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metal-organic compounds
Manganese(II) terephthalate crystallizes from N,N-dimethylformamide under solvothermal conditions as a DMF adduct, [Mn3(C8H4O4)3(C3H7NO)2]; the compound is formally bis(N,N-dimethylformamide)tri-μ5,μ5,μ4-terephthalato-trimanganese, which adopts a polymeric three-dimensional network structure. One of the tetraanions lies on a general position and binds to five Mn atoms, with one carboxyl group functioning as a μ2-bridge and the other as a μ3-bridge. The other lies on an inversion center, the dianion functioning in the μ4-bridging mode. One Mn atom lies on a general position and is surrounded by six O atoms belonging to tetraanions. The other lies on a twofold axis and is also surrounded by six O atoms, one of which belongs to the DMF molecule.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804023396/bt6523sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536804023396/bt6523Isup2.hkl |
CCDC reference: 252946
Key indicators
- Single-crystal X-ray study
- T = 295 K
- Mean (C-C) = 0.005 Å
- R factor = 0.041
- wR factor = 0.109
- Data-to-parameter ratio = 15.6
checkCIF/PLATON results
No syntax errors found
Alert level A PLAT220_ALERT_2_A Large Non-Solvent C Ueq(max)/Ueq(min) ... 6.89 Ratio
Author Response: The DMF is disordered. |
PLAT222_ALERT_3_A Large Non-Solvent H Ueq(max)/Ueq(min) ... 5.07 Ratio
Author Response: The DMF is disordered. |
Alert level B PLAT241_ALERT_2_B Check High U(eq) as Compared to Neighbors for O6 PLAT241_ALERT_2_B Check High U(eq) as Compared to Neighbors for C14 PLAT241_ALERT_2_B Check High U(eq) as Compared to Neighbors for C14' PLAT241_ALERT_2_B Check High U(eq) as Compared to Neighbors for C15 PLAT241_ALERT_2_B Check High U(eq) as Compared to Neighbors for C15'
Alert level C PLAT213_ALERT_2_C Atom O6 has ADP max/min Ratio ............. 3.10 prolat PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors for O7 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors for Mn1 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors for Mn2 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors for N1 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors for N1' PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors for C13 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors for C13' PLAT301_ALERT_3_C Main Residue Disorder ......................... 14.00 Perc.
2 ALERT level A = In general: serious problem 5 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 14 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 0 ALERT type 4 Improvement, methodology, query or suggestion
