Tris(1,10-phenanthroline-κN,N′)manganese(II) bis(perchlorate) chloro­form disolvate

In the title compound, [Mn(C₁₂H₈N₆)₃](ClO₄)₂·2CHCl₃, the Mn^II ion is chelated by three 1,10-phenanthroline molecules in a twisted octahedral coordination geometry. In the crystal structure, there are intermolecular π–π interactions between adjacent phenanthroline rings.

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean [sigma](C-C) = 0.008 Å
• R factor = 0.073
• wR factor = 0.205
• Data-to-parameter ratio = 14.4

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.98
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT199_ALERT_1_C Check the Reported cell_measurement_temperature         293
PLAT200_ALERT_1_C Check the Reported cell_ambient_temperature ....        293
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        Cl1
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        C37
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        C38
PLAT333_ALERT_2_C Large Average Benzene C-C Dist.  C4     -C12           1.43 Ang.
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          8
PLAT431_ALERT_2_C Short Inter HL..A Contact  Cl5    ..  O1      ..       3.22 Ang.
PLAT731_ALERT_1_C Bond    Calc   1.298(19), Rep    1.298(9) ......       2.11 su-Rat
              CL2  -O5      1.555   1.555
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          5
              C H Cl3

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

   5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   5 ALERT type 4 Improvement, methodology, query or suggestion

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Computing details

Data collection: PROCESS-AUTO (Rigaku, 1998); cell refinement: PROCESS-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXL97; software used to prepare material for publication: SHELXL97.

Tris(1,10-phenanthroline-κN,N')manganese(II) bis(perchlorate) chloroform disolvate

Crystal data

[Mn(C12H8N6)3](ClO4)2·2CHCl3	Z = 2
Mr = 1033.19	F(000) = 1042
Triclinic, P1	Dx = 1.581 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 12.642 (3) Å	Cell parameters from 3351 reflections
b = 12.987 (3) Å	θ = 6.7–54.2°
c = 14.501 (3) Å	µ = 0.86 mm^−1
α = 86.15 (3)°	T = 293 K
β = 75.77 (3)°	Block, yellow
γ = 70.17 (3)°	0.28 × 0.28 × 0.26 mm
V = 2170.4 (9) Å^3

Data collection

Rigaku R-AXIS RAPID diffractometer	7909 independent reflections
Radiation source: fine-focus sealed tube	4953 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.037
Detector resolution: 10.000 pixels mm^-1	θmax = 25.5°, θmin = 3.0°
ω scans	h = −15→15
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	k = −15→15
Tmin = 0.796, Tmax = 0.808	l = −17→17
13078 measured reflections

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)] = 0.073	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.205	H-atom parameters constrained
S = 1.01	w = 1/[σ^2(Fo^2) + (0.1288P)^2] where P = (Fo^2 + 2Fc^2)/3
7909 reflections	(Δ/σ)max < 0.001
550 parameters	Δρmax = 0.67 e Å^−3
0 restraints	Δρmin = −0.64 e Å^−3

Special details

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 (Ų)

