ⁱ	2.072 (4)	C1—C6	1.394 (9)
Zn1—O4ⁱⁱ	2.072 (4)	C1—C7	1.509 (9)
Zn1—O9	2.074 (4)	C2—C3	1.396 (9)
Zn1—O9ⁱⁱⁱ	2.074 (4)	C2—C8	1.487 (9)
Zn1—O8	2.119 (4)	C3—C4	1.378 (9)
Zn1—O8ⁱⁱⁱ	2.119 (4)	C4—C5	1.400 (9)
Zn2—O2^iv	2.086 (5)	C4—C9	1.496 (9)
Zn2—O5^v	2.573 (5)	C5—C6	1.376 (9)
Zn2—O6^v	2.064 (4)	C5—C10	1.516 (9)
Zn2—O7	2.111 (5)	O9—H9	0.98
Zn2—O9	1.977 (4)	O1w—H1w1	0.86
Zn2—O2w	2.029 (6)	O1w—H1w2	0.85
Zn3—O1^vi	2.019 (5)	O2w—H2w1	0.85
Zn3—O3ⁱⁱ	1.990 (5)	O2w—H2w2	0.85
Zn3—O5	2.021 (5)	O3w—H3w1	0.85
Zn3—O8	2.158 (4)	O3w—H3w2	0.86
Zn3—O9ⁱⁱⁱ	2.076 (4)	O4w—H4w1	0.86
Zn3—O1w	2.288 (8)	O4w—H4w2	0.86
O1—C7	1.241 (8)	O5w—H5w1	0.87
O2—C7	1.244 (8)	O5w—H5w2	0.88
O3—C8	1.265 (8)	O6w—H6w1	0.88
O4—C8	1.244 (8)	O6w—H6w2	0.87
O5—C9	1.245 (8)	O7w—H7w1	0.89
O6—C9	1.245 (8)	O7w—H7w2	0.87
O7—C10	1.246 (8)	C3—H3	0.93
O8—C10	1.236 (8)	C6—H6	0.93
C1—C2	1.393 (9)

O4ⁱ—Zn1—O4ⁱⁱ	180.0 (2)	C10—O7—Zn2	136.1 (4)
O4ⁱ—Zn1—O8	90.5 (2)	C10—O8—Zn1	132.6 (4)
O4ⁱ—Zn1—O8ⁱⁱⁱ	89.5 (2)	C10—O8—Zn3	134.7 (4)
O4ⁱ—Zn1—O9	90.8 (2)	Zn1—O8—Zn3	92.7 (2)
O4ⁱ—Zn1—O9ⁱⁱⁱ	89.3 (2)	Zn2—O9—Zn1	119.1 (2)
O4ⁱⁱ—Zn1—O8	89.5 (2)	Zn2—O9—Zn3ⁱⁱⁱ	115.5 (2)
O4ⁱⁱ—Zn1—O8ⁱⁱⁱ	90.5 (2)	Zn1—O9—Zn3ⁱⁱⁱ	96.4 (2)
O4ⁱⁱ—Zn1—O9	89.3 (2)	C2—C1—C6	119.1 (6)
O4ⁱⁱ—Zn1—O9ⁱⁱⁱ	90.8 (2)	C2—C1—C7	124.8 (6)
O8—Zn1—O8ⁱⁱⁱ	180.0 (2)	C6—C1—C7	116.1 (5)
O8—Zn1—O9	97.3 (2)	C1—C2—C3	118.8 (6)
O8—Zn1—O9ⁱⁱⁱ	82.7 (2)	C1—C2—C8	122.3 (6)
O8ⁱⁱⁱ—Zn1—O9	82.7 (2)	C3—C2—C8	118.9 (6)
O8ⁱⁱⁱ—Zn1—O9ⁱⁱⁱ	97.3 (2)	C4—C3—C2	122.1 (6)
O9—Zn1—O9ⁱⁱⁱ	180.0	C3—C4—C5	118.7 (6)
O2^iv—Zn2—O5^v	88.4 (2)	C3—C4—C9	115.9 (5)
O2^iv—Zn2—O6^v	86.2 (2)	C5—C4—C9	125.4 (5)
O2^iv—Zn2—O7	164.6 (2)	C6—C5—C4	119.7 (6)
O2^iv—Zn2—O9	98.6 (2)	C6—C5—C10	117.4 (5)
O2^iv—Zn2—O2w	87.5 (2)	C4—C5—C10	122.9 (5)
O5^v—Zn2—O6^v	54.42 (16)	C5—C6—C1	121.6 (6)
O5^v—Zn2—O7	94.2 (2)	O1—C7—O2	127.3 (6)
O5^v—Zn2—O9	80.0 (2)	O1—C7—C1	116.8 (6)
O5^v—Zn2—O2w	160.2 (2)	O2—C7—C1	115.7 (6)
O6^v—Zn2—O7	83.04 (19)	O4—C8—O3	126.2 (6)
O6^v—Zn2—O9	134.1 (2)	O4—C8—C2	118.0 (6)
O6^v—Zn2—O2w	105.9 (2)	O3—C8—C2	115.8 (6)
O7—Zn2—O9	96.8 (2)	O5—C9—O6	121.1 (6)
O7—Zn2—O2w	85.0 (2)	O5—C9—C4	120.9 (6)
O9—Zn2—O2w	119.8 (2)	O6—C9—C4	117.8 (6)
O1^vi—Zn3—O3ⁱⁱ	98.8 (2)	O8—C10—O7	126.3 (6)
O1^vi—Zn3—O5	88.2 (2)	O8—C10—C5	118.3 (6)
O1^vi—Zn3—O8	171.8 (2)	O7—C10—C5	115.3 (5)
O1^vi—Zn3—O9ⁱⁱⁱ	98.2 (2)	Zn2—O9—H9	108.3
O1^vi—Zn3—O1w	80.5 (3)	Zn1—O9—H9	108.3
O3ⁱⁱ—Zn3—O5	165.2 (2)	Zn3ⁱⁱⁱ—O9—H9	108.3
O3ⁱⁱ—Zn3—O8	89.4 (2)	Zn3—O1w—H1w1	121
O3ⁱⁱ—Zn3—O9ⁱⁱⁱ	92.7 (2)	Zn3—O1w—H1w2	128
O3ⁱⁱ—Zn3—O1w	77.4 (2)	H1w1—O1w—H1w2	109
O5—Zn3—O8	83.8 (2)	Zn2—O2w—H2w1	131
O5—Zn3—O9ⁱⁱⁱ	99.3 (2)	Zn2—O2w—H2w2	87
O5—Zn3—O1w	91.0 (2)	H2w1—O2w—H2w2	109
O8—Zn3—O9ⁱⁱⁱ	81.7 (2)	H3w1—O3w—H3w2	109
O8—Zn3—O1w	101.1 (2)	H4w1—O4w—H4w2	108
O9ⁱⁱⁱ—Zn3—O1w	169.5 (2)	H5w1—O5w—H5w2	106
C7—O1—Zn3^vii	128.4 (4)	H6w1—O6w—H6w2	106
C7—O2—Zn2^viii	134.4 (4)	H7w1—O7w—H7w2	104
C8—O3—Zn3^ix	129.9 (4)	C4—C3—H3	119.0
C8—O4—Zn1^x	128.1 (4)	C2—C3—H3	119.0
C9—O5—Zn3	132.8 (4)	C5—C6—H6	119.2
C9—O6—Zn2^xi	104.3 (4)	C1—C6—H6	119.2