Computing details top
Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT; 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.
bis(N,N-dimethylformamide)tri-µ5,µ5,µ4-terephathalato-dimanganese top
Crystal data top
[Mn3(C8H4O4)3(C3H7NO)2] | F(000) = 1628 |
Mr = 803.35 | Dx = 1.639 Mg m−3 |
Monoclinic, C2/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -C 2yc | Cell parameters from 4576 reflections |
a = 25.022 (1) Å | θ = 2.1–27.0° |
b = 9.5340 (5) Å | µ = 1.22 mm−1 |
c = 17.923 (1) Å | T = 295 K |
β = 130.417 (1)° | Prism, colorless |
V = 3255.2 (3) Å3 | 0.16 × 0.14 × 0.14 mm |
Z = 4 |
Data collection top
Bruker APEX area-detector diffractometer | 3722 independent reflections |
Radiation source: fine-focus sealed tube | 3116 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.035 |
φ and ω scans | θmax = 27.5°, θmin = 2.1° |
Absorption correction: multi-scan (SADABS; Bruker, 2002) | h = −32→31 |
Tmin = 0.748, Tmax = 0.848 | k = −12→12 |
17473 measured reflections | l = −22→23 |
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)] = 0.041 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.109 | H-atom parameters constrained |
S = 1.03 | w = 1/[σ2(Fo2) + (0.0614P)2 + 3.4074P] where P = (Fo2 + 2Fc2)/3 |
3722 reflections | (Δ/σ)max = 0.001 |
238 parameters | Δρmax = 0.58 e Å−3 |
59 restraints | Δρmin = −0.50 e Å−3 |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Mn1 | 0.5000 | 0.78874 (5) | 0.7500 | 0.02143 (14) | |
Mn2 | 0.676027 (18) | 0.69627 (4) | 0.88450 (2) | 0.02533 (13) | |
O1 | 0.54346 (10) | 0.9393 (2) | 0.71485 (14) | 0.0379 (5) | |
O2 | 0.65852 (10) | 0.9003 (2) | 0.82750 (13) | 0.0419 (5) | |
O3 | 0.59784 (9) | 1.2354 (2) | 0.41180 (12) | 0.0291 (4) | |
O4 | 0.71090 (9) | 1.2113 (2) | 0.52795 (12) | 0.0315 (4) | |
O5 | 0.55072 (10) | 0.6262 (2) | 0.73165 (13) | 0.0375 (5) | |
O6 | 0.64557 (10) | 0.6115 (3) | 0.74958 (15) | 0.0634 (8) | |
O7 | 0.67978 (14) | 0.4911 (3) | 0.9343 (2) | 0.0659 (7) | |
C1 | 0.60536 (13) | 0.9497 (3) | 0.74780 (18) | 0.0308 (6) | |
C2 | 0.61746 (13) | 1.0253 (3) | 0.68600 (18) | 0.0296 (5) | |
C3 | 0.56297 (14) | 1.0902 (3) | 0.5996 (2) | 0.0399 (7) | |
C4 | 0.57300 (14) | 1.1471 (3) | 0.5385 (2) | 0.0376 (7) | |
C5 | 0.63862 (12) | 1.1438 (3) | 0.56515 (17) | 0.0255 (5) | |
C6 | 0.69391 (14) | 1.0835 (4) | 0.6537 (2) | 0.0487 (9) | |
C7 | 0.68287 (15) | 1.0237 (4) | 0.7126 (2) | 0.0503 (9) | |
C8 | 0.64929 (12) | 1.1998 (2) | 0.49755 (16) | 0.0221 (5) | |
