catena-Poly­[bis­[(2,2′-bi­pyridine-κ²N,N′)­manganese(II)]-di-μ-4-hydroxy­isophthalato]

The two Mn atoms in the crystal structure of the title compound, [Mn₂(C₈H₄O₅)₂(C₁₀H₈N₂)₂]_n, are each chelated by the bi­pyridine heterocycle as well as by the carboxyl group of the dianionic ligand. Each Mn atom is covalently linked to the singly bonded carboxyl­ate O atom of a second dianion and is datively linked to the carbonyl O atom of a third dianion. The Mn atoms exist in octahedral geometries in the linear polymeric chain.

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean [sigma](C-C) = 0.006 Å
• R factor = 0.039
• wR factor = 0.118
• Data-to-parameter ratio = 11.9

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT241_ALERT_2_B Check High   U(eq) as Compared to Neighbors ....         O5

Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       3.42
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.15 Ratio
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.15 Ratio
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....         O2
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....         O7
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....        O10
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....        C29
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....        C34
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        Mn2

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

   0 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
   0 ALERT type 4 Improvement, methodology, query or suggestion

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Computing details

Data collection: SMART (Bruker, 1999); cell refinement: SMART; data reduction: SAINT (Bruker, 1999); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.

catena-Poly[bis[(2,2'-bipyridine-κ²N,N')manganese(II)]-di-µ-4- hydroxyisophthalato]

Crystal data

[Mn2(C10H8N2)2(C8H4O5)2]	Z = 2
Mr = 782.47	F(000) = 796
Triclinic, P1	Dx = 1.610 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 9.473 (1) Å	Cell parameters from 883 reflections
b = 10.694 (1) Å	θ = 2.6–26.6°
c = 17.900 (2) Å	µ = 0.85 mm^−1
α = 79.413 (2)°	T = 298 K
β = 86.879 (3)°	Prism, pale yellow
γ = 64.923 (2)°	0.50 × 0.24 × 0.14 mm
V = 1613.9 (3) Å^3

Data collection

Bruker AXS 1K area-detector diffractometer	5605 independent reflections
Radiation source: normal-focus sealed tube	4418 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.016
φ and ω scans	θmax = 25.0°, θmin = 2.1°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −11→10
Tmin = 0.789, Tmax = 0.890	k = −12→12
8340 measured reflections	l = −12→21

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.039	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.118	H-atom parameters constrained
S = 1.04	w = 1/[σ^2(Fo^2) + (0.0654P)^2 + 0.961P] where P = (Fo^2 + 2Fc^2)/3
5605 reflections	(Δ/σ)max < 0.001
471 parameters	Δρmax = 1.23 e Å^−3
0 restraints	Δρmin = −0.36 e Å^−3

