Hexakis(dimethyl sulfoxide)manganese(II) bis­(perchlorate)

Migdał-Mikuli, A.; Szostak, E.; Nitek, W.

doi:10.1107/S1600536806036026

Buy article online - an online subscription or single-article purchase is required to access this article.

Hexakis(dimethyl sulfoxide)manganese(II) bis(perchlorate)

A. Migdał-Mikuli, E. Szostak and W. Nitek

The title compound, [Mn(C₂H₆OS)₆](ClO₄)₂, comprises discrete [Mn(DMSO)₆]²⁺ cations (DMSO is dimethyl sulfoxide) and perchlorate anions, all of which lie on crystallographic twofold axes. The O atoms of six DMSO molecules are bonded to the Mn^II ion in a distorted octahedral geometry.

Read article Similar articles

Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806036026/ci2099sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536806036026/ci2099Isup2.hkl Contains datablock I

CCDC reference: 624163

checkCIF report

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (l-O) = 0.009 Å
Disorder in main residue
R factor = 0.044
wR factor = 0.116
Data-to-parameter ratio = 17.5

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT241_ALERT_2_B Check High      Ueq as Compared to Neighbors for         O3
PLAT241_ALERT_2_B Check High      Ueq as Compared to Neighbors for        C11
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for         Mn

Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        O1A
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C12
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        S1A
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         S2
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         S3
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        S1B
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        Cl2
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        Cl1
PLAT301_ALERT_3_C Main Residue  Disorder .........................      14.00 Perc.
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      29.00 Perc.
PLAT432_ALERT_2_C Short Inter X...Y Contact  O22    ..  C21     ..       2.92 Ang.
PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) .       1.25 Ratio
PLAT850_ALERT_2_C Check Flack Parameter Exact Value 0.00 and su ..       0.17

Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
            correct. If it is not, please give the correct count in the
            _publ_section_exptl_refinement section of the submitted CIF.
           From the CIF: _diffrn_reflns_theta_max           27.48
           From the CIF: _reflns_number_total               3532
           Count of symmetry unique reflns         1880
           Completeness (_total/calc)            187.87%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      1652
           Fraction of Friedel pairs measured     0.879
           Are heavy atom types Z>Si present        yes
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K

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

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  11 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
   5 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

Computing details top

Data collection: COLLECT (Nonius, 1998); cell refinement: SCALEPACK (Otwinowski & Minor, 1997); data reduction: DENZO (Otwinowski & Minor 1997) and SCALEPACK; program(s) used to solve structure: SIR92 (Altomare et al., 1993); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).

Hexakis(dimethyl sulfoxide)manganese(II) bis(perchlorate) top

Crystal data top

[Mn(C₂H₆OS)₆](ClO₄)₂	F(000) = 3000
M_r = 722.61	D_x = 1.508 Mg m⁻³
Orthorhombic, Fdd2	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: F 2 -2d	Cell parameters from 2009 reflections
a = 25.4415 (6) Å	θ = 1.0–27.5°
b = 12.4043 (3) Å	µ = 1.03 mm⁻¹
c = 20.1696 (5) Å	T = 293 K
V = 6365.2 (3) Å³	Prism, colourless
Z = 8	0.18 × 0.18 × 0.10 mm

Data collection top

Nonius KappaCCD diffractometer	2777 reflections with I > 2σ(I)
φ and ω scans	R_int = 0.06
Absorption correction: multi-scan (DENZO and SCALEPACK; Otwinowski & Minor, 1997)	θ_max = 27.5°, θ_min = 1.6°
T_min = 0.837, T_max = 0.904	h = −32→32
3664 measured reflections	k = −16→16
3532 independent reflections	l = −25→26

Refinement top

Refinement on F²	w = 1/[σ²(F_o²) + (0.0588P)² + 7.9989P] where P = (F_o² + 2F_c²)/3
Least-squares matrix: full	(Δ/σ)_max = 0.001
R[F² > 2σ(F²)] = 0.044	Δρ_max = 0.35 e Å⁻³
wR(F²) = 0.116	Δρ_min = −0.28 e Å⁻³
S = 1.03	Extinction correction: SHELXL97, Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
3532 reflections	Extinction coefficient: 0.00036 (8)
202 parameters	Absolute structure: Flack (1983), 1655 Friedel pairs
14 restraints	Absolute structure parameter: 0.00 (17)
H-atom parameters constrained

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.