	x	y	z	Uiso*/Ueq
Mn1	0.24828 (5)	0.20515 (5)	0.30334 (5)	0.0432 (2)
N1	0.2658 (3)	0.3612 (3)	0.3531 (3)	0.0505 (9)
N2	0.2070 (3)	0.3320 (3)	0.1889 (3)	0.0471 (8)
N3	0.0579 (3)	0.2207 (3)	0.3627 (3)	0.0506 (9)
N4	0.2355 (3)	0.1301 (3)	0.4504 (3)	0.0493 (9)
N5	0.2811 (3)	0.0589 (3)	0.2072 (2)	0.0447 (8)
N6	0.4435 (3)	0.1330 (3)	0.2441 (3)	0.0478 (8)
Cl1	0.06576 (10)	0.81618 (10)	−0.07520 (9)	0.0604 (3)
Cl2	0.51571 (12)	0.21880 (14)	0.60616 (14)	0.0854 (5)
Cl3	0.86066 (18)	0.52813 (17)	0.22161 (17)	0.1116 (6)
Cl4	0.93560 (18)	0.62497 (19)	0.35903 (13)	0.1098 (6)
Cl5	0.89644 (15)	0.73729 (14)	0.18217 (13)	0.0959 (5)
Cl6	0.4695 (3)	0.6045 (2)	−0.0971 (2)	0.1495 (9)
Cl7	0.4265 (3)	0.4076 (2)	−0.1406 (3)	0.1689 (12)
Cl8	0.41337 (18)	0.5815 (2)	−0.27807 (18)	0.1222 (7)
C1	0.2957 (4)	0.3758 (4)	0.4325 (4)	0.0617 (12)
H1A	0.3071	0.3188	0.4754	0.074*
C2	0.3108 (5)	0.4741 (6)	0.4540 (4)	0.0790 (17)
H2A	0.3297	0.4816	0.5107	0.095*
C3	0.2976 (5)	0.5569 (5)	0.3914 (5)	0.0738 (15)
H3A	0.3098	0.6208	0.4039	0.089*
C4	0.2650 (4)	0.5461 (4)	0.3060 (4)	0.0625 (13)
C5	0.2461 (5)	0.6316 (4)	0.2360 (5)	0.0753 (16)
H5A	0.2566	0.6971	0.2461	0.090*
C6	0.2135 (5)	0.6189 (4)	0.1562 (5)	0.0759 (16)
H6A	0.2021	0.6753	0.1127	0.091*
C7	0.1963 (4)	0.5176 (4)	0.1383 (4)	0.0599 (12)
C8	0.1602 (4)	0.5003 (5)	0.0565 (4)	0.0667 (13)
H8A	0.1445	0.5555	0.0125	0.080*
C9	0.1489 (5)	0.4009 (5)	0.0437 (4)	0.0681 (14)
H9A	0.1245	0.3888	−0.0089	0.082*
C10	0.1740 (4)	0.3189 (4)	0.1092 (3)	0.0569 (12)
H10A	0.1679	0.2516	0.0981	0.068*
C11	0.2170 (3)	0.4306 (4)	0.2035 (3)	0.0489 (10)
C12	0.2500 (3)	0.4460 (4)	0.2899 (3)	0.0483 (10)
C13	−0.0271 (4)	0.2620 (5)	0.3189 (4)	0.0655 (13)
H13A	−0.0122	0.2943	0.2600	0.079*
C14	−0.1398 (4)	0.2589 (5)	0.3584 (4)	0.0750 (16)
H14A	−0.1973	0.2874	0.3251	0.090*
C15	−0.1643 (4)	0.2134 (5)	0.4461 (4)	0.0675 (14)
H15A	−0.2385	0.2116	0.4724	0.081*
C16	−0.0772 (4)	0.1699 (4)	0.4958 (4)	0.0569 (12)
C17	−0.0945 (5)	0.1211 (5)	0.5898 (4)	0.0687 (14)
H17A	−0.1674	0.1181	0.6195	0.082*
C18	−0.0090 (5)	0.0810 (5)	0.6340 (4)	0.0723 (15)
H18A	−0.0237	0.0522	0.6944	0.087*
C19	0.1066 (4)	0.0814 (4)	0.5899 (3)	0.0561 (11)
C20	0.1987 (5)	0.0395 (5)	0.6336 (4)	0.0718 (14)
H20A	0.1877	0.0099	0.6940	0.086*
C21	0.3045 (5)	0.0424 (5)	0.5872 (4)	0.0735 (15)
H21A	0.3666	0.0145	0.6156	0.088*
C22	0.3209 (4)	0.0878 (5)	0.4954 (4)	0.0653 (13)
H22A	0.3946	0.0882	0.4649	0.078*
C23	0.1276 (4)	0.1276 (3)	0.4969 (3)	0.0470 (10)
C24	0.0354 (4)	0.1743 (4)	0.4505 (3)	0.0492 (10)
C25	0.2005 (4)	0.0229 (4)	0.1857 (3)	0.0530 (11)
H25A	0.1229	0.0610	0.2119	0.064*
C26	0.2266 (5)	−0.0672 (4)	0.1272 (4)	0.0650 (13)
H26A	0.1677	−0.0879	0.1149	0.078*
C27	0.3404 (5)	−0.1253 (4)	0.0877 (4)	0.0659 (13)
H27A	0.3592	−0.1865	0.0493	0.079*
