Synthesis and crystal structure of catena-poly[[bis[(2,2′;6′,2′′-terpyridine)­manganese(II)]-μ₄-penta­thio­dianti­monato] tetra­hydrate] showing a 1D MnSbS network

In the crystal structure of the title compound, two [Sb₂S₅ [anions built up of two SbS₃ units sharing common corners with each linked by two [Mn(terpyridine)]²⁺ cations into chains that are further linked into a 3D network by inter­molecular O—H...O and O—H...S hydrogen bonding.

Key indicators

• Single-crystal X-ray study
• T = 200 K
• Mean [sigma](C-C) = 0.023 Å
• R factor = 0.054
• wR factor = 0.182
• Data-to-parameter ratio = 16.0

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT342_ALERT_3_B Low Bond Precision on  C-C Bonds ...............    0.02268 Ang.

Alert level C
PLAT048_ALERT_1_C MoietyFormula Not Given (or Incomplete) ........     Please Check
PLAT220_ALERT_2_C Non-Solvent  Resd 1  C   Ueq(max)/Ueq(min) Range        3.1 Ratio
PLAT234_ALERT_4_C Large Hirshfeld Difference C32      --C33      .       0.21 Ang.
PLAT241_ALERT_2_C High   'MainMol' Ueq as Compared to Neighbors of        C27 Check
PLAT260_ALERT_2_C Large Average Ueq of Residue Including        O2      0.102 Check
PLAT260_ALERT_2_C Large Average Ueq of Residue Including        O3      0.124 Check
PLAT260_ALERT_2_C Large Average Ueq of Residue Including        O4      0.146 Check
PLAT480_ALERT_4_C Long H...A H-Bond Reported H7       ..S3       .       2.93 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H9       ..S3       .       2.97 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H9       ..S5       .       3.02 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H32      ..S4       .       2.97 Ang.
PLAT906_ALERT_3_C Large K Value in the Analysis of Variance ......      4.244 Check
PLAT911_ALERT_3_C Missing FCF Refl Between Thmin & STh/L=    0.600         80 Report
PLAT918_ALERT_3_C Reflection(s) with I(obs) much Smaller I(calc) .          1 Check
PLAT920_ALERT_1_C Theta(Max)  in CIF and FCF Differ by ...........       0.18 Degree

Alert level G
PLAT004_ALERT_5_G Polymeric Structure Found with Maximum Dimension          1 Info
PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms ..............          8 Report
PLAT072_ALERT_2_G SHELXL First  Parameter in WGHT  Unusually Large       0.11 Report
PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT  Unusually Large       7.92 Why ?
PLAT152_ALERT_1_G The Supplied and Calc. Volume s.u. Differ by ...          2 Units
PLAT154_ALERT_1_G The s.u.'s on the Cell Angles are Equal ..(Note)      0.003 Degree
PLAT432_ALERT_2_G Short Inter X...Y Contact  O4       ..C29              2.98 Ang.
                                                    1+x,y,z  =      1_655 Check
PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd.  #          4 Note
              H2 O
PLAT794_ALERT_5_G Tentative Bond Valency for Sb1       (III)     .       3.54 Info
PLAT794_ALERT_5_G Tentative Bond Valency for Sb2       (III)     .       3.47 Info
PLAT794_ALERT_5_G Tentative Bond Valency for Mn1       (II)      .       2.17 Info
PLAT794_ALERT_5_G Tentative Bond Valency for Mn2       (II)      .       2.20 Info
PLAT870_ALERT_4_G ALERTS Related to Twinning Effects Suppressed ..          ! Info
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600          5 Note
PLAT913_ALERT_3_G Missing # of Very Strong Reflections in FCF ....          3 Note
PLAT931_ALERT_5_G CIFcalcFCF  Twin Law ( 1-1 0)         Est.d BASF       0.35 Check
PLAT933_ALERT_2_G Number of OMIT Records in Embedded .res File ...         19 Note

   0 ALERT level A = Most likely a serious problem - resolve or explain
   1 ALERT level B = A potentially serious problem, consider carefully
  15 ALERT level C = Check. Ensure it is not caused by an omission or oversight
  17 ALERT level G = General information/check it is not something unexpected