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

	x	y	z	Uiso*/Ueq
Mn1	0.36821 (6)	0.37240 (5)	0.52095 (2)	0.0372 (2)
Mn2	0.54958 (6)	−0.11682 (5)	0.90345 (2)	0.0372 (2)
O1	0.3370 (3)	0.2618 (3)	0.6424 (1)	0.053 (1)
O2	0.1801 (3)	0.4814 (3)	0.6017 (1)	0.056 (1)
O3	−0.0056 (3)	0.6301 (3)	0.6926 (2)	0.074 (1)
O4	0.3198 (3)	0.2379 (3)	0.9976 (1)	0.054 (1)
O5	0.4183 (4)	0.0850 (2)	0.9218 (1)	0.069 (1)
O6	0.5839 (3)	−0.0082 (2)	0.7826 (2)	0.053 (1)
O7	0.7828 (3)	−0.1035 (3)	0.8634 (1)	0.059 (1)
O8	1.0181 (3)	−0.0451 (3)	0.8401 (2)	0.068 (1)
O9	0.7434 (3)	0.4492 (2)	0.5622 (1)	0.053 (1)
O10	0.5523 (3)	0.3821 (3)	0.5749 (1)	0.060 (1)
N1	0.2682 (3)	0.2413 (3)	0.4797 (1)	0.042 (1)
N2	0.5362 (3)	0.2519 (3)	0.4379 (2)	0.041 (1)
N3	0.3565 (3)	−0.1809 (3)	0.9495 (2)	0.046 (1)
N4	0.5593 (3)	−0.2896 (3)	0.8454 (1)	0.038 (1)
C1	0.2405 (4)	0.3768 (4)	0.6549 (2)	0.042 (1)
C2	0.1942 (3)	0.3983 (3)	0.7345 (2)	0.036 (1)
C3	0.0785 (4)	0.5246 (3)	0.7490 (2)	0.041 (1)
C4	0.0439 (4)	0.5446 (3)	0.8236 (2)	0.046 (1)
C5	0.1239 (3)	0.4400 (3)	0.8826 (2)	0.039 (1)
C6	0.2405 (3)	0.3126 (3)	0.8695 (2)	0.034 (1)
C7	0.2735 (3)	0.2933 (3)	0.7952 (2)	0.034 (1)
C8	0.3325 (4)	0.2032 (3)	0.9336 (2)	0.038 (1)
C9	0.7134 (4)	−0.0193 (3)	0.8038 (2)	0.043 (1)
C10	0.7865 (3)	0.0690 (3)	0.7606 (2)	0.035 (1)
C11	0.9323 (4)	0.0558 (3)	0.7826 (2)	0.041 (1)
C12	0.9920 (4)	0.1476 (3)	0.7455 (2)	0.046 (1)
C13	0.9121 (4)	0.2482 (3)	0.6848 (2)	0.040 (1)
C14	0.7691 (3)	0.2608 (3)	0.6598 (2)	0.032 (1)
C15	0.7065 (3)	0.1724 (3)	0.6994 (2)	0.032 (1)
C16	0.6817 (4)	0.3711 (3)	0.5944 (2)	0.038 (1)
C17	0.1316 (4)	0.2416 (4)	0.5022 (2)	0.054 (1)
C18	0.0781 (5)	0.1514 (5)	0.4822 (2)	0.065 (1)
C19	0.1671 (5)	0.0592 (5)	0.4369 (3)	0.070 (1)
C20	0.3057 (5)	0.0581 (4)	0.4127 (2)	0.058 (1)
C21	0.3549 (4)	0.1517 (3)	0.4343 (2)	0.038 (1)
C22	0.4993 (4)	0.1634 (3)	0.4073 (2)	0.040 (1)
C23	0.5864 (4)	0.0963 (4)	0.3513 (2)	0.060 (1)
C24	0.7106 (5)	0.1235 (5)	0.3242 (3)	0.076 (1)
C25	0.7480 (5)	0.2135 (5)	0.3546 (3)	0.067 (1)
C26	0.6586 (4)	0.2747 (4)	0.4116 (2)	0.053 (1)
C27	0.2587 (5)	−0.1244 (4)	1.0029 (2)	0.063 (1)
C28	0.1677 (6)	−0.1837 (6)	1.0414 (3)	0.090 (2)
C29	0.1823 (7)	−0.3108 (7)	1.0273 (3)	0.102 (2)
C30	0.2812 (6)	−0.3695 (5)	0.9725 (3)	0.081 (1)
C31	0.3638 (4)	−0.3014 (4)	0.9334 (2)	0.050 (1)