C28	0.4289 (4)	−0.0920 (4)	0.1053 (3)	0.0549 (11)
C29	0.5486 (5)	−0.1424 (4)	0.0628 (4)	0.0688 (14)
H29A	0.5720	−0.2039	0.0236	0.083*
C30	0.6309 (5)	−0.1021 (5)	0.0783 (4)	0.0684 (14)
H30A	0.7086	−0.1364	0.0492	0.082*
C31	0.5982 (4)	−0.0083 (4)	0.1385 (3)	0.0541 (11)
C32	0.6785 (4)	0.0397 (4)	0.1527 (4)	0.0613 (13)
H32A	0.7564	0.0105	0.1223	0.074*
C33	0.6399 (4)	0.1299 (5)	0.2121 (4)	0.0629 (13)
H33A	0.6922	0.1617	0.2218	0.075*
C34	0.5239 (4)	0.1739 (4)	0.2574 (4)	0.0568 (12)
H34A	0.5004	0.2337	0.2985	0.068*
C35	0.4799 (3)	0.0434 (4)	0.1847 (3)	0.0449 (10)
C36	0.3934 (4)	0.0026 (3)	0.1666 (3)	0.0447 (9)
C37	0.8497 (5)	0.6525 (5)	0.2745 (5)	0.0816 (17)
H37A	0.7687	0.6902	0.3064	0.098*
C38	0.3914 (7)	0.5466 (7)	−0.1567 (7)	0.121 (3)
H38A	0.3087	0.5801	−0.1274	0.146*
O1	−0.0511 (4)	0.8438 (5)	−0.0238 (4)	0.1211 (18)
O2	0.1432 (5)	0.8149 (5)	−0.0192 (4)	0.133 (2)
O3	0.0979 (5)	0.7057 (4)	−0.1124 (4)	0.1088 (16)
O4	0.0749 (4)	0.8882 (4)	−0.1540 (3)	0.0842 (12)
O5	0.4562 (15)	0.1597 (17)	0.6529 (10)	0.337 (10)
O6	0.4280 (11)	0.3121 (14)	0.6263 (9)	0.302 (8)
O7	0.5457 (6)	0.2088 (10)	0.5049 (6)	0.209 (4)
O8	0.6060 (5)	0.2082 (8)	0.6438 (5)	0.171 (3)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Mn1	0.0406 (3)	0.0427 (4)	0.0464 (4)	−0.0163 (3)	−0.0060 (3)	−0.0026 (3)
N1	0.054 (2)	0.047 (2)	0.048 (2)	−0.0163 (16)	−0.0063 (17)	−0.0079 (18)
N2	0.0457 (19)	0.049 (2)	0.047 (2)	−0.0175 (16)	−0.0081 (15)	−0.0025 (17)
N3	0.0434 (19)	0.059 (2)	0.046 (2)	−0.0143 (16)	−0.0063 (16)	−0.0063 (18)
N4	0.048 (2)	0.052 (2)	0.049 (2)	−0.0206 (16)	−0.0098 (16)	0.0042 (17)
N5	0.0456 (18)	0.044 (2)	0.0474 (19)	−0.0201 (15)	−0.0080 (15)	−0.0019 (16)
N6	0.0462 (19)	0.048 (2)	0.051 (2)	−0.0198 (16)	−0.0081 (16)	0.0012 (17)
Cl1	0.0616 (7)	0.0670 (8)	0.0638 (7)	−0.0316 (6)	−0.0224 (6)	0.0070 (6)
Cl2	0.0522 (7)	0.0924 (11)	0.1138 (13)	−0.0297 (7)	−0.0122 (8)	−0.0116 (9)
Cl3	0.1213 (14)	0.0987 (13)	0.1261 (16)	−0.0524 (11)	−0.0266 (12)	0.0005 (12)
Cl4	0.1116 (13)	0.1317 (17)	0.0785 (11)	−0.0334 (12)	−0.0192 (10)	0.0012 (11)
Cl5	0.0974 (11)	0.0802 (11)	0.0964 (12)	−0.0211 (9)	−0.0114 (9)	0.0052 (9)
Cl6	0.164 (2)	0.129 (2)	0.134 (2)	−0.0160 (16)	−0.0431 (17)	−0.0002 (16)
Cl7	0.148 (2)	0.1082 (18)	0.239 (4)	−0.0399 (15)	−0.038 (2)	0.035 (2)
Cl8	0.1016 (13)	0.1234 (17)	0.1420 (19)	−0.0376 (12)	−0.0291 (13)	0.0012 (14)
C1	0.066 (3)	0.065 (3)	0.055 (3)	−0.024 (2)	−0.013 (2)	−0.009 (2)
C2	0.086 (4)	0.089 (4)	0.069 (3)	−0.034 (3)	−0.017 (3)	−0.023 (3)
C3	0.082 (4)	0.052 (3)	0.089 (4)	−0.027 (3)	−0.012 (3)	−0.017 (3)
C4	0.058 (3)	0.049 (3)	0.080 (4)	−0.024 (2)	−0.004 (2)	−0.014 (3)
C5	0.084 (4)	0.044 (3)	0.101 (5)	−0.026 (3)	−0.019 (3)	0.003 (3)
C6	0.072 (3)	0.050 (3)	0.097 (5)	−0.022 (3)	−0.006 (3)	0.015 (3)