   4 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
   5 ALERT type 3 Indicator that the structure quality may be low
   8 ALERT type 4 Improvement, methodology, query or suggestion
   7 ALERT type 5 Informative message, check

---

Computing details

Data collection: X-AREA (Stoe & Cie, 2008); cell refinement: X-AREA (Stoe & Cie, 2008); data reduction: X-AREA (Stoe & Cie, 2008); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2018 (Sheldrick, 2015); molecular graphics: DIAMOND (Brandenburg, 1999); software used to prepare material for publication: publCIF (Westrip, 2010).

catena-Poly[[bis[(2,2';6',2''-terpyridine)manganese(II)]-µ₄-pentathiodiantimonato] tetrahydrate]

Crystal data

[Mn2Sb2S5(C15H11N3)2]·4H2O	Z = 2
Mr = 1052.28	F(000) = 1032
Triclinic, P1	Dx = 1.915 Mg m^−3
a = 11.9227 (5) Å	Mo Kα radiation, λ = 0.71073 Å
b = 12.1592 (6) Å	Cell parameters from 12925 reflections
c = 14.9217 (7) Å	θ = 1.5–26.2°
α = 104.293 (3)°	µ = 2.47 mm^−1
β = 101.701 (3)°	T = 200 K
γ = 112.585 (3)°	Block, red
V = 1825.27 (15) Å^3	0.13 × 0.08 × 0.06 mm

Data collection

Stoe IPDS-2 diffractometer	5834 reflections with I > 2σ(I)
ω scans	θmax = 26.2°, θmin = 1.5°
Absorption correction: numerical (X-Red and X-Shape; Stoe & Cie, 2008)	h = −14→14
Tmin = 0.624, Tmax = 0.748	k = −14→14
7084 measured reflections	l = −9→18
7084 independent reflections

Refinement

Refinement on F^2	Hydrogen site location: mixed
Least-squares matrix: full	H-atom parameters constrained
R[F^2 > 2σ(F^2)] = 0.054	w = 1/[σ^2(Fo^2) + (0.1094P)^2 + 7.9201P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.182	(Δ/σ)max < 0.001
S = 1.07	Δρmax = 1.08 e Å^−3
7084 reflections	Δρmin = −0.98 e Å^−3
444 parameters	Extinction correction: SHELXL2018 (Sheldrick, 2015), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
0 restraints	Extinction coefficient: 0.0156 (14)

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. Refined as a two-component twin.