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

	x	y	z	U_iso*/U_eq	Occ. (<1)
Mn	0	0	0.99995 (3)	0.04027 (19)
S1A	0.08479 (7)	0.07440 (15)	1.12465 (10)	0.0675 (7)	0.639 (4)
O1A	0.0468 (4)	0.0919 (8)	1.0689 (6)	0.079 (3)	0.639 (4)
S1B	0.08203 (12)	0.1541 (3)	1.09248 (15)	0.0597 (11)	0.361 (4)
O1B	0.0383 (8)	0.0577 (13)	1.0877 (9)	0.063 (3)	0.361 (4)
C11	0.1456 (2)	0.0969 (7)	1.0897 (4)	0.108 (2)
H11A	0.1537	0.0396	1.0594	0.163*	0.639 (4)
H11B	0.1718	0.0992	1.124	0.163*	0.639 (4)
H11C	0.1453	0.1643	1.0664	0.163*	0.639 (4)
H11D	0.1601	0.1625	1.1071	0.163*	0.361 (4)
H11E	0.142	0.1029	1.0425	0.163*	0.361 (4)
H11F	0.1685	0.0378	1.1001	0.163*	0.361 (4)
C12	0.0782 (2)	0.1858 (5)	1.1769 (3)	0.0841 (16)
H12A	0.045	0.1822	1.1995	0.126*	0.639 (4)
H12B	0.0798	0.2508	1.1511	0.126*	0.639 (4)
H12C	0.1062	0.1858	1.2088	0.126*	0.639 (4)
H12D	0.109	0.2303	1.1734	0.126*	0.361 (4)
H12E	0.0742	0.1617	1.2218	0.126*	0.361 (4)
H12F	0.0478	0.2267	1.1641	0.126*	0.361 (4)
O2	−0.05341 (11)	0.1375 (2)	1.00102 (17)	0.0632 (8)
S2	−0.04336 (4)	0.23726 (8)	1.04303 (6)	0.0561 (3)
C21	−0.0801 (3)	0.2165 (6)	1.1166 (3)	0.0914 (17)
H21A	−0.1147	0.1916	1.1054	0.137*
H21B	−0.0826	0.2831	1.1406	0.137*
H21C	−0.0628	0.1636	1.1436	0.137*
C22	−0.0825 (2)	0.3391 (4)	1.0054 (3)	0.0828 (15)
H22A	−0.0668	0.3604	0.9641	0.124*
H22B	−0.0845	0.4004	1.0344	0.124*
H22C	−0.1172	0.3116	0.9975	0.124*
O3	−0.04934 (14)	−0.0774 (3)	0.9263 (2)	0.0972 (14)
S3	−0.03765 (4)	−0.18174 (11)	0.89162 (7)	0.0752 (4)
C31	−0.0755 (3)	−0.2799 (6)	0.9306 (3)	0.101 (2)
H31A	−0.0625	−0.2916	0.9747	0.151*
H31B	−0.0735	−0.346	0.9059	0.151*
H31C	−0.1114	−0.2564	0.9327	0.151*
C32	−0.0753 (3)	−0.1754 (6)	0.8166 (3)	0.112 (2)
H32A	−0.1116	−0.1625	0.8272	0.168*
H32B	−0.0722	−0.2424	0.7932	0.168*
H32C	−0.0624	−0.1178	0.7893	0.168*
Cl1	0.25	0.75	1.06365 (10)	0.0769 (5)
O11	0.2828 (2)	0.8142 (5)	1.0247 (4)	0.160 (3)
O12	0.2813 (3)	0.6848 (9)	1.0998 (6)	0.241 (6)
Cl2	0.25	0.25	0.91013 (14)	0.0876 (6)
O21	0.2241 (5)	0.1985 (13)	0.8528 (6)	0.172 (6)	0.5
O22	0.2236 (8)	0.3448 (10)	0.9203 (7)	0.160 (6)	0.5
O23	0.2323 (8)	0.1770 (13)	0.9640 (7)	0.218 (9)	0.5
O24	0.3004 (3)	0.2488 (18)	0.9039 (10)	0.263 (15)	0.5