C7	0.045 (2)	0.055 (3)	0.067 (3)	−0.010 (2)	−0.001 (2)	0.007 (2)
C8	0.065 (3)	0.068 (3)	0.059 (3)	−0.018 (3)	−0.010 (2)	0.012 (3)
C9	0.069 (3)	0.087 (4)	0.047 (3)	−0.022 (3)	−0.015 (2)	0.001 (3)
C10	0.059 (3)	0.058 (3)	0.052 (3)	−0.021 (2)	−0.007 (2)	−0.001 (2)
C11	0.041 (2)	0.048 (3)	0.052 (3)	−0.0139 (18)	0.0006 (18)	−0.002 (2)
C12	0.045 (2)	0.043 (2)	0.053 (3)	−0.0126 (18)	−0.0051 (19)	−0.007 (2)
C13	0.048 (3)	0.082 (4)	0.062 (3)	−0.016 (2)	−0.011 (2)	−0.001 (3)
C14	0.047 (3)	0.098 (4)	0.080 (4)	−0.019 (3)	−0.021 (3)	−0.010 (3)
C15	0.044 (3)	0.084 (4)	0.073 (4)	−0.028 (2)	0.002 (2)	−0.017 (3)
C16	0.046 (2)	0.057 (3)	0.066 (3)	−0.023 (2)	0.004 (2)	−0.016 (2)
C17	0.055 (3)	0.072 (3)	0.074 (3)	−0.030 (3)	0.008 (3)	−0.006 (3)
C18	0.075 (4)	0.076 (4)	0.060 (3)	−0.034 (3)	0.007 (3)	0.003 (3)
C19	0.064 (3)	0.053 (3)	0.052 (3)	−0.029 (2)	−0.004 (2)	0.005 (2)
C20	0.088 (4)	0.080 (4)	0.050 (3)	−0.035 (3)	−0.016 (3)	0.020 (3)
C21	0.073 (4)	0.083 (4)	0.068 (3)	−0.024 (3)	−0.029 (3)	0.012 (3)
C22	0.053 (3)	0.079 (4)	0.061 (3)	−0.020 (2)	−0.014 (2)	0.012 (3)
C23	0.049 (2)	0.043 (2)	0.050 (2)	−0.0207 (18)	−0.0043 (19)	−0.005 (2)
C24	0.048 (2)	0.047 (2)	0.050 (3)	−0.0172 (19)	−0.0018 (19)	−0.015 (2)
C25	0.056 (3)	0.052 (3)	0.058 (3)	−0.028 (2)	−0.012 (2)	0.000 (2)
C26	0.084 (4)	0.058 (3)	0.070 (3)	−0.044 (3)	−0.021 (3)	0.000 (3)
C27	0.089 (4)	0.049 (3)	0.064 (3)	−0.029 (3)	−0.016 (3)	−0.006 (2)
C28	0.074 (3)	0.042 (2)	0.048 (2)	−0.020 (2)	−0.013 (2)	0.002 (2)
C29	0.077 (3)	0.045 (3)	0.062 (3)	0.001 (2)	−0.003 (3)	−0.015 (2)
C30	0.058 (3)	0.067 (3)	0.059 (3)	−0.003 (2)	−0.001 (2)	−0.004 (3)
C31	0.047 (2)	0.056 (3)	0.047 (2)	−0.006 (2)	−0.0069 (19)	0.007 (2)
C32	0.036 (2)	0.073 (3)	0.065 (3)	−0.009 (2)	−0.007 (2)	0.002 (3)
C33	0.041 (2)	0.079 (4)	0.072 (3)	−0.024 (2)	−0.012 (2)	0.004 (3)
C34	0.049 (2)	0.060 (3)	0.065 (3)	−0.022 (2)	−0.012 (2)	−0.002 (2)
C35	0.042 (2)	0.046 (2)	0.040 (2)	−0.0087 (17)	−0.0075 (17)	0.0045 (19)
C36	0.053 (2)	0.037 (2)	0.042 (2)	−0.0152 (18)	−0.0093 (19)	0.0054 (18)
C37	0.061 (3)	0.081 (4)	0.088 (4)	−0.013 (3)	−0.002 (3)	−0.007 (3)
C38	0.088 (5)	0.110 (6)	0.151 (8)	−0.029 (4)	−0.011 (5)	0.017 (6)
O1	0.089 (3)	0.137 (5)	0.122 (4)	−0.046 (3)	0.010 (3)	0.017 (3)
O2	0.175 (5)	0.159 (5)	0.138 (5)	−0.106 (4)	−0.110 (4)	0.043 (4)
O3	0.167 (5)	0.071 (3)	0.105 (3)	−0.036 (3)	−0.066 (3)	0.005 (3)
O4	0.084 (3)	0.094 (3)	0.085 (3)	−0.042 (2)	−0.028 (2)	0.030 (2)
O5	0.389 (18)	0.54 (3)	0.284 (14)	−0.40 (2)	−0.130 (13)	0.132 (16)
O6	0.227 (10)	0.341 (17)	0.208 (11)	0.095 (12)	−0.071 (9)	−0.056 (11)
O7	0.112 (5)	0.347 (13)	0.128 (6)	−0.026 (6)	−0.029 (4)	0.002 (7)
O8	0.077 (3)	0.297 (10)	0.148 (5)	−0.070 (5)	−0.037 (3)	0.018 (6)