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

	x	y	z	Uiso*/Ueq
Sb1	0.37778 (6)	0.39853 (6)	0.56716 (4)	0.0362 (2)
Sb2	0.43666 (6)	0.42290 (5)	0.83131 (4)	0.0347 (2)
S1	0.5789 (2)	0.3987 (2)	0.63453 (17)	0.0391 (5)
S2	0.4300 (3)	0.6161 (2)	0.64977 (18)	0.0409 (5)
S3	0.2644 (2)	0.3063 (2)	0.67019 (19)	0.0410 (5)
S4	0.3019 (2)	0.4485 (2)	0.9261 (2)	0.0460 (6)
S5	0.4355 (2)	0.2315 (2)	0.84793 (19)	0.0428 (5)
Mn1	0.62903 (13)	0.32502 (12)	0.48902 (10)	0.0347 (3)
N1	0.8453 (8)	0.4535 (7)	0.5649 (6)	0.0404 (17)
N2	0.7276 (8)	0.2017 (7)	0.4772 (6)	0.0368 (16)
N3	0.4774 (7)	0.1195 (7)	0.4132 (6)	0.0364 (16)
C1	0.8982 (10)	0.5779 (9)	0.6095 (7)	0.043 (2)
H1	0.843905	0.618064	0.606305	0.052*
C2	1.0295 (11)	0.6544 (10)	0.6615 (9)	0.053 (3)
H2	1.063976	0.744043	0.692727	0.064*
C3	1.1084 (12)	0.5942 (11)	0.6657 (10)	0.057 (3)
H3	1.198416	0.642938	0.699585	0.068*
C4	1.0541 (10)	0.4624 (11)	0.6200 (9)	0.052 (3)
H4	1.105988	0.419606	0.623773	0.063*
C5	0.9220 (10)	0.3942 (9)	0.5685 (8)	0.041 (2)
C6	0.8559 (9)	0.2540 (9)	0.5134 (8)	0.041 (2)
C7	0.9208 (11)	0.1819 (10)	0.4992 (10)	0.054 (3)
H7	1.012020	0.220266	0.526538	0.065*
C8	0.8517 (12)	0.0550 (11)	0.4452 (9)	0.057 (3)
H8	0.895377	0.005087	0.432484	0.069*
C9	0.7186 (11)	−0.0023 (10)	0.4085 (8)	0.049 (2)
H9	0.669897	−0.091173	0.371658	0.059*
C10	0.6575 (9)	0.0760 (8)	0.4277 (7)	0.0361 (19)
C11	0.5173 (10)	0.0297 (8)	0.3953 (6)	0.0357 (18)
C12	0.4295 (11)	−0.1001 (9)	0.3504 (7)	0.044 (2)
H12	0.459932	−0.162278	0.340345	0.052*
C13	0.3003 (11)	−0.1376 (9)	0.3211 (7)	0.045 (2)
H13	0.240224	−0.225324	0.289009	0.054*
C14	0.2583 (11)	−0.0453 (10)	0.3390 (8)	0.050 (2)
H14	0.169008	−0.068183	0.320257	0.060*
C15	0.3504 (10)	0.0818 (9)	0.3851 (7)	0.043 (2)
H15	0.321825	0.145279	0.397316	0.052*
Mn2	0.37319 (16)	0.67226 (14)	1.01113 (11)	0.0413 (4)
N21	0.4598 (13)	0.7905 (9)	0.9250 (7)	0.062 (3)
N22	0.2544 (11)	0.7693 (9)	0.9747 (6)	0.054 (2)
N23	0.2195 (9)	0.6283 (8)	1.0844 (6)	0.0436 (18)
C21	0.5691 (16)	0.8057 (11)	0.9108 (9)	0.069 (4)
H21	0.608757	0.757593	0.931466	0.083*
C22	0.630 (2)	0.8900 (13)	0.8665 (10)	0.090 (6)
H22	0.709957	0.900042	0.858841	0.109*
C23	0.573 (3)	0.9559 (12)	0.8351 (10)	0.105 (8)
H23	0.611734	1.012190	0.803711	0.126*
C24	0.460 (2)	0.9413 (13)	0.8487 (9)	0.091 (7)
H24	0.417808	0.986953	0.826740	0.110*