C32	0.4671 (4)	−0.3539 (4)	0.8705 (2)	0.047 (1)
C33	0.4661 (6)	−0.4594 (5)	0.8370 (3)	0.081 (2)
C34	0.5619 (6)	−0.5015 (5)	0.7783 (3)	0.094 (2)
C35	0.6573 (5)	−0.4370 (4)	0.7524 (3)	0.068 (1)
C36	0.6514 (4)	−0.3311 (3)	0.7874 (2)	0.047 (1)
H3	0.0317	0.6115	0.6515	0.089*
H8	0.9685	−0.0890	0.8597	0.101*
H4	−0.0335	0.6289	0.8334	0.055*
H5	0.1001	0.4542	0.9324	0.046*
H7	0.3501	0.2085	0.7856	0.041*
H12	1.0869	0.1410	0.7618	0.056*
H13	0.9538	0.3088	0.6600	0.048*
H15	0.6090	0.1826	0.6846	0.039*
H17	0.0704	0.3055	0.5326	0.065*
H18	−0.0170	0.1530	0.4993	0.078*
H19	0.1329	−0.0028	0.4226	0.084*
H20	0.3672	−0.0049	0.3820	0.069*
H23	0.5617	0.0330	0.3318	0.071*
H24	0.7691	0.0806	0.2852	0.091*
H25	0.8322	0.2328	0.3372	0.080*
H26	0.6847	0.3353	0.4330	0.063*
H27	0.2524	−0.0408	1.0144	0.076*
H28	0.0971	−0.1390	1.0765	0.107*
H29	0.1256	−0.3559	1.0546	0.123*
H30	0.2924	−0.4551	0.9619	0.097*
H33	0.4001	−0.5020	0.8544	0.097*
H34	0.5624	−0.5736	0.7559	0.113*
H35	0.7239	−0.4641	0.7125	0.082*
H36	0.7149	−0.2859	0.7697	0.056*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Mn1	0.0552 (3)	0.0384 (3)	0.0253 (2)	−0.0268 (2)	0.0023 (2)	−0.0058 (2)
Mn2	0.0542 (3)	0.0365 (3)	0.0258 (2)	−0.0242 (2)	−0.0033 (2)	−0.0034 (2)
O1	0.060 (2)	0.064 (2)	0.033 (1)	−0.022 (1)	0.003 (1)	−0.016 (1)
O2	0.069 (2)	0.064 (2)	0.026 (1)	−0.024 (1)	−0.002 (1)	0.005 (1)
O3	0.074 (2)	0.069 (2)	0.053 (2)	−0.013 (2)	−0.005 (1)	0.009 (1)
O4	0.065 (2)	0.064 (2)	0.025 (1)	−0.019 (1)	−0.005 (1)	−0.004 (1)
O5	0.105 (2)	0.035 (1)	0.045 (1)	−0.009 (1)	−0.013 (1)	0.001 (1)
O6	0.055 (2)	0.043 (1)	0.063 (2)	−0.028 (1)	0.006 (1)	−0.001 (1)
O7	0.078 (2)	0.051 (1)	0.043 (1)	−0.031 (1)	−0.003 (1)	0.011 (1)
O8	0.065 (2)	0.061 (2)	0.063 (2)	−0.020 (1)	−0.018 (1)	0.010 (1)
O9	0.068 (2)	0.048 (1)	0.039 (1)	−0.029 (1)	0.005 (1)	0.006 (1)
O10	0.079 (2)	0.065 (2)	0.044 (1)	−0.041 (1)	−0.023 (1)	0.007 (1)
N1	0.056 (2)	0.049 (2)	0.032 (1)	−0.032 (1)	0.003 (1)	−0.007 (1)
N2	0.047 (2)	0.042 (1)	0.039 (1)	−0.023 (1)	0.001 (1)	−0.010 (1)
N3	0.053 (2)	0.052 (2)	0.040 (2)	−0.025 (1)	0.005 (1)	−0.018 (1)
N4	0.044 (1)	0.037 (1)	0.036 (1)	−0.019 (1)	0.002 (1)	−0.009 (1)
C1	0.047 (2)	0.060 (2)	0.025 (2)	−0.028 (2)	−0.003 (1)	−0.004 (2)
C2	0.040 (2)	0.044 (2)	0.026 (2)	−0.021 (1)	0.000 (1)	−0.004 (1)