Geometric parameters (Å, º)

Mn1—N1	2.292 (4)	C8—H8A	0.9300
Mn1—N2	2.284 (4)	C9—C10	1.387 (7)
Mn1—N3	2.291 (3)	C9—H9A	0.9300
Mn1—N4	2.277 (4)	C10—H10A	0.9300
Mn1—N5	2.293 (3)	C11—C12	1.460 (6)
Mn1—N6	2.282 (3)	C13—C14	1.412 (7)
N1—C1	1.341 (6)	C13—H13A	0.9300
N1—C12	1.376 (6)	C14—C15	1.375 (8)
N2—C10	1.361 (6)	C14—H14A	0.9300
N2—C11	1.364 (6)	C15—C16	1.402 (7)
N3—C13	1.322 (6)	C15—H15A	0.9300
N3—C24	1.378 (6)	C16—C24	1.432 (6)
N4—C22	1.337 (6)	C16—C17	1.462 (8)
N4—C23	1.375 (5)	C17—C18	1.328 (8)
N5—C36	1.356 (5)	C17—H17A	0.9300
N5—C25	1.361 (5)	C18—C19	1.445 (7)
N6—C34	1.352 (5)	C18—H18A	0.9300
N6—C35	1.372 (5)	C19—C20	1.394 (7)
Cl1—O2	1.413 (4)	C19—C23	1.440 (7)
Cl1—O1	1.415 (5)	C20—C21	1.353 (7)
Cl1—O4	1.434 (4)	C20—H20A	0.9300
Cl1—O3	1.455 (5)	C21—C22	1.415 (8)
Cl2—O5	1.298 (9)	C21—H21A	0.9300
Cl2—O6	1.326 (11)	C22—H22A	0.9300
Cl2—O8	1.345 (6)	C23—C24	1.425 (6)
Cl2—O7	1.427 (8)	C25—C26	1.390 (7)
Cl3—C37	1.782 (7)	C25—H25A	0.9300
Cl4—C37	1.773 (7)	C26—C27	1.372 (7)
Cl5—C37	1.791 (7)	C26—H26A	0.9300
Cl6—C38	1.815 (10)	C27—C28	1.409 (7)
Cl7—C38	1.721 (9)	C27—H27A	0.9300
Cl8—C38	1.766 (10)	C28—C29	1.422 (7)
C1—C2	1.419 (8)	C28—C36	1.441 (6)
C1—H1A	0.9300	C29—C30	1.382 (8)
C2—C3	1.353 (9)	C29—H29A	0.9300
C2—H2A	0.9300	C30—C31	1.428 (7)
C3—C4	1.426 (8)	C30—H30A	0.9300
C3—H3A	0.9300	C31—C32	1.418 (7)
C4—C12	1.419 (6)	C31—C35	1.422 (6)
C4—C5	1.453 (8)	C32—C33	1.376 (7)
C5—C6	1.357 (9)	C32—H32A	0.9300
C5—H5A	0.9300	C33—C34	1.385 (7)
C6—C7	1.454 (8)	C33—H33A	0.9300
C6—H6A	0.9300	C34—H34A	0.9300
C7—C11	1.420 (7)	C35—C36	1.448 (6)
C7—C8	1.427 (8)	C37—H37A	0.9800
C8—C9	1.375 (8)	C38—H38A	0.9800
N1—Mn1—N5	158.9 (1)	C14—C13—H13A	118.9
N2—Mn1—N1	73.8 (1)	C15—C14—C13	119.9 (5)
N2—Mn1—N3	93.0 (1)	C15—C14—H14A	120.0
N2—Mn1—N5	94.4 (1)	C13—C14—H14A	120.0
N3—Mn1—N1	105.4 (1)	C14—C15—C16	119.9 (4)
N3—Mn1—N5	92.4 (1)	C14—C15—H15A	120.1
N4—Mn1—N1	93.6 (1)	C16—C15—H15A	120.1
N4—Mn1—N2	158.6 (1)	C15—C16—C24	117.0 (5)
N4—Mn1—N3	73.4 (1)	C15—C16—C17	124.2 (4)
N4—Mn1—N5	102.5 (1)	C24—C16—C17	118.8 (5)
N4—Mn1—N6	99.2 (1)	C18—C17—C16	121.9 (5)
N6—Mn1—N1	91.3 (1)	C18—C17—H17A	119.0
N6—Mn1—N2	98.3 (1)	C16—C17—H17A	119.0
N6—Mn1—N3	162.0 (1)	C17—C18—C19	121.2 (5)
N6—Mn1—N5	72.8 (1)	C17—C18—H18A	119.4
C1—N1—C12	117.8 (4)	C19—C18—H18A	119.4