C25	0.4057 (19)	0.8587 (11)	0.8951 (8)	0.074 (5)
C26	0.2881 (17)	0.8444 (11)	0.9202 (8)	0.070 (4)
C27	0.209 (3)	0.9006 (17)	0.8945 (10)	0.113 (9)
H27	0.228365	0.950793	0.854799	0.135*
C28	0.105 (3)	0.8844 (19)	0.9258 (12)	0.109 (8)
H28	0.054054	0.924278	0.908344	0.131*
C29	0.0757 (17)	0.8124 (17)	0.9811 (11)	0.086 (5)
H29	0.003705	0.800505	1.002708	0.103*
C30	0.1548 (13)	0.7546 (11)	1.0064 (9)	0.057 (3)
C31	0.1317 (10)	0.6736 (11)	1.0656 (8)	0.051 (3)
C32	0.0314 (12)	0.6440 (12)	1.0990 (10)	0.064 (3)
H32	−0.028291	0.676671	1.085717	0.076*
C33	0.0169 (11)	0.5651 (14)	1.1530 (10)	0.070 (4)
H33	−0.054269	0.542127	1.176270	0.085*
C34	0.1030 (12)	0.5205 (12)	1.1730 (9)	0.058 (3)
H34	0.094179	0.466582	1.210361	0.069*
C35	0.2051 (11)	0.5563 (12)	1.1371 (8)	0.051 (2)
H35	0.267249	0.526746	1.151685	0.061*
O1	0.7367 (10)	0.7040 (9)	0.7526 (8)	0.087 (3)
H1A	0.747033	0.638528	0.734270	0.131*
H1B	0.658273	0.681508	0.726219	0.131*
O2	0.9205 (14)	0.8717 (13)	0.6860 (10)	0.102 (4)
H2A	0.848835	0.842934	0.694566	0.153*
H2B	0.981845	0.944124	0.720865	0.153*
O3	1.1152 (14)	1.1177 (13)	0.8230 (13)	0.124 (5)
H3A	1.150095	1.194473	0.827743	0.186*
H3B	1.178715	1.104813	0.842072	0.186*
O4	0.8058 (16)	0.7512 (19)	0.9728 (15)	0.146 (7)
H4A	0.787124	0.738460	0.912575	0.219*
H4B	0.777494	0.698331	0.999835	0.219*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Sb1	0.0422 (4)	0.0341 (3)	0.0340 (3)	0.0206 (3)	0.0104 (3)	0.0116 (2)
Sb2	0.0375 (3)	0.0307 (3)	0.0394 (3)	0.0173 (2)	0.0150 (3)	0.0136 (2)
S1	0.0417 (12)	0.0417 (12)	0.0393 (12)	0.0262 (10)	0.0118 (10)	0.0127 (10)
S2	0.0495 (13)	0.0332 (11)	0.0444 (12)	0.0229 (10)	0.0145 (10)	0.0154 (9)
S3	0.0427 (12)	0.0335 (11)	0.0476 (13)	0.0167 (10)	0.0142 (10)	0.0179 (10)
S4	0.0438 (13)	0.0386 (12)	0.0571 (15)	0.0202 (10)	0.0247 (12)	0.0106 (11)
S5	0.0453 (13)	0.0337 (11)	0.0514 (13)	0.0215 (10)	0.0121 (11)	0.0160 (10)
Mn1	0.0358 (7)	0.0303 (7)	0.0394 (7)	0.0173 (6)	0.0120 (6)	0.0116 (6)
N1	0.034 (4)	0.033 (4)	0.048 (4)	0.014 (3)	0.010 (3)	0.012 (3)
N2	0.043 (4)	0.034 (4)	0.046 (4)	0.026 (3)	0.020 (4)	0.016 (3)
N3	0.035 (4)	0.028 (4)	0.039 (4)	0.012 (3)	0.009 (3)	0.008 (3)
C1	0.038 (5)	0.035 (5)	0.047 (5)	0.015 (4)	0.010 (4)	0.005 (4)
C2	0.043 (6)	0.038 (5)	0.062 (7)	0.008 (4)	0.014 (5)	0.011 (5)
C3	0.043 (6)	0.045 (6)	0.068 (7)	0.016 (5)	0.013 (5)	0.007 (5)