C3	0.038 (2)	0.044 (2)	0.033 (2)	−0.015 (1)	−0.004 (1)	0.005 (1)
C4	0.041 (2)	0.044 (2)	0.044 (2)	−0.010 (2)	0.001 (2)	−0.009 (2)
C5	0.043 (2)	0.050 (2)	0.026 (2)	−0.022 (2)	0.005 (1)	−0.009 (1)
C6	0.043 (2)	0.037 (2)	0.026 (1)	−0.022 (1)	−0.001 (1)	−0.003 (1)
C7	0.043 (2)	0.035 (2)	0.026 (1)	−0.019 (1)	0.000 (1)	−0.004 (1)
C8	0.048 (2)	0.041 (2)	0.028 (2)	−0.024 (2)	−0.001 (1)	−0.001 (1)
C9	0.058 (2)	0.031 (2)	0.040 (2)	−0.018 (2)	0.009 (2)	−0.008 (1)
C10	0.045 (2)	0.030 (2)	0.033 (2)	−0.016 (1)	0.006 (1)	−0.009 (1)
C11	0.046 (2)	0.036 (2)	0.034 (2)	−0.011 (1)	−0.001 (1)	−0.005 (1)
C12	0.039 (2)	0.049 (2)	0.051 (2)	−0.019 (2)	−0.002 (2)	−0.010 (2)
C13	0.043 (2)	0.039 (2)	0.041 (2)	−0.021 (1)	0.010 (1)	−0.010 (1)
C14	0.047 (2)	0.028 (1)	0.026 (1)	−0.018 (1)	0.005 (1)	−0.009 (1)
C15	0.038 (2)	0.032 (2)	0.028 (1)	−0.014 (1)	0.000 (1)	−0.009 (1)
C16	0.054 (2)	0.036 (2)	0.024 (1)	−0.020 (2)	0.005 (1)	−0.009 (1)
C17	0.063 (2)	0.071 (2)	0.044 (2)	−0.042 (2)	0.011 (2)	−0.014 (2)
C18	0.075 (3)	0.087 (3)	0.058 (2)	−0.059 (2)	0.008 (2)	−0.012 (2)
C19	0.090 (3)	0.077 (3)	0.076 (3)	−0.063 (3)	0.005 (2)	−0.024 (2)
C20	0.071 (2)	0.053 (2)	0.064 (2)	−0.037 (2)	0.000 (2)	−0.020 (2)
C21	0.053 (2)	0.032 (2)	0.031 (2)	−0.019 (1)	−0.007 (1)	−0.004 (1)
C22	0.047 (2)	0.034 (2)	0.039 (2)	−0.015 (1)	−0.005 (1)	−0.008 (1)
C23	0.057 (2)	0.061 (2)	0.068 (2)	−0.023 (2)	0.010 (2)	−0.038 (2)
C24	0.057 (2)	0.088 (3)	0.088 (3)	−0.024 (2)	0.026 (2)	−0.050 (3)
C25	0.050 (2)	0.077 (3)	0.080 (3)	−0.029 (2)	0.019 (2)	−0.029 (2)
C26	0.051 (2)	0.057 (2)	0.060 (2)	−0.030 (2)	0.007 (2)	−0.017 (2)
C27	0.076 (3)	0.072 (3)	0.055 (2)	−0.038 (2)	0.024 (2)	−0.035 (2)
C28	0.101 (4)	0.133 (4)	0.071 (3)	−0.073 (4)	0.049 (3)	−0.057 (3)
C29	0.128 (4)	0.143 (5)	0.094 (4)	−0.105 (4)	0.062 (3)	−0.058 (4)
C30	0.108 (4)	0.098 (3)	0.082 (3)	−0.078 (3)	0.042 (3)	−0.045 (3)
C31	0.060 (2)	0.058 (2)	0.046 (2)	−0.036 (2)	0.010 (2)	−0.020 (2)
C32	0.057 (2)	0.045 (2)	0.051 (2)	−0.029 (2)	0.011 (2)	−0.020 (2)
C33	0.100 (3)	0.079 (3)	0.104 (4)	−0.066 (3)	0.049 (3)	−0.056 (3)
C34	0.113 (4)	0.090 (3)	0.120 (4)	−0.065 (3)	0.059 (3)	−0.078 (3)
C35	0.069 (3)	0.067 (3)	0.077 (3)	−0.029 (2)	0.029 (2)	−0.041 (2)
C36	0.048 (2)	0.048 (2)	0.047 (2)	−0.021 (2)	0.008 (2)	−0.016 (2)