C9 | 0.58089 (13) | 0.5973 (3) | 0.69912 (18) | 0.0349 (6) | |
C10 | 0.53902 (13) | 0.5447 (3) | 0.59602 (17) | 0.0281 (5) | |
C11 | 0.46920 (14) | 0.5103 (3) | 0.54172 (19) | 0.0381 (7) | |
C12 | 0.43027 (14) | 0.4655 (3) | 0.4458 (2) | 0.0401 (7) | |
N1 | 0.6489 (5) | 0.2855 (7) | 0.9554 (7) | 0.089 (2) | 0.50 |
C13 | 0.6418 (4) | 0.3994 (6) | 0.9050 (6) | 0.0602 (13) | 0.50 |
C14 | 0.6011 (6) | 0.1786 (11) | 0.9152 (10) | 0.152 (5) | 0.50 |
C15 | 0.7090 (7) | 0.2751 (14) | 1.0554 (8) | 0.135 (4) | 0.50 |
N1' | 0.6707 (4) | 0.2867 (8) | 0.9869 (7) | 0.089 (2) | 0.50 |
C13' | 0.6962 (4) | 0.4162 (7) | 0.9932 (6) | 0.0602 (13) | 0.50 |
C14' | 0.7012 (7) | 0.2144 (13) | 1.0741 (9) | 0.152 (5) | 0.50 |
C15' | 0.6169 (6) | 0.2265 (13) | 0.8995 (9) | 0.135 (4) | 0.50 |
H3 | 0.5190 | 1.0958 | 0.5822 | 0.048* | |
H4 | 0.5355 | 1.1876 | 0.4793 | 0.045* | |
H6 | 0.7387 | 1.0835 | 0.6735 | 0.058* | |
H7 | 0.7201 | 0.9814 | 0.7712 | 0.060* | |
H11 | 0.4483 | 0.5172 | 0.5696 | 0.046* | |
H12 | 0.3832 | 0.4421 | 0.4094 | 0.048* | |
H13 | 0.6017 | 0.4034 | 0.8393 | 0.072* | 0.50 |
H14a | 0.5603 | 0.2033 | 0.8497 | 0.228* | 0.50 |
H14b | 0.5877 | 0.1627 | 0.9541 | 0.228* | 0.50 |
H14c | 0.6216 | 0.0947 | 0.9138 | 0.228* | 0.50 |
H15a | 0.7316 | 0.3649 | 1.0788 | 0.203* | 0.50 |
H15b | 0.7409 | 0.2078 | 1.0633 | 0.203* | 0.50 |
H15c | 0.6954 | 0.2456 | 1.0922 | 0.203* | 0.50 |
H13' | 0.7329 | 0.4466 | 1.0566 | 0.072* | 0.50 |
H14d | 0.7472 | 0.2516 | 1.1252 | 0.228* | 0.50 |
H14e | 0.7049 | 0.1167 | 1.0651 | 0.228* | 0.50 |
H14f | 0.6726 | 0.2253 | 1.0919 | 0.228* | 0.50 |
H15d | 0.6139 | 0.2682 | 0.8481 | 0.203* | 0.50 |
H15e | 0.5737 | 0.2412 | 0.8866 | 0.203* | 0.50 |
H15f | 0.6254 | 0.1277 | 0.9023 | 0.203* | 0.50 |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
Mn1 | 0.0168 (2) | 0.0325 (3) | 0.0188 (3) | 0.000 | 0.0132 (2) | 0.000 |
Mn2 | 0.0191 (2) | 0.0384 (2) | 0.0164 (2) | 0.00033 (15) | 0.01055 (16) | −0.00580 (14) |
O1 | 0.0323 (10) | 0.0537 (12) | 0.0372 (10) | −0.0005 (9) | 0.0267 (9) | 0.0119 (9) |
O2 | 0.0313 (10) | 0.0607 (13) | 0.0290 (10) | −0.0026 (9) | 0.0174 (9) | 0.0159 (9) |
O3 | 0.0233 (9) | 0.0445 (10) | 0.0187 (8) | 0.0036 (8) | 0.0133 (8) | 0.0068 (7) |
O4 | 0.0194 (8) | 0.0540 (12) | 0.0209 (8) | −0.0022 (8) | 0.0129 (7) | 0.0071 (8) |
O5 | 0.0375 (10) | 0.0515 (12) | 0.0241 (9) | 0.0062 (9) | 0.0202 (9) | −0.0088 (8) |
O6 | 0.0260 (10) | 0.121 (2) | 0.0289 (11) | −0.0084 (12) | 0.0115 (9) | −0.0384 (13) |
O7 | 0.0698 (17) | 0.0382 (13) | 0.0763 (18) | 0.0015 (12) | 0.0414 (15) | 0.0046 (12) |