C4	0.035 (5)	0.048 (6)	0.064 (7)	0.017 (5)	0.011 (5)	0.013 (5)
C5	0.040 (5)	0.036 (5)	0.054 (6)	0.023 (4)	0.018 (4)	0.014 (4)
C6	0.036 (5)	0.034 (5)	0.054 (6)	0.020 (4)	0.014 (4)	0.009 (4)
C7	0.038 (5)	0.038 (5)	0.080 (8)	0.021 (4)	0.008 (5)	0.012 (5)
C8	0.055 (7)	0.039 (5)	0.066 (7)	0.028 (5)	0.006 (6)	0.003 (5)
C9	0.058 (6)	0.032 (5)	0.058 (6)	0.030 (5)	0.013 (5)	0.006 (4)
C10	0.040 (5)	0.026 (4)	0.044 (5)	0.020 (4)	0.011 (4)	0.009 (4)
C11	0.051 (5)	0.027 (4)	0.032 (4)	0.020 (4)	0.013 (4)	0.011 (3)
C12	0.061 (6)	0.032 (4)	0.037 (5)	0.020 (4)	0.013 (4)	0.014 (4)
C13	0.053 (6)	0.024 (4)	0.043 (5)	0.010 (4)	0.012 (4)	0.005 (4)
C14	0.040 (5)	0.045 (6)	0.052 (6)	0.014 (4)	0.010 (5)	0.008 (5)
C15	0.052 (6)	0.035 (5)	0.042 (5)	0.022 (4)	0.018 (4)	0.009 (4)
Mn2	0.0557 (9)	0.0386 (8)	0.0376 (7)	0.0287 (7)	0.0152 (7)	0.0150 (6)
N21	0.106 (9)	0.040 (5)	0.042 (5)	0.031 (5)	0.032 (5)	0.020 (4)
N22	0.070 (6)	0.048 (5)	0.038 (4)	0.038 (5)	−0.004 (4)	0.005 (4)
N23	0.050 (5)	0.046 (4)	0.043 (4)	0.032 (4)	0.014 (4)	0.013 (4)
C21	0.110 (11)	0.034 (5)	0.048 (6)	0.017 (6)	0.039 (7)	0.007 (5)
C22	0.142 (16)	0.051 (7)	0.051 (7)	0.011 (9)	0.050 (9)	0.015 (6)
C23	0.21 (2)	0.034 (6)	0.038 (7)	0.022 (10)	0.041 (11)	0.014 (5)
C24	0.19 (2)	0.040 (6)	0.034 (6)	0.042 (9)	0.030 (9)	0.012 (5)
C25	0.145 (14)	0.036 (6)	0.029 (5)	0.038 (7)	0.017 (7)	0.010 (4)
C26	0.127 (13)	0.045 (6)	0.034 (5)	0.049 (7)	0.001 (7)	0.009 (5)
C27	0.23 (3)	0.085 (11)	0.036 (6)	0.113 (15)	0.001 (10)	0.011 (7)
C28	0.19 (2)	0.106 (13)	0.061 (9)	0.122 (16)	0.006 (11)	0.017 (9)
C29	0.091 (11)	0.097 (11)	0.070 (9)	0.073 (10)	−0.006 (8)	0.007 (8)
C30	0.065 (7)	0.045 (6)	0.052 (6)	0.038 (6)	−0.006 (5)	−0.001 (5)
C31	0.040 (5)	0.055 (6)	0.048 (6)	0.032 (5)	0.001 (4)	−0.002 (5)
C32	0.040 (6)	0.052 (6)	0.077 (8)	0.020 (5)	0.001 (6)	0.007 (6)
C33	0.032 (6)	0.073 (8)	0.067 (8)	0.012 (5)	0.008 (5)	−0.013 (7)
C34	0.057 (7)	0.059 (7)	0.049 (6)	0.022 (6)	0.021 (5)	0.012 (5)
C35	0.044 (6)	0.066 (7)	0.043 (5)	0.027 (5)	0.015 (4)	0.018 (5)
O1	0.068 (6)	0.054 (5)	0.090 (7)	0.022 (5)	−0.012 (5)	−0.011 (5)
O2	0.109 (10)	0.092 (8)	0.107 (9)	0.055 (8)	0.033 (8)	0.026 (7)
O3	0.096 (10)	0.078 (8)	0.200 (16)	0.028 (7)	0.071 (10)	0.056 (9)
O4	0.109 (12)	0.157 (16)	0.190 (18)	0.066 (11)	0.034 (12)	0.096 (14)