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Mn	0.0336 (3)	0.0410 (4)	0.0461 (4)	−0.0024 (3)	0	0
S1A	0.0661 (11)	0.0622 (12)	0.0741 (13)	0.0055 (8)	−0.0258 (9)	−0.0071 (9)
O1A	0.078 (5)	0.065 (6)	0.095 (8)	−0.009 (4)	−0.048 (5)	−0.011 (4)
S1B	0.0599 (17)	0.061 (2)	0.0584 (19)	−0.0044 (13)	−0.0152 (13)	0.0035 (14)
O1B	0.068 (7)	0.059 (9)	0.063 (8)	−0.020 (6)	−0.021 (5)	0.004 (6)
C11	0.077 (4)	0.152 (6)	0.096 (5)	0.018 (4)	−0.010 (3)	−0.034 (4)
C12	0.071 (3)	0.103 (4)	0.078 (3)	−0.005 (3)	−0.009 (3)	−0.030 (3)
O2	0.0564 (15)	0.0599 (16)	0.0732 (19)	0.0178 (13)	−0.0158 (14)	−0.0232 (15)
S2	0.0474 (5)	0.0533 (5)	0.0677 (7)	0.0047 (4)	−0.0021 (4)	−0.0122 (5)
C21	0.108 (4)	0.085 (4)	0.081 (4)	0.010 (3)	0.015 (3)	−0.011 (3)
C22	0.089 (3)	0.062 (3)	0.097 (4)	0.021 (2)	−0.008 (3)	−0.004 (3)
O3	0.079 (2)	0.085 (3)	0.128 (3)	0.0185 (19)	−0.046 (2)	−0.061 (2)
S3	0.0537 (6)	0.0741 (8)	0.0979 (10)	−0.0078 (5)	−0.0001 (6)	−0.0356 (7)
C31	0.103 (5)	0.110 (5)	0.089 (4)	−0.022 (4)	0.008 (3)	−0.020 (4)
C32	0.147 (6)	0.112 (5)	0.077 (4)	−0.042 (5)	−0.014 (4)	−0.020 (4)
Cl1	0.0537 (8)	0.0861 (11)	0.0910 (14)	−0.0116 (8)	0	0
O11	0.130 (5)	0.164 (6)	0.187 (7)	−0.061 (4)	0.039 (4)	0.017 (5)
O12	0.164 (6)	0.293 (12)	0.265 (12)	0.016 (7)	−0.076 (7)	0.156 (10)
Cl2	0.0803 (11)	0.0665 (10)	0.1161 (16)	0.0181 (8)	0	0
O21	0.128 (11)	0.245 (18)	0.144 (11)	0.017 (11)	−0.035 (9)	−0.059 (11)
O22	0.191 (15)	0.114 (9)	0.174 (13)	0.063 (10)	0.038 (12)	−0.018 (9)
O23	0.24 (2)	0.184 (16)	0.23 (2)	−0.081 (15)	−0.017 (16)	0.118 (14)
O24	0.055 (6)	0.28 (3)	0.46 (4)	0.008 (9)	−0.002 (12)	−0.15 (3)