C1—N1—Mn1	127.4 (3)	C20—C19—C23	118.4 (4)
C12—N1—Mn1	114.7 (3)	C20—C19—C18	122.9 (5)
C10—N2—C11	117.8 (4)	C23—C19—C18	118.7 (5)
C10—N2—Mn1	126.8 (3)	C21—C20—C19	119.2 (5)
C11—N2—Mn1	115.4 (3)	C21—C20—H20A	120.4
C13—N3—C24	118.9 (4)	C19—C20—H20A	120.4
C13—N3—Mn1	126.6 (3)	C20—C21—C22	120.2 (5)
C24—N3—Mn1	114.3 (3)	C20—C21—H21A	119.9
C22—N4—C23	117.2 (4)	C22—C21—H21A	119.9
C22—N4—Mn1	127.3 (3)	N4—C22—C21	123.2 (5)
C23—N4—Mn1	115.6 (3)	N4—C22—H22A	118.4
C36—N5—C25	116.4 (4)	C21—C22—H22A	118.4
C36—N5—Mn1	116.3 (3)	N4—C23—C24	117.7 (4)
C25—N5—Mn1	127.3 (3)	N4—C23—C19	121.8 (4)
C34—N6—C35	118.1 (4)	C24—C23—C19	120.4 (4)
C34—N6—Mn1	126.3 (3)	N3—C24—C23	118.9 (4)
C35—N6—Mn1	115.5 (3)	N3—C24—C16	122.2 (4)
O2—Cl1—O1	114.0 (4)	C23—C24—C16	119.0 (4)
O2—Cl1—O4	110.8 (3)	N5—C25—C26	124.3 (4)
O1—Cl1—O4	109.8 (3)	N5—C25—H25A	117.8
O2—Cl1—O3	107.6 (4)	C26—C25—H25A	117.8
O1—Cl1—O3	105.9 (4)	C27—C26—C25	119.1 (4)
O4—Cl1—O3	108.4 (3)	C27—C26—H26A	120.4
O5—Cl2—O6	93.9 (11)	C25—C26—H26A	120.4
O5—Cl2—O8	109.8 (8)	C26—C27—C28	119.9 (5)
O6—Cl2—O8	115.8 (8)	C26—C27—H27A	120.0
O5—Cl2—O7	117.0 (9)	C28—C27—H27A	120.0
O6—Cl2—O7	105.2 (7)	C27—C28—C29	124.0 (5)
O8—Cl2—O7	113.7 (4)	C27—C28—C36	116.9 (4)
N1—C1—C2	123.0 (5)	C29—C28—C36	119.0 (4)
N1—C1—H1A	118.5	C30—C29—C28	121.4 (5)
C2—C1—H1A	118.5	C30—C29—H29A	119.3
C3—C2—C1	119.5 (5)	C28—C29—H29A	119.3
C3—C2—H2A	120.3	C29—C30—C31	120.8 (5)
C1—C2—H2A	120.3	C29—C30—H30A	119.6
C2—C3—C4	119.9 (5)	C31—C30—H30A	119.6
C2—C3—H3A	120.1	C32—C31—C35	117.1 (4)
C4—C3—H3A	120.1	C32—C31—C30	122.9 (4)
C12—C4—C3	117.4 (5)	C35—C31—C30	119.9 (4)
C12—C4—C5	118.9 (5)	C33—C32—C31	119.3 (4)
C3—C4—C5	123.7 (5)	C33—C32—H32A	120.3
C6—C5—C4	122.0 (5)	C31—C32—H32A	120.3
C6—C5—H5A	119.0	C32—C33—C34	120.6 (4)
C4—C5—H5A	119.0	C32—C33—H33A	119.7
C5—C6—C7	120.4 (5)	C34—C33—H33A	119.7
C5—C6—H6A	119.8	N6—C34—C33	122.3 (5)
C7—C6—H6A	119.8	N6—C34—H34A	118.8
C11—C7—C8	117.6 (5)	C33—C34—H34A	118.8
C11—C7—C6	119.5 (5)	N6—C35—C31	122.5 (4)
C8—C7—C6	122.8 (5)	N6—C35—C36	118.2 (4)
C9—C8—C7	119.1 (5)	C31—C35—C36	119.2 (4)
C9—C8—H8A	120.4	N5—C36—C28	123.3 (4)
C7—C8—H8A	120.4	N5—C36—C35	117.1 (4)
C8—C9—C10	119.9 (5)	C28—C36—C35	119.6 (4)
C8—C9—H9A	120.1	Cl4—C37—Cl3	110.4 (4)
C10—C9—H9A	120.1	Cl4—C37—Cl5	110.6 (3)
