Mn1—O1 | 2.1941 (12) | C20—H20A | 0.9800 |
Mn1—O2 | 2.5009 (12) | C20—H20B | 0.9800 |
Mn1—O3 | 2.2004 (13) | C20—H20C | 0.9800 |
Mn1—N1 | 2.2769 (15) | C21—H21A | 0.9800 |
Mn1—N2 | 2.4092 (13) | C21—H21B | 0.9800 |
Mn1—N3 | 2.3022 (13) | C21—H21C | 0.9800 |
Mn1—N4 | 2.2496 (13) | C22—C23 | 1.397 (2) |
O1—H1 | 0.863 (9) | C22—C27 | 1.401 (2) |
O1—C21 | 1.415 (2) | C22—B1 | 1.648 (2) |
O2—C19 | 1.251 (2) | C23—H23 | 0.9500 |
O3—C19 | 1.2541 (19) | C23—C24 | 1.395 (3) |
N1—C4 | 1.343 (2) | C24—H24 | 0.9500 |
N1—C8 | 1.341 (2) | C24—C25 | 1.373 (3) |
N2—C2 | 1.475 (2) | C25—H25 | 0.9500 |
N2—C3 | 1.467 (2) | C25—C26 | 1.375 (3) |
N2—C13 | 1.481 (2) | C26—H26 | 0.9500 |
N3—C1 | 1.3406 (19) | C26—C27 | 1.389 (2) |
N3—C12 | 1.334 (2) | C27—H27 | 0.9500 |
N4—C14 | 1.3428 (19) | C28—C29 | 1.396 (2) |
N4—C18 | 1.342 (2) | C28—C33 | 1.404 (2) |
C1—C2 | 1.498 (2) | C28—B1 | 1.651 (2) |
C1—C9 | 1.383 (2) | C29—H29 | 0.9500 |
C2—H2A | 0.9900 | C29—C30 | 1.392 (2) |
C2—H2B | 0.9900 | C30—H30 | 0.9500 |
C3—H3A | 0.9900 | C30—C31 | 1.386 (2) |
C3—H3B | 0.9900 | C31—H31 | 0.9500 |
C3—C4 | 1.504 (3) | C31—C32 | 1.378 (2) |
C4—C5 | 1.386 (3) | C32—H32 | 0.9500 |
C5—H5 | 0.9500 | C32—C33 | 1.389 (2) |
C5—C6 | 1.372 (3) | C33—H33 | 0.9500 |
C6—H6 | 0.9500 | C34—C35 | 1.404 (2) |
C6—C7 | 1.379 (4) | C34—C39 | 1.406 (2) |
C7—H7 | 0.9500 | C34—B1 | 1.644 (2) |
C7—C8 | 1.377 (3) | C35—H35 | 0.9500 |
C8—H8 | 0.9500 | C35—C36 | 1.391 (2) |
C9—H9 | 0.9500 | C36—H36 | 0.9500 |
C9—C10 | 1.378 (3) | C36—C37 | 1.379 (3) |
C10—H10 | 0.9500 | C37—H37 | 0.9500 |
C10—C11 | 1.379 (2) | C37—C38 | 1.387 (2) |
C11—H11 | 0.9500 | C38—H38 | 0.9500 |
C11—C12 | 1.375 (2) | C38—C39 | 1.385 (2) |
C12—H12 | 0.9500 | C39—H39 | 0.9500 |
C13—H13A | 0.9900 | C40—C41 | 1.389 (2) |
C13—H13B | 0.9900 | C40—C45 | 1.403 (2) |
C13—C14 | 1.505 (2) | C40—B1 | 1.643 (2) |
C14—C15 | 1.386 (2) | C41—H41 | 0.9500 |
C15—H15 | 0.9500 | C41—C42 | 1.398 (2) |
C15—C16 | 1.382 (3) | C42—H42 | 0.9500 |
C16—H16 | 0.9500 | C42—C43 | 1.372 (3) |
C16—C17 | 1.379 (3) | C43—H43 | 0.9500 |
C17—H17 | 0.9500 | C43—C44 | 1.378 (3) |
C17—C18 | 1.374 (2) | C44—H44 | 0.9500 |
C18—H18 | 0.9500 | C44—C45 | 1.391 (3) |
C19—C20 | 1.502 (2) | C45—H45 | 0.9500 |
O1—Mn1—O2 | 81.52 (4) | C18—C17—C16 | 118.46 (16) |
O1—Mn1—O3 | 101.03 (5) | C18—C17—H17 | 120.8 |
O1—Mn1—N1 | 88.33 (5) | N4—C18—C17 | 122.91 (15) |