Geometric parameters (Å, º) top

Mn—O1B	2.144 (18)	C22—H22A	0.96
Mn—O1Bⁱ	2.144 (18)	C22—H22B	0.96
Mn—O1A	2.157 (10)	C22—H22C	0.96
Mn—O1Aⁱ	2.157 (10)	O3—S3	1.501 (4)
Mn—O3	2.169 (3)	S3—C31	1.741 (7)
Mn—O3ⁱ	2.169 (3)	S3—C32	1.793 (7)
Mn—O2ⁱ	2.181 (3)	C31—H31A	0.96
Mn—O2	2.181 (3)	C31—H31B	0.96
S1A—O1A	1.498 (10)	C31—H31C	0.96
S1A—C11	1.723 (7)	C32—H32A	0.96
S1A—C12	1.746 (6)	C32—H32B	0.96
S1B—O1B	1.636 (14)	C32—H32C	0.96
S1B—C12	1.750 (6)	Cl1—O12	1.350 (6)
S1B—C11	1.767 (7)	Cl1—O12ⁱⁱ	1.350 (6)
C11—H11A	0.96	Cl1—O11ⁱⁱ	1.395 (5)
C11—H11B	0.96	Cl1—O11	1.395 (5)
C11—H11C	0.96	Cl2—O24	1.289 (8)
C11—H11D	0.96	Cl2—O24ⁱⁱⁱ	1.289 (8)
C11—H11E	0.96	Cl2—O22ⁱⁱⁱ	1.369 (8)
C11—H11F	0.96	Cl2—O22	1.369 (8)
C12—H12A	0.96	Cl2—O21ⁱⁱⁱ	1.477 (9)
C12—H12B	0.96	Cl2—O21	1.477 (9)
C12—H12C	0.96	Cl2—O23ⁱⁱⁱ	1.485 (9)
C12—H12D	0.96	Cl2—O23	1.485 (9)
C12—H12E	0.96	O21—O24ⁱⁱⁱ	1.37 (2)
C12—H12F	0.96	O22—O24ⁱⁱⁱ	1.353 (17)
O2—S2	1.521 (3)	O22—O23ⁱⁱⁱ	1.45 (2)
S2—C21	1.771 (6)	O23—O22ⁱⁱⁱ	1.45 (2)
S2—C22	1.778 (5)	O23—O24ⁱⁱⁱ	1.73 (2)
C21—H21A	0.96	O24—O22ⁱⁱⁱ	1.353 (17)
C21—H21B	0.96	O24—O21ⁱⁱⁱ	1.37 (2)
C21—H21C	0.96	O24—O23ⁱⁱⁱ	1.73 (2)