O3ⁱⁱ—Zn3—O5—C9	20 (1)	C7—C1—C2—C8	−3 (1)
O1^vi—Zn3—O5—C9	138.7 (6)	C1—C2—C3—C4	2 (1)
O9ⁱⁱⁱ—Zn3—O5—C9	−123.3 (6)	C8—C2—C3—C4	−175.4 (6)
O8—Zn3—O5—C9	−42.8 (6)	C2—C3—C4—C5	−4 (1)
O1w—Zn3—O5—C9	58.2 (6)	C2—C3—C4—C9	176.5 (6)
O9—Zn2—O7—C10	−20.6 (8)	C3—C4—C5—C6	1.9 (9)
O2w—Zn2—O7—C10	98.9 (8)	C9—C4—C5—C6	−178.1 (6)
O6^v—Zn2—O7—C10	−154.3 (8)	C3—C4—C5—C10	−177.6 (6)
O2^iv—Zn2—O7—C10	159.8 (7)	C9—C4—C5—C10	3 (1)
O5^v—Zn2—O7—C10	−101.0 (7)	C4—C5—C6—C1	1 (1)
O4ⁱⁱ—Zn1—O8—C10	110.9 (6)	C10—C5—C6—C1	−179.7 (6)
O4ⁱ—Zn1—O8—C10	−69.1 (6)	C2—C1—C6—C5	−2 (1)
O9ⁱⁱⁱ—Zn1—O8—C10	−158.3 (6)	C7—C1—C6—C5	178.8 (6)
O9—Zn1—O8—C10	21.7 (6)	Zn3^vii—O1—C7—O2	28 (1)
O4ⁱⁱ—Zn1—O8—Zn3	−71.9 (2)	Zn3^vii—O1—C7—C1	−146.2 (5)
O4ⁱ—Zn1—O8—Zn3	108.1 (2)	Zn2^viii—O2—C7—O1	−7 (1)
O9ⁱⁱⁱ—Zn1—O8—Zn3	18.9 (2)	Zn2^viii—O2—C7—C1	166.6 (4)
O9—Zn1—O8—Zn3	−161.1 (2)	C2—C1—C7—O1	−73.7 (9)
O3ⁱⁱ—Zn3—O8—C10	−109.0 (6)	C6—C1—C7—O1	105.5 (7)
O5—Zn3—O8—C10	57.8 (6)	C2—C1—C7—O2	111.6 (7)
O9ⁱⁱⁱ—Zn3—O8—C10	158.2 (6)	C6—C1—C7—O2	−69.1 (8)
O1w—Zn3—O8—C10	−32.0 (7)	Zn1^x—O4—C8—O3	−5 (1)
O3ⁱⁱ—Zn3—O8—Zn1	73.8 (2)	Zn1^x—O4—C8—C2	174.9 (4)
O5—Zn3—O8—Zn1	−119.4 (2)	Zn3^ix—O3—C8—O4	3 (1)
O9ⁱⁱⁱ—Zn3—O8—Zn1	−19.0 (2)	Zn3^ix—O3—C8—C2	−177.1 (5)
O1w—Zn3—O8—Zn1	150.8 (2)	C1—C2—C8—O4	−19 (1)
O2w—Zn2—O9—Zn1	−52.9 (3)	C3—C2—C8—O4	158.7 (6)
O6^v—Zn2—O9—Zn1	122.1 (3)	C1—C2—C8—O3	161.0 (6)
O2^iv—Zn2—O9—Zn1	−144.9 (2)	C3—C2—C8—O3	−21.3 (9)
O7—Zn2—O9—Zn1	35.2 (3)	Zn3—O5—C9—O6	166.4 (5)
O5^v—Zn2—O9—Zn1	128.3 (2)	Zn3—O5—C9—C4	−18.6 (9)
O2w—Zn2—O9—Zn3ⁱⁱⁱ	61.0 (3)	Zn2^xi—O6—C9—O5	0.5 (7)
O6^v—Zn2—O9—Zn3ⁱⁱⁱ	−124.0 (2)	Zn2^xi—O6—C9—C4	−174.7 (4)
O2^iv—Zn2—O9—Zn3ⁱⁱⁱ	−31.0 (3)	C3—C4—C9—O5	−118.8 (7)
O7—Zn2—O9—Zn3ⁱⁱⁱ	149.1 (2)	C5—C4—C9—O5	61.1 (9)
O5^v—Zn2—O9—Zn3ⁱⁱⁱ	−117.7 (2)	C3—C4—C9—O6	56.3 (8)
O4ⁱⁱ—Zn1—O9—Zn2	−125.7 (2)	C5—C4—C9—O6	−123.7 (7)
O4ⁱ—Zn1—O9—Zn2	54.3 (2)	Zn1—O8—C10—O7	−7 (1)
O8—Zn1—O9—Zn2	−36.3 (3)	Zn3—O8—C10—O7	176.9 (5)
O8ⁱⁱⁱ—Zn1—O9—Zn2	143.7 (3)	Zn1—O8—C10—C5	174.6 (4)
O4ⁱⁱ—Zn1—O9—Zn3ⁱⁱⁱ	110.4 (2)	Zn3—O8—C10—C5	−1.5 (9)
O4ⁱ—Zn1—O9—Zn3ⁱⁱⁱ	−69.6 (2)	Zn2—O7—C10—O8	6 (1)
O8—Zn1—O9—Zn3ⁱⁱⁱ	−160.2 (2)	Zn2—O7—C10—C5	−175.7 (5)
O8ⁱⁱⁱ—Zn1—O9—Zn3ⁱⁱⁱ	19.8 (2)	C6—C5—C10—O8	129.7 (7)
C6—C1—C2—C3	0.3 (9)	C4—C5—C10—O8	−50.9 (9)
C7—C1—C2—C3	179.5 (6)	C6—C5—C10—O7	−48.9 (9)
C6—C1—C2—C8	178.0 (6)	C4—C5—C10—O7	130.5 (7)