Geometric parameters (Å, º)

Mn1—O1	2.344 (2)	C14—C15	1.389 (4)
Mn1—O2	2.280 (2)	C14—C16	1.490 (4)
Mn1—O9^i	2.096 (2)	C17—C18	1.371 (5)
Mn1—O10	2.088 (2)	C18—C19	1.362 (6)
Mn1—N1	2.235 (3)	C19—C20	1.356 (6)
Mn1—N2	2.261 (3)	C20—C21	1.388 (4)
Mn2—O4^ii	2.093 (2)	C21—C22	1.472 (5)
Mn2—O5	2.062 (3)	C22—C23	1.370 (5)
Mn2—O6	2.336 (2)	C23—C24	1.371 (6)
Mn2—O7	2.339 (3)	C24—C25	1.361 (6)
Mn2—N3	2.277 (3)	C25—C26	1.366 (5)
Mn2—N4	2.248 (2)	C27—C28	1.363 (6)
O1—C1	1.234 (4)	C28—C29	1.376 (7)
O2—C1	1.270 (4)	C29—C30	1.364 (6)
O3—C3	1.354 (4)	C30—C31	1.368 (5)
O4—C8	1.253 (4)	C31—C32	1.479 (5)
O5—C8	1.230 (4)	C32—C33	1.376 (5)
O6—C9	1.255 (4)	C33—C34	1.361 (6)
O7—C9	1.267 (4)	C34—C35	1.368 (6)
O8—C11	1.351 (4)	C35—C36	1.372 (5)
O9—C16	1.253 (4)	O3—H3	0.82
O10—C16	1.244 (4)	O8—H8	0.82
N1—C17	1.332 (4)	C4—H4	0.93
N1—C21	1.341 (4)	C5—H5	0.93
N2—C26	1.328 (4)	C7—H7	0.93
N2—C22	1.345 (4)	C12—H12	0.93
N3—C27	1.334 (4)	C13—H13	0.93
N3—C31	1.343 (4)	C15—H15	0.93
N4—C36	1.334 (4)	C17—H17	0.93
N4—C32	1.339 (4)	C18—H18	0.93
C1—C2	1.497 (4)	C19—H19	0.93
C2—C3	1.391 (4)	C20—H20	0.93
C2—C7	1.389 (4)	C23—H23	0.93
C3—C4	1.391 (5)	C24—H24	0.93
C4—C5	1.370 (4)	C25—H25	0.93
C5—C6	1.395 (4)	C26—H26	0.93
C6—C7	1.382 (4)	C27—H27	0.93
C6—C8	1.482 (4)	C28—H28	0.93
C9—C10	1.482 (4)	C29—H29	0.93
C10—C15	1.389 (4)	C30—H30	0.93
C10—C11	1.399 (4)	C33—H33	0.93
C11—C12	1.383 (4)	C34—H34	0.93
C12—C13	1.372 (5)	C35—H35	0.93
C13—C14	1.394 (4)	C36—H36	0.93
O1—Mn1—O2	56.5 (1)	C15—C14—C16	120.7 (3)
O1—Mn1—O9^i	142.7 (1)	C13—C14—C16	120.7 (3)
O1—Mn1—O10	83.0 (1)	C14—C15—C10	121.3 (3)
O1—Mn1—N1	84.7 (1)	O10—C16—O9	123.5 (3)
O1—Mn1—N2	121.8 (1)	O10—C16—C14	119.1 (3)
O2—Mn1—O9^i	87.1 (1)	O9—C16—C14	117.4 (3)
O2—Mn1—O10	96.4 (1)	N1—C17—C18	122.4 (4)
O2—Mn1—N1	100.8 (1)	C19—C18—C17	118.7 (4)
O2—Mn1—N2	173.1 (1)	C20—C19—C18	119.9 (4)
O9^i—Mn1—O10	111.5 (1)	C19—C20—C21	119.4 (4)
O9^i—Mn1—N1	95.8 (1)	N1—C21—C20	120.7 (3)
O9^i—Mn1—N2	93.3 (1)	N1—C21—C22	116.1 (3)
O10—Mn1—N1	148.4 (1)	C20—C21—C22	123.2 (3)
O10—Mn1—N2	89.9 (1)	N2—C22—C23	121.2 (3)
N1—Mn1—N2	72.3 (1)	N2—C22—C21	115.8 (3)
O4^ii—Mn2—O5	109.1 (1)	C23—C22—C21	122.9 (3)
O4^ii—Mn2—O6	139.6 (1)	C22—C23—C24	119.2 (4)
O4^ii—Mn2—O7	83.9 (1)	C25—C24—C23	119.7 (4)