O1B—Mn—O1Bⁱ	68.7 (7)	H12B—C12—H12F	56.3
O1Bⁱ—Mn—O1A	84.0 (5)	H12C—C12—H12F	141.1
O1B—Mn—O1Aⁱ	84.0 (5)	H12D—C12—H12F	109.5
O1A—Mn—O1Aⁱ	99.7 (6)	H12E—C12—H12F	109.5
O1B—Mn—O3	167.5 (4)	S2—O2—Mn	122.48 (16)
O1Bⁱ—Mn—O3	98.9 (4)	O2—S2—C21	105.0 (3)
O1A—Mn—O3	174.3 (3)	O2—S2—C22	104.3 (2)
O1Aⁱ—Mn—O3	83.6 (3)	C21—S2—C22	99.5 (3)
O1B—Mn—O3ⁱ	98.9 (4)	S2—C21—H21A	109.5
O1Bⁱ—Mn—O3ⁱ	167.5 (4)	S2—C21—H21B	109.5
O1A—Mn—O3ⁱ	83.6 (3)	H21A—C21—H21B	109.5
O1Aⁱ—Mn—O3ⁱ	174.3 (3)	S2—C21—H21C	109.5
O3—Mn—O3ⁱ	93.5 (3)	H21A—C21—H21C	109.5
O1B—Mn—O2ⁱ	88.3 (6)	H21B—C21—H21C	109.5
O1Bⁱ—Mn—O2ⁱ	90.8 (6)	S2—C22—H22A	109.5
O1A—Mn—O2ⁱ	93.6 (3)	S2—C22—H22B	109.5
O1Aⁱ—Mn—O2ⁱ	85.7 (3)	H22A—C22—H22B	109.5
O3—Mn—O2ⁱ	91.21 (13)	S2—C22—H22C	109.5
O3ⁱ—Mn—O2ⁱ	89.57 (12)	H22A—C22—H22C	109.5
O1B—Mn—O2	90.8 (6)	H22B—C22—H22C	109.5
O1Bⁱ—Mn—O2	88.3 (6)	S3—O3—Mn	125.9 (2)
O1A—Mn—O2	85.7 (3)	O3—S3—C31	106.5 (3)
O1Aⁱ—Mn—O2	93.6 (3)	O3—S3—C32	104.4 (3)
O3—Mn—O2	89.57 (12)	C31—S3—C32	96.7 (3)
O3ⁱ—Mn—O2	91.21 (13)	S3—C31—H31A	109.5
O2ⁱ—Mn—O2	178.86 (18)	S3—C31—H31B	109.5
O1A—S1A—C11	104.4 (5)	H31A—C31—H31B	109.5
O1A—S1A—C12	106.0 (5)	S3—C31—H31C	109.5
C11—S1A—C12	101.8 (3)	H31A—C31—H31C	109.5
S1A—O1A—Mn	139.7 (6)	H31B—C31—H31C	109.5
O1B—S1B—C12	100.6 (7)	S3—C32—H32A	109.5
O1B—S1B—C11	109.1 (8)	S3—C32—H32B	109.5
C12—S1B—C11	99.9 (3)	H32A—C32—H32B	109.5
S1B—O1B—Mn	127.0 (8)	S3—C32—H32C	109.5
S1A—C11—H11A	109.5	H32A—C32—H32C	109.5
S1B—C11—H11A	120.9	H32B—C32—H32C	109.5
S1A—C11—H11B	109.5	O12—Cl1—O12ⁱⁱ	114.6 (12)
S1B—C11—H11B	126.9	O12—Cl1—O11ⁱⁱ	108.4 (6)
H11A—C11—H11B	109.5	O12ⁱⁱ—Cl1—O11ⁱⁱ	107.1 (5)
S1A—C11—H11C	109.5	O12—Cl1—O11	107.1 (5)
S1B—C11—H11C	69.9	O12ⁱⁱ—Cl1—O11	108.4 (6)
H11A—C11—H11C	109.5	O11ⁱⁱ—Cl1—O11	111.4 (7)
H11B—C11—H11C	109.5	O24—Cl2—O24ⁱⁱⁱ	168.8 (18)