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

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O9—H9···O5^v	0.98	2.44	2.96 (1)	113
O1w—H1w2···O5w^xi	0.85	2.16	2.86 (2)	139
O1w—H1w1···O7w	0.86	2.27	2.92 (2)	133
O2w—H2w1···O5w^iv	0.85	2.06	2.85 (2)	153
O3w—H3w1···O2	0.85	2.34	2.96 (1)	130
O3w—H3w2···O6w^xii	0.86	1.98	2.82 (2)	169
O4w—H4w1···O6w^xiii	0.86	2.39	2.96 (2)	125
O4w—H4w2···O6w^v	0.86	2.13	2.87 (2)	143
O5w—H5w2···O7w	0.88	2.27	2.69 (2)	110
O7w—H7w1···O6wⁱⁱⁱ	0.89	2.57	2.97 (2)	108
O7w—H7w2···O3w	0.87	2.21	2.96 (2)	144

Symmetry codes: (iii) −x+1, −y+1, −z+1; (iv) −x+1/2, y−1/2, −z+3/2; (v) x−1, y, z; (xi) x+1, y, z; (xii) x, y+1, z; (xiii) −x+1, −y, −z+1.

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On the number of uncoordinated water mol­ecules in the open-framework coordination compound, bis(1,2,4,5-benzene­tetra­carboxyl­ato)­di­hydroxy­tetra­aqua­pentacobalt(II) x-hydrate, and the crystal structure of the isomorphous decahydrated zinc(II) analog

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On the number of uncoordinated water molecules in the open-framework coordination compound, bis(1,2,4,5-benzenetetracarboxylato)dihydroxytetraaquapentacobalt(II) x-hydrate, and the crystal structure of the isomorphous decahydrated zinc(II) analog