O4^ii—Mn2—N3	87.7 (1)	C24—C25—C26	118.2 (4)
O4^ii—Mn2—N4	99.4 (1)	N2—C26—C25	123.2 (3)
O5—Mn2—O6	84.7 (1)	N3—C27—C28	122.9 (4)
O5—Mn2—O7	101.0 (1)	C27—C28—C29	118.8 (4)
O5—Mn2—N3	90.6 (1)	C30—C29—C28	118.9 (4)
O5—Mn2—N4	145.9 (1)	C29—C30—C31	119.4 (4)
O6—Mn2—O7	56.0 (1)	N3—C31—C30	122.1 (3)
O6—Mn2—N3	131.0 (1)	N3—C31—C32	115.0 (3)
O6—Mn2—N4	85.6 (1)	C30—C31—C32	122.8 (3)
O7—Mn2—N3	167.4 (1)	N4—C32—C33	120.9 (3)
O7—Mn2—N4	100.4 (1)	N4—C32—C31	116.3 (3)
N3—Mn2—N4	71.7 (1)	C33—C32—C31	122.7 (3)
C1—O1—Mn1	88.8 (2)	C34—C33—C32	120.0 (4)
C1—O2—Mn1	90.8 (2)	C33—C34—C35	119.6 (4)
C8—O4—Mn2^ii	126.9 (2)	C34—C35—C36	117.8 (4)
C8—O5—Mn2	176.1 (3)	N4—C36—C35	123.4 (3)
C9—O6—Mn2	90.4 (2)	C3—O3—H3	109.5
C9—O7—Mn2	89.9 (2)	C11—O8—H8	109.5
C16—O9—Mn1^i	124.5 (2)	C5—C4—H4	120.0
C16—O10—Mn1	165.3 (2)	C3—C4—H4	120.0
C17—N1—C21	119.0 (3)	C4—C5—H5	119.4
C17—N1—Mn1	122.9 (2)	C6—C5—H5	119.4
C21—N1—Mn1	118.0 (2)	C6—C7—H7	119.4
C26—N2—C22	118.4 (3)	C2—C7—H7	119.4
C26—N2—Mn1	123.8 (2)	C13—C12—H12	119.8
C22—N2—Mn1	117.3 (2)	C11—C12—H12	119.8
C27—N3—C31	117.7 (3)	C12—C13—H13	119.6
C27—N3—Mn2	124.1 (2)	C14—C13—H13	119.6
C31—N3—Mn2	116.7 (2)	C14—C15—H15	119.3
C36—N4—C32	118.3 (3)	C10—C15—H15	119.3
C36—N4—Mn2	123.7 (2)	N1—C17—H17	118.8
C32—N4—Mn2	118.0 (2)	C18—C17—H17	118.8
O1—C1—O2	121.7 (3)	C19—C18—H18	120.7
O1—C1—C2	120.6 (3)	C17—C18—H18	120.7
O2—C1—C2	117.6 (3)	C20—C19—H19	120.1
C3—C2—C7	119.3 (3)	C18—C19—H19	120.1
C3—C2—C1	121.1 (3)	C19—C20—H20	120.3
C7—C2—C1	119.5 (3)	C21—C20—H20	120.3
O3—C3—C2	122.3 (3)	C22—C23—H23	120.4
O3—C3—C4	117.7 (3)	C24—C23—H23	120.4
C2—C3—C4	119.9 (3)	C25—C24—H24	120.1
C5—C4—C3	119.9 (3)	C23—C24—H24	120.1
C4—C5—C6	121.2 (3)	C24—C25—H25	120.9
C7—C6—C5	118.5 (3)	C26—C25—H25	120.9
C7—C6—C8	120.7 (3)	N2—C26—H26	118.4
C5—C6—C8	120.7 (3)	C25—C26—H26	118.4
C6—C7—C2	121.2 (3)	N3—C27—H27	118.6
O5—C8—O4	123.3 (3)	C28—C27—H27	118.6
O5—C8—C6	119.4 (3)	C27—C28—H28	120.6
O4—C8—C6	117.3 (3)	C29—C28—H28	120.6
O6—C9—O7	120.8 (3)	C30—C29—H29	120.6
O6—C9—C10	120.6 (3)	C28—C29—H29	120.6
O7—C9—C10	118.5 (3)	C29—C30—H30	120.3
C15—C10—C11	118.7 (3)	C31—C30—H30	120.3
C15—C10—C9	120.0 (3)	C34—C33—H33	120.0
C11—C10—C9	121.2 (3)	C32—C33—H33	120.0
O8—C11—C12	118.2 (3)	C33—C34—H34	120.2
O8—C11—C10	121.6 (3)	C35—C34—H34	120.2