Geometric parameters (Å, º)

Sb1—S2	2.391 (2)	C15—H15	0.9500
Sb1—S1	2.404 (2)	Mn2—N22	2.233 (9)
Sb1—S3	2.445 (2)	Mn2—N21	2.257 (9)
Sb2—S5	2.396 (2)	Mn2—N23	2.278 (9)
Sb2—S4	2.402 (2)	N21—C21	1.31 (2)
Sb2—S3	2.467 (3)	N21—C25	1.334 (18)
S1—Mn1	2.419 (3)	N22—C30	1.331 (17)
S2—Mn1^i	2.414 (3)	N22—C26	1.368 (17)
S4—Mn2	2.411 (3)	N23—C35	1.301 (14)
S5—Mn2^ii	2.405 (3)	N23—C31	1.371 (13)
Mn1—N2	2.228 (7)	C21—C22	1.405 (17)
Mn1—N3	2.258 (7)	C21—H21	0.9500
Mn1—N1	2.285 (8)	C22—C23	1.34 (3)
N1—C1	1.315 (13)	C22—H22	0.9500
N1—C5	1.366 (13)	C23—C24	1.36 (3)
N2—C6	1.336 (13)	C23—H23	0.9500
N2—C10	1.339 (12)	C24—C25	1.39 (2)
N3—C15	1.339 (13)	C24—H24	0.9500
N3—C11	1.341 (12)	C25—C26	1.48 (2)
C1—C2	1.397 (15)	C26—C27	1.40 (2)
C1—H1	0.9500	C27—C28	1.37 (3)
C2—C3	1.396 (17)	C27—H27	0.9500
C2—H2	0.9500	C28—C29	1.34 (3)
C3—C4	1.393 (16)	C28—H28	0.9500
C3—H3	0.9500	C29—C30	1.422 (17)
C4—C5	1.397 (15)	C29—H29	0.9500
C4—H4	0.9500	C30—C31	1.465 (18)
C5—C6	1.488 (13)	C31—C32	1.344 (18)
C6—C7	1.382 (14)	C32—C33	1.38 (2)
C7—C8	1.360 (15)	C32—H32	0.9500
C7—H7	0.9500	C33—C34	1.35 (2)
C8—C9	1.383 (17)	C33—H33	0.9500
C8—H8	0.9500	C34—C35	1.390 (16)
C9—C10	1.415 (13)	C34—H34	0.9500
C9—H9	0.9500	C35—H35	0.9500
C10—C11	1.469 (14)	O1—H1A	0.8400
C11—C12	1.400 (13)	O1—H1B	0.8401
C12—C13	1.364 (16)	O2—H2A	0.8400
C12—H12	0.9500	O2—H2B	0.8400
C13—C14	1.385 (16)	O3—H3A	0.8400
C13—H13	0.9500	O3—H3B	0.8400
C14—C15	1.390 (14)	O4—H4A	0.8399
C14—H14	0.9500	O4—H4B	0.8401
S2—Sb1—S1	100.84 (9)	N3—C15—C14	123.4 (10)
S2—Sb1—S3	97.77 (8)	N3—C15—H15	118.3
S1—Sb1—S3	98.41 (8)	C14—C15—H15	118.3
S5—Sb2—S4	99.08 (9)	N22—Mn2—N21	72.0 (4)
S5—Sb2—S3	93.00 (8)	N22—Mn2—N23	71.3 (4)
S4—Sb2—S3	96.64 (9)	N21—Mn2—N23	143.0 (4)
Sb1—S1—Mn1	102.22 (9)	N22—Mn2—S5^ii	123.9 (3)
Sb1—S2—Mn1^i	100.17 (10)	N21—Mn2—S5^ii	96.5 (3)
Sb1—S3—Sb2	100.47 (9)	N23—Mn2—S5^ii	100.3 (2)
Sb2—S4—Mn2	109.95 (10)	N22—Mn2—S4	122.1 (3)
Sb2—S5—Mn2^ii	98.38 (10)	N21—Mn2—S4	111.3 (3)
N2—Mn1—N3	71.6 (3)	N23—Mn2—S4	91.9 (2)
N2—Mn1—N1	71.9 (3)	S5^ii—Mn2—S4	113.34 (10)
N3—Mn1—N1	143.5 (3)	C21—N21—C25	117.5 (12)
N2—Mn1—S2^i	118.1 (2)	C21—N21—Mn2	122.8 (9)
N3—Mn1—S2^i	93.7 (2)	C25—N21—Mn2	119.3 (11)
N1—Mn1—S2^i	105.6 (2)	C30—N22—C26	121.8 (11)
N2—Mn1—S1	122.2 (2)	C30—N22—Mn2	120.2 (8)
N3—Mn1—S1	103.9 (2)	C26—N22—Mn2	118.0 (10)
N1—Mn1—S1	93.1 (2)	C35—N23—C31	118.4 (10)
S2^i—Mn1—S1	119.71 (10)	C35—N23—Mn2	124.1 (7)
C1—N1—C5	118.9 (9)	C31—N23—Mn2	117.3 (7)
C1—N1—Mn1	124.3 (7)	N21—C21—C22	122.8 (16)
C5—N1—Mn1	116.7 (6)	N21—C21—H21	118.6
C6—N2—C10	120.5 (8)	C22—C21—H21	118.6
C6—N2—Mn1	120.2 (6)	C23—C22—C21	119 (2)