N2—C10—C9	123.1 (5)	Cl3—C37—Cl5	108.5 (3)
N2—C10—H10A	118.4	Cl4—C37—H37A	109.1
C9—C10—H10A	118.4	Cl3—C37—H37A	109.1
N2—C11—C7	122.4 (4)	Cl5—C37—H37A	109.1
N2—C11—C12	118.0 (4)	Cl7—C38—Cl8	112.5 (6)
C7—C11—C12	119.6 (4)	Cl7—C38—Cl6	111.6 (5)
N1—C12—C4	122.4 (4)	Cl8—C38—Cl6	110.4 (4)
N1—C12—C11	118.0 (4)	Cl7—C38—H38A	107.4
C4—C12—C11	119.6 (4)	Cl8—C38—H38A	107.4
N3—C13—C14	122.1 (5)	Cl6—C38—H38A	107.4
N3—C13—H13A	118.9
N4—Mn1—N1—C1	18.4 (4)	Mn1—N1—C12—C4	−175.8 (3)
N6—Mn1—N1—C1	−80.9 (4)	C1—N1—C12—C11	−179.8 (4)
N2—Mn1—N1—C1	−179.1 (4)	Mn1—N1—C12—C11	4.0 (4)
N3—Mn1—N1—C1	92.2 (4)	C3—C4—C12—N1	0.0 (7)
N5—Mn1—N1—C1	−121.4 (4)	C5—C4—C12—N1	−179.7 (4)
N4—Mn1—N1—C12	−165.8 (3)	C3—C4—C12—C11	−179.8 (4)
N6—Mn1—N1—C12	94.9 (3)	C5—C4—C12—C11	0.4 (6)
N2—Mn1—N1—C12	−3.4 (3)	N2—C11—C12—N1	−1.9 (5)
N3—Mn1—N1—C12	−92.1 (3)	C7—C11—C12—N1	178.0 (4)
N5—Mn1—N1—C12	54.3 (5)	N2—C11—C12—C4	177.9 (4)
N4—Mn1—N2—C10	−121.9 (4)	C7—C11—C12—C4	−2.2 (6)
N6—Mn1—N2—C10	93.5 (3)	C24—N3—C13—C14	−0.9 (7)
N3—Mn1—N2—C10	−72.4 (3)	Mn1—N3—C13—C14	174.1 (4)
N1—Mn1—N2—C10	−177.5 (4)	N3—C13—C14—C15	1.2 (9)
N5—Mn1—N2—C10	20.2 (3)	C13—C14—C15—C16	−0.3 (8)
N4—Mn1—N2—C11	58.1 (5)	C14—C15—C16—C24	−0.8 (7)
N6—Mn1—N2—C11	−86.5 (3)	C14—C15—C16—C17	179.2 (5)
N3—Mn1—N2—C11	107.6 (3)	C15—C16—C17—C18	−180.0 (5)
N1—Mn1—N2—C11	2.4 (3)	C24—C16—C17—C18	0.0 (8)
N5—Mn1—N2—C11	−159.8 (3)	C16—C17—C18—C19	−1.5 (9)
N4—Mn1—N3—C13	−178.1 (4)	C17—C18—C19—C20	−179.6 (5)
N6—Mn1—N3—C13	−110.1 (5)	C17—C18—C19—C23	0.7 (8)
N2—Mn1—N3—C13	18.7 (4)	C23—C19—C20—C21	−0.7 (8)
N1—Mn1—N3—C13	92.7 (4)	C18—C19—C20—C21	179.6 (5)
N5—Mn1—N3—C13	−75.7 (4)	C19—C20—C21—C22	0.2 (9)
N4—Mn1—N3—C24	−2.8 (3)	C23—N4—C22—C21	−0.5 (7)
N6—Mn1—N3—C24	65.1 (5)	Mn1—N4—C22—C21	−179.8 (4)
N2—Mn1—N3—C24	−166.0 (3)	C20—C21—C22—N4	0.5 (9)
N1—Mn1—N3—C24	−92.0 (3)	C22—N4—C23—C24	178.8 (4)
N5—Mn1—N3—C24	99.5 (3)	Mn1—N4—C23—C24	−1.8 (5)
N6—Mn1—N4—C22	18.6 (4)	C22—N4—C23—C19	−0.1 (6)
N2—Mn1—N4—C22	−125.9 (4)	Mn1—N4—C23—C19	179.2 (3)
N3—Mn1—N4—C22	−178.3 (4)	C20—C19—C23—N4	0.7 (7)
N1—Mn1—N4—C22	−73.3 (4)	C18—C19—C23—N4	−179.6 (4)
N5—Mn1—N4—C22	92.9 (4)	C20—C19—C23—C24	−178.2 (4)
N6—Mn1—N4—C23	−160.6 (3)	C18—C19—C23—C24	1.5 (7)
N2—Mn1—N4—C23	54.9 (5)	C13—N3—C24—C23	178.7 (4)
N3—Mn1—N4—C23	2.5 (3)	Mn1—N3—C24—C23	3.0 (5)