C12—C11—C10	120.2 (3)	C34—C35—H35	121.1
C13—C12—C11	120.3 (3)	C36—C35—H35	121.1
C12—C13—C14	120.8 (3)	N4—C36—H36	118.3
C15—C14—C13	118.6 (3)	C35—C36—H36	118.3
O10—Mn1—O1—C1	94.0 (2)	C7—C6—C8—O5	−13.6 (4)
O9^i—Mn1—O1—C1	−22.6 (3)	C5—C6—C8—O5	169.5 (3)
N1—Mn1—O1—C1	−115.2 (2)	C7—C6—C8—O4	165.3 (3)
N2—Mn1—O1—C1	179.5 (2)	C5—C6—C8—O4	−11.6 (4)
O2—Mn1—O1—C1	−8.5 (2)	Mn2—O6—C9—O7	17.2 (3)
O10—Mn1—O2—C1	−69.0 (2)	Mn2—O6—C9—C10	−161.1 (3)
O9^i—Mn1—O2—C1	179.7 (2)	Mn2—O7—C9—O6	−17.2 (3)
N1—Mn1—O2—C1	84.4 (2)	Mn2—O7—C9—C10	161.1 (2)
O1—Mn1—O2—C1	8.2 (2)	O6—C9—C10—C15	4.9 (4)
O5—Mn2—O6—C9	97.5 (2)	O7—C9—C10—C15	−173.5 (3)
O4^ii—Mn2—O6—C9	−16.1 (3)	O6—C9—C10—C11	−178.7 (3)
N4—Mn2—O6—C9	−115.3 (2)	O7—C9—C10—C11	3.0 (4)
N3—Mn2—O6—C9	−176.3 (2)	C15—C10—C11—O8	−178.0 (3)
O7—Mn2—O6—C9	−9.6 (2)	C9—C10—C11—O8	5.5 (5)
O5—Mn2—O7—C9	−66.4 (2)	C15—C10—C11—C12	2.2 (4)
O4^ii—Mn2—O7—C9	−174.7 (2)	C9—C10—C11—C12	−174.3 (3)
N4—Mn2—O7—C9	86.8 (2)	O8—C11—C12—C13	177.3 (3)
N3—Mn2—O7—C9	136.9 (4)	C10—C11—C12—C13	−2.9 (5)
O6—Mn2—O7—C9	9.5 (2)	C11—C12—C13—C14	0.6 (5)
O9^i—Mn1—O10—C16	−93.2 (9)	C12—C13—C14—C15	2.2 (4)
N1—Mn1—O10—C16	54.6 (9)	C12—C13—C14—C16	179.3 (3)
N2—Mn1—O10—C16	0.4 (9)	C13—C14—C15—C10	−2.8 (4)
O2—Mn1—O10—C16	177.4 (9)	C16—C14—C15—C10	−180.0 (3)
O1—Mn1—O10—C16	122.5 (9)	C11—C10—C15—C14	0.6 (4)
O10—Mn1—N1—C17	122.3 (3)	C9—C10—C15—C14	177.2 (3)
O9^i—Mn1—N1—C17	−87.5 (3)	Mn1—O10—C16—O9	80.4 (9)
N2—Mn1—N1—C17	−179.2 (3)	Mn1—O10—C16—C14	−100.3 (9)
O2—Mn1—N1—C17	0.6 (3)	Mn1^i—O9—C16—O10	7.9 (4)
O1—Mn1—N1—C17	54.9 (3)	Mn1^i—O9—C16—C14	−171.5 (2)
O10—Mn1—N1—C21	−53.1 (3)	C15—C14—C16—O10	−0.8 (4)
O9^i—Mn1—N1—C21	97.0 (2)	C13—C14—C16—O10	−177.9 (3)
N2—Mn1—N1—C21	5.4 (2)	C15—C14—C16—O9	178.5 (3)
O2—Mn1—N1—C21	−174.8 (2)	C13—C14—C16—O9	1.5 (4)
O1—Mn1—N1—C21	−120.5 (2)	C21—N1—C17—C18	1.7 (5)
O10—Mn1—N2—C26	−35.6 (3)	Mn1—N1—C17—C18	−173.7 (3)
O9^i—Mn1—N2—C26	75.9 (3)	N1—C17—C18—C19	−0.8 (6)
N1—Mn1—N2—C26	170.9 (3)	C17—C18—C19—C20	0.2 (7)
O1—Mn1—N2—C26	−117.3 (3)	C18—C19—C20—C21	−0.3 (6)
O10—Mn1—N2—C22	152.0 (2)	C17—N1—C21—C20	−1.8 (5)
O9^i—Mn1—N2—C22	−96.4 (2)	Mn1—N1—C21—C20	173.8 (2)
N1—Mn1—N2—C22	−1.5 (2)	C17—N1—C21—C22	176.0 (3)
O1—Mn1—N2—C22	70.3 (2)	Mn1—N1—C21—C22	−8.4 (3)
O5—Mn2—N3—C27	−30.9 (3)	C19—C20—C21—N1	1.2 (5)