S1A—C11—H11D	109.5	O24—Cl2—O22ⁱⁱⁱ	61.1 (7)
S1B—C11—H11D	90	O24ⁱⁱⁱ—Cl2—O22ⁱⁱⁱ	120.8 (7)
H11A—C11—H11D	141.1	O24—Cl2—O22	120.8 (7)
H11B—C11—H11D	56.3	O24ⁱⁱⁱ—Cl2—O22	61.1 (7)
H11C—C11—H11D	56.3	O22ⁱⁱⁱ—Cl2—O22	162.7 (12)
S1A—C11—H11E	109.5	O24—Cl2—O21ⁱⁱⁱ	58.9 (11)
S1B—C11—H11E	85	O24ⁱⁱⁱ—Cl2—O21ⁱⁱⁱ	111.3 (8)
H11A—C11—H11E	56.3	O22ⁱⁱⁱ—Cl2—O21ⁱⁱⁱ	105.7 (7)
H11B—C11—H11E	141.1	O22—Cl2—O21ⁱⁱⁱ	88.0 (9)
H11C—C11—H11E	56.3	O24—Cl2—O21	111.3 (8)
H11D—C11—H11E	109.5	O24ⁱⁱⁱ—Cl2—O21	58.9 (11)
S1A—C11—H11F	109.5	O22ⁱⁱⁱ—Cl2—O21	88.0 (9)
S1B—C11—H11F	148.9	O22—Cl2—O21	105.7 (7)
H11A—C11—H11F	56.3	O21ⁱⁱⁱ—Cl2—O21	76.9 (14)
H11B—C11—H11F	56.3	O24—Cl2—O23ⁱⁱⁱ	77.1 (10)
H11C—C11—H11F	141.1	O24ⁱⁱⁱ—Cl2—O23ⁱⁱⁱ	111.5 (8)
H11D—C11—H11F	109.5	O22ⁱⁱⁱ—Cl2—O23ⁱⁱⁱ	105.4 (7)
H11E—C11—H11F	109.5	O22—Cl2—O23ⁱⁱⁱ	61.0 (9)
S1A—C12—H12A	109.5	O21ⁱⁱⁱ—Cl2—O23ⁱⁱⁱ	100.0 (6)
S1B—C12—H12A	120	O21—Cl2—O23ⁱⁱⁱ	166.6 (10)
S1A—C12—H12B	109.5	O24—Cl2—O23	111.5 (8)
S1B—C12—H12B	70.1	O24ⁱⁱⁱ—Cl2—O23	77.1 (10)
H12A—C12—H12B	109.5	O22ⁱⁱⁱ—Cl2—O23	61.0 (9)
S1A—C12—H12C	109.5	O22—Cl2—O23	105.4 (7)
S1B—C12—H12C	127.7	O21ⁱⁱⁱ—Cl2—O23	166.6 (10)
H12A—C12—H12C	109.5	O21—Cl2—O23	100.0 (6)
H12B—C12—H12C	109.5	O23ⁱⁱⁱ—Cl2—O23	85.9 (14)
S1A—C12—H12D	109.5	O24ⁱⁱⁱ—O21—Cl2	53.7 (5)
S1B—C12—H12D	90.8	O24ⁱⁱⁱ—O22—Cl2	56.5 (6)
H12A—C12—H12D	141.1	O24ⁱⁱⁱ—O22—O23ⁱⁱⁱ	109.8 (12)
H12B—C12—H12D	56.3	Cl2—O22—O23ⁱⁱⁱ	63.4 (7)
H12C—C12—H12D	56.3	O22ⁱⁱⁱ—O23—Cl2	55.5 (5)
S1A—C12—H12E	109.5	O22ⁱⁱⁱ—O23—O24ⁱⁱⁱ	92.5 (8)
S1B—C12—H12E	148.7	Cl2—O23—O24ⁱⁱⁱ	46.4 (5)
H12A—C12—H12E	56.3	Cl2—O24—O22ⁱⁱⁱ	62.4 (6)
H12B—C12—H12E	141.1	Cl2—O24—O21ⁱⁱⁱ	67.4 (9)
H12C—C12—H12E	56.3	O22ⁱⁱⁱ—O24—O21ⁱⁱⁱ	112.8 (13)
H12D—C12—H12E	109.5	Cl2—O24—O23ⁱⁱⁱ	56.6 (8)
S1A—C12—H12F	109.5	O22ⁱⁱⁱ—O24—O23ⁱⁱⁱ	93.9 (11)
S1B—C12—H12F	84.4	O21ⁱⁱⁱ—O24—O23ⁱⁱⁱ	93.2 (9)
H12A—C12—H12F	56.3