C1 | 0.0323 (13) | 0.0404 (14) | 0.0245 (13) | −0.0026 (11) | 0.0205 (12) | 0.0030 (11) |
C2 | 0.0270 (12) | 0.0405 (14) | 0.0253 (12) | −0.0016 (11) | 0.0187 (11) | 0.0047 (10) |
C3 | 0.0263 (13) | 0.0618 (19) | 0.0396 (15) | 0.0063 (13) | 0.0250 (13) | 0.0172 (14) |
C4 | 0.0244 (12) | 0.0582 (18) | 0.0324 (14) | 0.0103 (12) | 0.0194 (12) | 0.0208 (13) |
C5 | 0.0233 (11) | 0.0350 (13) | 0.0212 (11) | −0.0036 (10) | 0.0157 (10) | 0.0018 (10) |
C6 | 0.0212 (13) | 0.092 (3) | 0.0345 (15) | 0.0062 (14) | 0.0187 (12) | 0.0266 (16) |
C7 | 0.0245 (13) | 0.090 (3) | 0.0304 (14) | 0.0070 (15) | 0.0150 (12) | 0.0284 (16) |
C8 | 0.0195 (11) | 0.0318 (12) | 0.0162 (10) | −0.0007 (9) | 0.0120 (9) | 0.0013 (9) |
C9 | 0.0273 (13) | 0.0485 (16) | 0.0192 (12) | 0.0038 (11) | 0.0108 (11) | −0.0104 (11) |
C10 | 0.0235 (12) | 0.0377 (13) | 0.0181 (11) | 0.0004 (10) | 0.0112 (10) | −0.0076 (10) |
C11 | 0.0302 (13) | 0.0618 (18) | 0.0287 (13) | −0.0074 (13) | 0.0220 (12) | −0.0163 (13) |
C12 | 0.0226 (12) | 0.065 (2) | 0.0299 (14) | −0.0108 (12) | 0.0159 (11) | −0.0217 (13) |
N1 | 0.108 (5) | 0.054 (2) | 0.147 (6) | −0.013 (3) | 0.101 (5) | −0.007 (3) |
C13 | 0.061 (3) | 0.046 (3) | 0.077 (3) | 0.000 (2) | 0.046 (3) | −0.005 (3) |
C14 | 0.181 (9) | 0.127 (8) | 0.177 (9) | −0.009 (6) | 0.128 (7) | 0.008 (6) |
C15 | 0.122 (7) | 0.139 (8) | 0.167 (9) | −0.017 (6) | 0.104 (6) | −0.048 (6) |
N1' | 0.108 (5) | 0.054 (2) | 0.147 (6) | −0.013 (3) | 0.101 (5) | −0.007 (3) |
C13' | 0.061 (3) | 0.046 (3) | 0.077 (3) | 0.000 (2) | 0.046 (3) | −0.005 (3) |
C14' | 0.181 (9) | 0.127 (8) | 0.177 (9) | −0.009 (6) | 0.128 (7) | 0.008 (6) |
C15' | 0.122 (7) | 0.139 (8) | 0.167 (9) | −0.017 (6) | 0.104 (6) | −0.048 (6) |
Geometric parameters (Å, º) top
Mn1—O1 | 2.128 (2) | C10—C12v | 1.382 (4) |
Mn1—O1i | 2.128 (2) | C11—C12 | 1.384 (4) |
Mn1—O3ii | 2.291 (2) | C12—C10v | 1.382 (4) |
Mn1—O3iii | 2.291 (2) | C12—H12 | 0.9300 |
Mn1—O5 | 2.159 (2) | N1—C13 | 1.348 (7) |
Mn1—O5i | 2.159 (2) | N1—C14 | 1.369 (8) |
Mn2—O2 | 2.107 (2) | N1—C15 | 1.410 (8) |
Mn2—O3ii | 2.394 (2) | N1'—C13' | 1.360 (7) |
Mn2—O6 | 2.166 (2) | N1'—C15' | 1.364 (8) |
Mn2—O7 | 2.127 (3) | N1'—C14' | 1.398 (8) |
Mn2—O4ii | 2.289 (2) | C3—H3 | 0.93 |
Mn2—O4iv | 2.175 (2) | C4—H4 | 0.93 |
O1—C1 | 1.254 (3) | C6—H6 | 0.93 |
O2—C1 | 1.252 (3) | C7—H7 | 0.93 |
O3—C8 | 1.253 (3) | C11—H11 | 0.93 |
O4—C8 | 1.263 (3) | C13—H13 | 0.93 |
O5—C9 | 1.248 (3) | C14—H14a | 0.96 |
O6—C9 | 1.248 (3) | C14—H14b | 0.96 |
O7—C13' | 1.109 (7) | C14—H14c | 0.96 |
O7—C13 | 1.138 (6) | C15—H15a | 0.96 |