C10—N2—Mn1	119.2 (6)	C23—C22—H22	120.5
C15—N3—C11	118.1 (8)	C21—C22—H22	120.5
C15—N3—Mn1	124.1 (6)	C22—C23—C24	119.1 (14)
C11—N3—Mn1	117.8 (6)	C22—C23—H23	120.5
N1—C1—C2	123.8 (10)	C24—C23—H23	120.5
N1—C1—H1	118.1	C23—C24—C25	119.3 (17)
C2—C1—H1	118.1	C23—C24—H24	120.4
C3—C2—C1	117.6 (10)	C25—C24—H24	120.4
C3—C2—H2	121.2	N21—C25—C24	122.3 (18)
C1—C2—H2	121.2	N21—C25—C26	114.6 (11)
C4—C3—C2	119.6 (11)	C24—C25—C26	123.1 (15)
C4—C3—H3	120.2	N22—C26—C27	117.3 (18)
C2—C3—H3	120.2	N22—C26—C25	116.1 (11)
C3—C4—C5	118.7 (11)	C27—C26—C25	126.6 (15)
C3—C4—H4	120.7	C28—C27—C26	121.2 (17)
C5—C4—H4	120.7	C28—C27—H27	119.4
N1—C5—C4	121.5 (9)	C26—C27—H27	119.4
N1—C5—C6	115.7 (9)	C29—C28—C27	120.4 (15)
C4—C5—C6	122.9 (9)	C29—C28—H28	119.8
N2—C6—C7	121.7 (9)	C27—C28—H28	119.8
N2—C6—C5	115.1 (8)	C28—C29—C30	118.4 (18)
C7—C6—C5	123.2 (9)	C28—C29—H29	120.8
C8—C7—C6	118.7 (10)	C30—C29—H29	120.8
C8—C7—H7	120.7	N22—C30—C29	120.8 (14)
C6—C7—H7	120.7	N22—C30—C31	115.7 (9)
C7—C8—C9	120.9 (10)	C29—C30—C31	123.4 (14)
C7—C8—H8	119.5	C32—C31—N23	121.6 (12)
C9—C8—H8	119.5	C32—C31—C30	123.1 (11)
C8—C9—C10	117.7 (9)	N23—C31—C30	115.3 (10)
C8—C9—H9	121.2	C31—C32—C33	118.7 (12)
C10—C9—H9	121.2	C31—C32—H32	120.6
N2—C10—C9	120.4 (9)	C33—C32—H32	120.6
N2—C10—C11	115.1 (8)	C34—C33—C32	120.5 (12)
C9—C10—C11	124.4 (9)	C34—C33—H33	119.8
N3—C11—C12	121.3 (10)	C32—C33—H33	119.8
N3—C11—C10	115.9 (8)	C33—C34—C35	117.7 (13)
C12—C11—C10	122.8 (9)	C33—C34—H34	121.2
C13—C12—C11	120.2 (10)	C35—C34—H34	121.2
C13—C12—H12	119.9	N23—C35—C34	123.1 (12)
C11—C12—H12	119.9	N23—C35—H35	118.5
C12—C13—C14	118.8 (9)	C34—C35—H35	118.5
C12—C13—H13	120.6	H1A—O1—H1B	106.5
C14—C13—H13	120.6	H2A—O2—H2B	123.6
C13—C14—C15	118.2 (10)	H3A—O3—H3B	102.7
C13—C14—H14	120.9	H4A—O4—H4B	127.9
C15—C14—H14	120.9

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

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1A···S1	0.84	2.63	3.239 (10)	131
O1—H1B···S2	0.84	2.44	3.283 (11)	180
O2—H2A···O1	0.84	2.20	2.897 (19)	140
O2—H2B···O3	0.84	2.04	2.87 (2)	170
O3—H3A···S4^iii	0.84	2.71	3.490 (14)	154
O3—H3B···S5^iii	0.84	2.82	3.427 (14)	131
O4—H4A···O1	0.84	2.23	3.07 (2)	180
O4—H4B···S4^ii	0.84	2.33	3.165 (17)	180
C4—H4···S3^iv	0.95	2.81	3.747 (12)	170
C7—H7···S3^iv	0.95	2.93	3.831 (12)	158
C9—H9···S3^v	0.95	2.97	3.690 (10)	134
C9—H9···S5^v	0.95	3.02	3.706 (11)	130
C12—H12···S1^v	0.95	2.86	3.657 (10)	142
C21—H21···O4	0.95	2.34	3.15 (2)	143
C24—H24···S5^vi	0.95	2.83	3.652 (15)	145
C29—H29···O4^vii	0.95	2.12	2.98 (3)	150
C32—H32···S4^viii	0.95	2.97	3.599 (13)	125

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