C11—S1A—O1A—Mn	101.9 (11)	O23—Cl2—O21—O24ⁱⁱⁱ	68.2 (11)
C12—S1A—O1A—Mn	−151.1 (10)	O24—Cl2—O22—O24ⁱⁱⁱ	167 (2)
O1B—Mn—O1A—S1A	43 (2)	O22ⁱⁱⁱ—Cl2—O22—O24ⁱⁱⁱ	−101.3 (10)
O1Bⁱ—Mn—O1A—S1A	62.6 (15)	O21ⁱⁱⁱ—Cl2—O22—O24ⁱⁱⁱ	115.7 (11)
O1Aⁱ—Mn—O1A—S1A	58.4 (10)	O21—Cl2—O22—O24ⁱⁱⁱ	39.9 (13)
O2ⁱ—Mn—O1A—S1A	−27.8 (11)	O23ⁱⁱⁱ—Cl2—O22—O24ⁱⁱⁱ	−141.7 (14)
O2—Mn—O1A—S1A	151.3 (12)	O23—Cl2—O22—O24ⁱⁱⁱ	−65.4 (12)
C12—S1B—O1B—Mn	161.1 (12)	O24—Cl2—O22—O23ⁱⁱⁱ	−51.1 (16)
C11—S1B—O1B—Mn	−94.5 (13)	O24ⁱⁱⁱ—Cl2—O22—O23ⁱⁱⁱ	141.7 (14)
O1Bⁱ—Mn—O1B—S1B	−167 (2)	O22ⁱⁱⁱ—Cl2—O22—O23ⁱⁱⁱ	40.3 (9)
O1A—Mn—O1B—S1B	−7.1 (17)	O21ⁱⁱⁱ—Cl2—O22—O23ⁱⁱⁱ	−102.6 (8)
O1Aⁱ—Mn—O1B—S1B	−172.2 (12)	O21—Cl2—O22—O23ⁱⁱⁱ	−178.4 (13)
O3—Mn—O1B—S1B	−170.2 (13)	O23—Cl2—O22—O23ⁱⁱⁱ	76.3 (15)
O3ⁱ—Mn—O1B—S1B	12.7 (14)	O24—Cl2—O23—O22ⁱⁱⁱ	−35.7 (12)
O2ⁱ—Mn—O1B—S1B	102.0 (14)	O24ⁱⁱⁱ—Cl2—O23—O22ⁱⁱⁱ	136.7 (12)
O2—Mn—O1B—S1B	−78.7 (14)	O22—Cl2—O23—O22ⁱⁱⁱ	−168.5 (9)
O1A—S1A—C11—S1B	45.5 (5)	O21ⁱⁱⁱ—Cl2—O23—O22ⁱⁱⁱ	7 (5)
C12—S1A—C11—S1B	−64.7 (3)	O21—Cl2—O23—O22ⁱⁱⁱ	82.0 (10)
O1B—S1B—C11—S1A	−41.2 (7)	O23ⁱⁱⁱ—Cl2—O23—O22ⁱⁱⁱ	−110.1 (9)
C12—S1B—C11—S1A	63.7 (3)	O24—Cl2—O23—O24ⁱⁱⁱ	−172.4 (12)
O1A—S1A—C12—S1B	−42.9 (5)	O22ⁱⁱⁱ—Cl2—O23—O24ⁱⁱⁱ	−136.7 (12)
C11—S1A—C12—S1B	66.0 (3)	O22—Cl2—O23—O24ⁱⁱⁱ	54.8 (9)
O1B—S1B—C12—S1A	49.5 (7)	O21ⁱⁱⁱ—Cl2—O23—O24ⁱⁱⁱ	−130 (5)
C11—S1B—C12—S1A	−62.3 (3)	O21—Cl2—O23—O24ⁱⁱⁱ	−54.7 (10)
O1B—Mn—O2—S2	14.8 (4)	O23ⁱⁱⁱ—Cl2—O23—O24ⁱⁱⁱ	113.2 (8)
O1Bⁱ—Mn—O2—S2	83.5 (4)	O24ⁱⁱⁱ—Cl2—O24—O22ⁱⁱⁱ	−103.1 (8)
O1A—Mn—O2—S2	−0.6 (4)	O22—Cl2—O24—O22ⁱⁱⁱ	160.2 (14)
O1Aⁱ—Mn—O2—S2	98.9 (4)	O21ⁱⁱⁱ—Cl2—O24—O22ⁱⁱⁱ	−133.8 (12)
O3—Mn—O2—S2	−177.6 (3)	O21—Cl2—O24—O22ⁱⁱⁱ	−75.1 (13)
O3ⁱ—Mn—O2—S2	−84.1 (3)	O23ⁱⁱⁱ—Cl2—O24—O22ⁱⁱⁱ	115.9 (9)
Mn—O2—S2—C21	−95.9 (3)	O23—Cl2—O24—O22ⁱⁱⁱ	35.7 (14)
Mn—O2—S2—C22	159.9 (3)	O24ⁱⁱⁱ—Cl2—O24—O21ⁱⁱⁱ	30.7 (9)