O4^ii—Mn2—N3—C27	78.2 (3)	C19—C20—C21—C22	−176.5 (3)
N4—Mn2—N3—C27	178.9 (3)	C26—N2—C22—C23	1.0 (5)
O6—Mn2—N3—C27	−114.4 (3)	Mn1—N2—C22—C23	173.8 (3)
O7—Mn2—N3—C27	126.2 (5)	C26—N2—C22—C21	−175.0 (3)
O5—Mn2—N3—C31	163.6 (3)	Mn1—N2—C22—C21	−2.2 (3)
O4^ii—Mn2—N3—C31	−87.3 (3)	N1—C21—C22—N2	6.9 (4)
N4—Mn2—N3—C31	13.3 (2)	C20—C21—C22—N2	−175.3 (3)
O6—Mn2—N3—C31	80.0 (3)	N1—C21—C22—C23	−169.0 (3)
O7—Mn2—N3—C31	−39.3 (6)	C20—C21—C22—C23	8.8 (5)
O5—Mn2—N4—C36	110.1 (3)	N2—C22—C23—C24	−2.1 (6)
O4^ii—Mn2—N4—C36	−103.3 (3)	C21—C22—C23—C24	173.6 (4)
N3—Mn2—N4—C36	172.2 (3)	C22—C23—C24—C25	1.8 (7)
O6—Mn2—N4—C36	36.3 (2)	C23—C24—C25—C26	−0.3 (7)
O7—Mn2—N4—C36	−17.9 (3)	C22—N2—C26—C25	0.5 (5)
O5—Mn2—N4—C32	−69.7 (3)	Mn1—N2—C26—C25	−171.8 (3)
O4^ii—Mn2—N4—C32	76.9 (2)	C24—C25—C26—N2	−0.8 (6)
N3—Mn2—N4—C32	−7.5 (2)	C31—N3—C27—C28	0.2 (6)
O6—Mn2—N4—C32	−143.5 (2)	Mn2—N3—C27—C28	−165.2 (4)
O7—Mn2—N4—C32	162.3 (2)	N3—C27—C28—C29	3.2 (8)
Mn1—O1—C1—O2	15.0 (3)	C27—C28—C29—C30	−3.4 (9)
Mn1—O1—C1—C2	−163.2 (3)	C28—C29—C30—C31	0.3 (9)
Mn1—O2—C1—O1	−15.4 (3)	C27—N3—C31—C30	−3.5 (6)
Mn1—O2—C1—C2	162.8 (2)	Mn2—N3—C31—C30	163.0 (4)
O1—C1—C2—C3	−175.9 (3)	C27—N3—C31—C32	176.4 (3)
O2—C1—C2—C3	5.9 (4)	Mn2—N3—C31—C32	−17.1 (4)
O1—C1—C2—C7	7.5 (5)	C29—C30—C31—N3	3.2 (7)
O2—C1—C2—C7	−170.8 (3)	C29—C30—C31—C32	−176.7 (5)
C7—C2—C3—O3	−178.5 (3)	C36—N4—C32—C33	−0.5 (5)
C1—C2—C3—O3	4.9 (5)	Mn2—N4—C32—C33	179.3 (3)
C7—C2—C3—C4	0.3 (5)	C36—N4—C32—C31	−178.2 (3)
C1—C2—C3—C4	−176.4 (3)	Mn2—N4—C32—C31	1.6 (4)
O3—C3—C4—C5	178.9 (3)	N3—C31—C32—N4	10.4 (5)
C2—C3—C4—C5	0.1 (5)	C30—C31—C32—N4	−169.7 (4)
C3—C4—C5—C6	0.0 (5)	N3—C31—C32—C33	−167.3 (4)
C4—C5—C6—C7	−0.4 (4)	C30—C31—C32—C33	12.6 (7)
C4—C5—C6—C8	176.6 (3)	N4—C32—C33—C34	1.2 (7)
C5—C6—C7—C2	0.7 (4)	C31—C32—C33—C34	178.7 (5)
C8—C6—C7—C2	−176.2 (3)	C32—C33—C34—C35	−0.8 (9)
C3—C2—C7—C6	−0.7 (4)	C33—C34—C35—C36	−0.2 (8)
C1—C2—C7—C6	176.0 (3)	C32—N4—C36—C35	−0.5 (5)
Mn2^ii—O4—C8—O5	6.0 (5)	Mn2—N4—C36—C35	179.7 (3)
Mn2^ii—O4—C8—C6	−172.75 (19)	C34—C35—C36—N4	0.8 (7)

Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) −x+1, −y, −z+2.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O3—H3···O2	0.82	1.84	2.557 (4)	146
O8—H8···O7	0.82	1.83	2.553 (4)	147