C1—C2 | 1.507 (3) | C15—H15b | 0.96 |
C2—C7 | 1.377 (4) | C15—H15c | 0.96 |
C2—C3 | 1.379 (4) | C13'—H13' | 0.93 |
C3—C4 | 1.383 (4) | C14'—H14d | 0.96 |
C4—C5 | 1.381 (3) | C14'—H14e | 0.96 |
C5—C6 | 1.384 (4) | C14'—H14f | 0.96 |
C5—C8 | 1.498 (3) | C15'—H15d | 0.96 |
C6—C7 | 1.376 (4) | C15'—H15e | 0.96 |
C9—C10 | 1.501 (3) | C15'—H15f | 0.96 |
C10—C11 | 1.379 (4) | ||
O1—Mn1—O1i | 95.2 (1) | C4—C5—C8 | 120.5 (2) |
O1—Mn1—O3ii | 96.4 (1) | C6—C5—C8 | 120.4 (2) |
O1—Mn1—O3iii | 91.4 (1) | C7—C6—C5 | 120.2 (2) |
O1—Mn1—O5 | 88.6 (1) | C6—C7—C2 | 121.0 (3) |
O1—Mn1—O5i | 173.2 (1) | O3—C8—O4 | 120.1 (2) |
O1i—Mn1—O3ii | 91.4 (1) | O3—C8—C5 | 120.6 (2) |
O1i—Mn1—O3iii | 96.4 (1) | O4—C8—C5 | 119.3 (2) |
O1i—Mn1—O5 | 173.2 (1) | O5—C9—O6 | 122.1 (2) |
O1i—Mn1—O5i | 88.6 (1) | O5—C9—C10 | 119.9 (2) |
O3ii—Mn1—O3iii | 168.5 (1) | O6—C9—C10 | 118.1 (2) |
O3ii—Mn1—O5 | 82.5 (1) | C11—C10—C12v | 119.7 (2) |
O3ii—Mn1—O5i | 89.2 (1) | C11—C10—C9 | 120.1 (2) |
O3iii—Mn1—O5 | 89.2 (1) | C12v—C10—C9 | 120.1 (2) |
O3iii—Mn1—O5i | 82.5 (1) | C10—C11—C12 | 120.0 (2) |
O5—Mn1—O5i | 88.3 (1) | C10v—C12—C11 | 120.3 (2) |
O2—Mn2—O3ii | 84.7 (1) | C10v—C12—H12 | 119.9 |
O2—Mn2—O4ii | 89.8 (1) | C13—N1—C14 | 123.9 (6) |
O2—Mn2—O4iv | 93.1 (1) | C13—N1—C15 | 118.5 (6) |
O2—Mn2—O6 | 89.5 (1) | C14—N1—C15 | 117.6 (6) |
O2—Mn2—O7 | 172.5 (1) | O7—C13—N1 | 127.0 (7) |
O3ii—Mn2—O4ii | 55.4 (1) | C13'—N1'—C15' | 122.6 (6) |
O3ii—Mn2—O4iv | 133.5 (1) | C13'—N1'—C14' | 117.9 (6) |
O3ii—Mn2—O6 | 126.0 (1) | C15'—N1'—C14' | 119.6 (6) |
O3ii—Mn2—O7 | 89.1 (1) | O7—C13'—N1' | 129.9 (7) |
O4ii—Mn2—O4iv | 78.1 (1) | C2—C3—H3 | 119.7 |
O4ii—Mn2—O6 | 178.4 (1) | C4—C3—H3 | 119.7 |
O4ii—Mn2—O7 | 90.1 (1) | C5—C4—H4 | 119.9 |
O4iv—Mn2—O6 | 100.5 (1) | C3—C4—H4 | 119.9 |
O4iv—Mn2—O7 | 94.3 (1) | C7—C6—H6 | 119.9 |
O6—Mn2—O7 | 90.8 (1) | C5—C6—H6 | 119.9 |
C1—O1—Mn1 | 128.8 (2) | C6—C7—H7 | 119.5 |
C1—O2—Mn2 | 129.3 (2) | C2—C7—H7 | 119.5 |
C8—O3—Mn1iii | 158.5 (2) | C10—C11—H11 | 120.0 |
C8—O3—Mn2vi | 89.9 (1) | C12—C11—H11 | 120.0 |
Mn1iii—O3—Mn2vi | 96.5 (1) | C11—C12—H12 | 119.9 |
C8—O4—Mn2vii | 163.4 (2) | O7—C13—H13 | 116.5 |
C8—O4—Mn2vi | 94.5 (1) | N1—C13—H13 | 116.5 |
Mn2vii—O4—Mn2vi | 101.9 (1) | O7—C13'—H13' | 115.1 |
C9—O5—Mn1 | 145.4 (2) | N1'—C13'—H13' | 115.1 |
C9—O6—Mn2 | 101.6 (2) | N1'—C14'—H14d | 109.5 |
C13'—O7—C13 | 68.1 (6) | N1'—C14'—H14e | 109.5 |
C13'—O7—Mn2 | 151.6 (4) | H14d—C14'—H14e | 109.5 |
C13—O7—Mn2 | 135.7 (4) | N1'—C14'—H14f | 109.5 |
O2—C1—O1 | 125.6 (2) | H14d—C14'—H14f | 109.5 |
O2—C1—C2 | 116.6 (2) | H14e—C14'—H14f | 109.5 |