O1B—Mn—O3—S3	−93 (3)	O22ⁱⁱⁱ—Cl2—O24—O21ⁱⁱⁱ	133.8 (12)
O1Bⁱ—Mn—O3—S3	−96.9 (7)	O22—Cl2—O24—O21ⁱⁱⁱ	−66.0 (15)
O3ⁱ—Mn—O3—S3	83.7 (4)	O21—Cl2—O24—O21ⁱⁱⁱ	58.8 (17)
O2ⁱ—Mn—O3—S3	−5.9 (4)	O23ⁱⁱⁱ—Cl2—O24—O21ⁱⁱⁱ	−110.3 (9)
O2—Mn—O3—S3	174.9 (4)	O23—Cl2—O24—O21ⁱⁱⁱ	169.5 (14)
Mn—O3—S3—C31	101.5 (4)	O24ⁱⁱⁱ—Cl2—O24—O23ⁱⁱⁱ	141.0 (7)
Mn—O3—S3—C32	−156.9 (4)	O22ⁱⁱⁱ—Cl2—O24—O23ⁱⁱⁱ	−115.9 (9)
O24—Cl2—O21—O24ⁱⁱⁱ	−173.9 (10)	O22—Cl2—O24—O23ⁱⁱⁱ	44.3 (13)
O22ⁱⁱⁱ—Cl2—O21—O24ⁱⁱⁱ	128.3 (11)	O21ⁱⁱⁱ—Cl2—O24—O23ⁱⁱⁱ	110.3 (9)
O22—Cl2—O21—O24ⁱⁱⁱ	−41.0 (11)	O21—Cl2—O24—O23ⁱⁱⁱ	169.0 (13)
O21ⁱⁱⁱ—Cl2—O21—O24ⁱⁱⁱ	−125.1 (12)	O23—Cl2—O24—O23ⁱⁱⁱ	−80.2 (16)
O23ⁱⁱⁱ—Cl2—O21—O24ⁱⁱⁱ	−47 (5)

Symmetry codes: (i) −x, −y, z; (ii) −x+1/2, −y+3/2, z; (iii) −x+1/2, −y+1/2, z.

Subscribe to Acta Crystallographica Section E: Crystallographic Communications

Buy online

You may purchase this article in PDF and/or HTML formats. For purchasers in the European Community who do not have a VAT number, VAT will be added at the local rate. Payments to the IUCr are handled by WorldPay, who will accept payment by credit card in several currencies. To purchase the article, please complete the form below (fields marked * are required), and then click on `Continue'.

E-mail address*
Repeat e-mail address* (for error checking)

Format*	PDF (US $40)
	HTML (US $40)
	PDF+HTML (US $50)
In order for VAT to be shown for your country javascript needs to be enabled.

VAT number (non-UK EC countries only)
Country*

Terms and conditions of use
Contact us

Format		BIBTeX
		EndNote
		RefMan
		Refer
		Medline
		CIF
		SGML
		Text
		Plain Text

Format		BIBTeX
		EndNote
		RefMan
		Refer
		Medline
		CIF
		SGML
		Text
		Plain Text

Search IUCr Journals		doi		Advanced search
Author		volume	page