N1—Mn1—N4—C23	107.5 (3)	C13—N3—C24—C16	−0.3 (6)
N5—Mn1—N4—C23	−86.3 (3)	Mn1—N3—C24—C16	−175.9 (3)
N4—Mn1—N5—C36	−94.3 (3)	N4—C23—C24—N3	−0.8 (6)
N6—Mn1—N5—C36	1.6 (3)	C19—C23—C24—N3	178.1 (4)
N2—Mn1—N5—C36	98.9 (3)	N4—C23—C24—C16	178.1 (4)
N3—Mn1—N5—C36	−167.8 (3)	C19—C23—C24—C16	−2.9 (6)
N1—Mn1—N5—C36	44.4 (5)	C15—C16—C24—N3	1.1 (6)
N4—Mn1—N5—C25	86.3 (4)	C17—C16—C24—N3	−178.9 (4)
N6—Mn1—N5—C25	−177.8 (4)	C15—C16—C24—C23	−177.8 (4)
N2—Mn1—N5—C25	−80.5 (4)	C17—C16—C24—C23	2.2 (6)
N3—Mn1—N5—C25	12.7 (4)	C36—N5—C25—C26	1.1 (7)
N1—Mn1—N5—C25	−135.0 (4)	Mn1—N5—C25—C26	−179.5 (4)
N4—Mn1—N6—C34	−84.3 (4)	N5—C25—C26—C27	0.2 (8)
N2—Mn1—N6—C34	83.4 (4)	C25—C26—C27—C28	−1.2 (8)
N3—Mn1—N6—C34	−148.4 (4)	C26—C27—C28—C29	−175.8 (5)
N1—Mn1—N6—C34	9.6 (4)	C26—C27—C28—C36	0.9 (7)
N5—Mn1—N6—C34	175.4 (4)	C27—C28—C29—C30	176.0 (5)
N4—Mn1—N6—C35	100.0 (3)	C36—C28—C29—C30	−0.6 (8)
N2—Mn1—N6—C35	−92.3 (3)	C28—C29—C30—C31	0.5 (8)
N3—Mn1—N6—C35	35.9 (6)	C29—C30—C31—C32	−176.6 (5)
N1—Mn1—N6—C35	−166.1 (3)	C29—C30—C31—C35	1.2 (8)
N5—Mn1—N6—C35	−0.3 (3)	C35—C31—C32—C33	2.3 (7)
C12—N1—C1—C2	0.4 (7)	C30—C31—C32—C33	−179.9 (5)
Mn1—N1—C1—C2	176.1 (4)	C31—C32—C33—C34	−0.2 (8)
N1—C1—C2—C3	−1.7 (8)	C35—N6—C34—C33	1.3 (7)
C1—C2—C3—C4	2.1 (8)	Mn1—N6—C34—C33	−174.4 (4)
C2—C3—C4—C12	−1.3 (8)	C32—C33—C34—N6	−1.7 (8)
C2—C3—C4—C5	178.5 (5)	C34—N6—C35—C31	1.1 (6)
C12—C4—C5—C6	0.7 (8)	Mn1—N6—C35—C31	177.2 (3)
C3—C4—C5—C6	−179.1 (5)	C34—N6—C35—C36	−177.0 (4)
C4—C5—C6—C7	0.0 (8)	Mn1—N6—C35—C36	−1.0 (5)
C5—C6—C7—C11	−1.8 (7)	C32—C31—C35—N6	−2.8 (6)
C5—C6—C7—C8	178.9 (5)	C30—C31—C35—N6	179.3 (4)
C11—C7—C8—C9	−1.0 (7)	C32—C31—C35—C36	175.3 (4)
C6—C7—C8—C9	178.3 (5)	C30—C31—C35—C36	−2.6 (6)
C7—C8—C9—C10	−0.8 (7)	C25—N5—C36—C28	−1.3 (6)
C11—N2—C10—C9	−0.9 (6)	Mn1—N5—C36—C28	179.2 (3)
Mn1—N2—C10—C9	179.1 (3)	C25—N5—C36—C35	176.8 (4)
C8—C9—C10—N2	1.9 (7)	Mn1—N5—C36—C35	−2.7 (5)
C10—N2—C11—C7	−1.1 (6)	C27—C28—C36—N5	0.3 (7)
Mn1—N2—C11—C7	178.9 (3)	C29—C28—C36—N5	177.2 (4)
C10—N2—C11—C12	178.7 (4)	C27—C28—C36—C35	−177.7 (4)
Mn1—N2—C11—C12	−1.3 (4)	C29—C28—C36—C35	−0.8 (6)
C8—C7—C11—N2	2.1 (6)	N6—C35—C36—N5	2.5 (6)
C6—C7—C11—N2	−177.3 (4)	C31—C35—C36—N5	−175.7 (4)
C8—C7—C11—C12	−177.8 (4)	N6—C35—C36—C28	−179.4 (4)
C6—C7—C11—C12	2.9 (6)	C31—C35—C36—C28	2.4 (6)
C1—N1—C12—C4	0.4 (6)