O1—C1—C2 | 117.9 (2) | N1'—C15'—H15d | 109.5 |
C7—C2—C3 | 118.8 (2) | N1'—C15'—H15e | 109.5 |
C7—C2—C1 | 120.0 (2) | H15d—C15'—H15e | 109.5 |
C3—C2—C1 | 121.1 (2) | N1'—C15'—H15f | 109.5 |
C2—C3—C4 | 120.7 (2) | H15d—C15'—H15f | 109.5 |
C5—C4—C3 | 120.2 (2) | H15e—C15'—H15f | 109.5 |
C4—C5—C6 | 119.1 (2) | ||
O1i—Mn1—O1—C1 | 126.6 (2) | C4—C5—C6—C7 | 2.1 (5) |
O5—Mn1—O1—C1 | −47.7 (2) | C8—C5—C6—C7 | −175.6 (3) |
O3iii—Mn1—O1—C1 | −136.9 (2) | C5—C6—C7—C2 | −1.5 (6) |
O3ii—Mn1—O1—C1 | 34.6 (2) | C3—C2—C7—C6 | −1.0 (5) |
O6—Mn2—O2—C1 | 52.4 (2) | C1—C2—C7—C6 | 175.4 (3) |
O4iv—Mn2—O2—C1 | 152.8 (2) | Mn1iii—O3—C8—O4 | 106.8 (4) |
O4ii—Mn2—O2—C1 | −129.1 (2) | Mn2vi—O3—C8—O4 | −0.9 (2) |
O3ii—Mn2—O2—C1 | −73.8 (2) | Mn1iii—O3—C8—C5 | −73.4 (5) |
O1—Mn1—O5—C9 | −14.5 (3) | Mn2vi—O3—C8—C5 | 178.9 (2) |
O3iii—Mn1—O5—C9 | 76.9 (3) | Mn2vii—O4—C8—O3 | −169.9 (5) |
O3ii—Mn1—O5—C9 | −111.1 (3) | Mn2vi—O4—C8—O3 | 1.0 (2) |
O2—Mn2—O6—C9 | −89.2 (2) | Mn2vii—O4—C8—C5 | 10.3 (7) |
O7—Mn2—O6—C9 | 83.3 (2) | Mn2vi—O4—C8—C5 | −178.8 (2) |
O4iv—Mn2—O6—C9 | 177.8 (2) | C4—C5—C8—O3 | −8.2 (4) |
O3ii—Mn2—O6—C9 | −6.1 (3) | C6—C5—C8—O3 | 169.4 (3) |
O6—Mn2—O7—C13' | 163.5 (8) | C4—C5—C8—O4 | 171.6 (3) |
O4iv—Mn2—O7—C13' | 63.0 (8) | C6—C5—C8—O4 | −10.8 (4) |
O4ii—Mn2—O7—C13' | −15.1 (8) | Mn1—O5—C9—O6 | 88.7 (4) |
O3ii—Mn2—O7—C13' | −70.5 (8) | Mn1—O5—C9—C10 | −90.8 (4) |
O6—Mn2—O7—C13 | −55.4 (5) | Mn2—O6—C9—O5 | −1.9 (4) |
O4iv—Mn2—O7—C13 | −156.0 (5) | Mn2—O6—C9—C10 | 177.7 (2) |
O4ii—Mn2—O7—C13 | 126.0 (5) | O5—C9—C10—C11 | −8.8 (4) |
O3ii—Mn2—O7—C13 | 70.5 (5) | O6—C9—C10—C11 | 171.7 (3) |
Mn2—O2—C1—O1 | 49.5 (4) | O5—C9—C10—C12v | 169.3 (3) |
Mn2—O2—C1—C2 | −129.1 (2) | O6—C9—C10—C12v | −10.2 (4) |
Mn1—O1—C1—O2 | −22.1 (4) | C12v—C10—C11—C12 | 0.1 (5) |
Mn1—O1—C1—C2 | 156.5 (2) | C9—C10—C11—C12 | 178.3 (3) |
O2—C1—C2—C7 | 7.4 (4) | C10—C11—C12—C10v | −0.1 (5) |
O1—C1—C2—C7 | −171.4 (3) | C13'—O7—C13—N1 | −5.1 (6) |
O2—C1—C2—C3 | −176.4 (3) | Mn2—O7—C13—N1 | −166.4 (4) |
O1—C1—C2—C3 | 4.9 (4) | C14—N1—C13—O7 | −179.9 (4) |
C7—C2—C3—C4 | 2.9 (5) | C15—N1—C13—O7 | 0.2 (4) |
C1—C2—C3—C4 | −173.4 (3) | C13—O7—C13'—N1' | 9.3 (6) |
C2—C3—C4—C5 | −2.3 (5) | Mn2—O7—C13'—N1' | 161.1 (6) |
C3—C4—C5—C6 | −0.2 (5) | C15'—N1'—C13'—O7 | 0.1 (5) |
C3—C4—C5—C8 | 177.5 (3) | C14'—N1'—C13'—O7 | −179.6 (4) |
Symmetry codes: (i) −x+1, y, −z+3/2; (ii) x, −y+2, z+1/2; (iii) −x+1, −y+2, −z+1; (iv) −x+3/2, y−1/2, −z+3/2; (v) −x+1, −y+1, −z+1; (vi) x, −y+2, z−1/2; (vii) −x+3/2, y+1/2, −z+3/2. |
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