O1—Mn1—N2 | 92.28 (5) | N4—C18—H18 | 118.5 |
O1—Mn1—N3 | 88.03 (4) | C17—C18—H18 | 118.5 |
O1—Mn1—N4 | 166.95 (5) | O2—C19—O3 | 120.79 (15) |
O2—Mn1—O3 | 54.74 (4) | O2—C19—C20 | 120.41 (15) |
O3—Mn1—N1 | 132.87 (5) | O3—C19—C20 | 118.79 (16) |
O3—Mn1—N2 | 152.00 (5) | C19—C20—H20A | 109.5 |
O3—Mn1—N3 | 83.91 (5) | C19—C20—H20B | 109.5 |
O3—Mn1—N4 | 88.91 (5) | C19—C20—H20C | 109.5 |
N1—Mn1—O2 | 81.88 (5) | H20A—C20—H20B | 109.5 |
N1—Mn1—N2 | 71.41 (5) | H20A—C20—H20C | 109.5 |
N1—Mn1—N3 | 142.97 (5) | H20B—C20—H20C | 109.5 |
N2—Mn1—O2 | 152.77 (5) | O1—C21—H21A | 109.5 |
N3—Mn1—O2 | 133.76 (4) | O1—C21—H21B | 109.5 |
N3—Mn1—N2 | 71.94 (5) | O1—C21—H21C | 109.5 |
N4—Mn1—O2 | 111.30 (4) | H21A—C21—H21B | 109.5 |
N4—Mn1—N1 | 91.07 (5) | H21A—C21—H21C | 109.5 |
N2—Mn1—N4 | 75.20 (4) | H21B—C21—H21C | 109.5 |
N4—Mn1—N3 | 84.61 (4) | C23—C22—C27 | 115.29 (15) |
Mn1—O1—H1 | 115.2 (11) | C23—C22—B1 | 124.68 (15) |
C21—O1—Mn1 | 129.43 (12) | C27—C22—B1 | 120.02 (13) |
C21—O1—H1 | 106.3 (11) | C22—C23—H23 | 118.9 |
C19—O2—Mn1 | 85.21 (9) | C24—C23—C22 | 122.17 (19) |
C19—O3—Mn1 | 99.20 (11) | C24—C23—H23 | 118.9 |
C4—N1—Mn1 | 117.72 (11) | C23—C24—H24 | 119.9 |
C8—N1—Mn1 | 123.44 (13) | C25—C24—C23 | 120.28 (19) |
C8—N1—C4 | 118.83 (16) | C25—C24—H24 | 119.9 |
C2—N2—Mn1 | 109.13 (9) | C24—C25—H25 | 120.2 |
C2—N2—C13 | 112.02 (13) | C24—C25—C26 | 119.65 (17) |
C3—N2—Mn1 | 106.06 (10) | C26—C25—H25 | 120.2 |
C3—N2—C2 | 110.69 (13) | C25—C26—H26 | 120.2 |
C3—N2—C13 | 110.45 (13) | C25—C26—C27 | 119.6 (2) |
C13—N2—Mn1 | 108.28 (9) | C27—C26—H26 | 120.2 |
C1—N3—Mn1 | 118.77 (10) | C22—C27—H27 | 118.5 |
C12—N3—Mn1 | 122.76 (10) | C26—C27—C22 | 122.97 (17) |
C12—N3—C1 | 118.23 (13) | C26—C27—H27 | 118.5 |
C14—N4—Mn1 | 117.29 (10) | C29—C28—C33 | 114.96 (13) |
C18—N4—Mn1 | 123.01 (10) | C29—C28—B1 | 124.89 (13) |
C18—N4—C14 | 118.46 (13) | C33—C28—B1 | 120.14 (13) |
N3—C1—C2 | 116.93 (14) | C28—C29—H29 | 118.6 |
N3—C1—C9 | 122.07 (15) | C30—C29—C28 | 122.70 (14) |
C9—C1—C2 | 120.91 (14) | C30—C29—H29 | 118.6 |
N2—C2—C1 | 112.94 (13) | C29—C30—H30 | 119.7 |
N2—C2—H2A | 109.0 | C31—C30—C29 | 120.52 (15) |
N2—C2—H2B | 109.0 | C31—C30—H30 | 119.7 |
C1—C2—H2A | 109.0 | C30—C31—H31 | 120.8 |
C1—C2—H2B | 109.0 | C32—C31—C30 | 118.45 (14) |
H2A—C2—H2B | 107.8 | C32—C31—H31 | 120.8 |
N2—C3—H3A | 109.4 | C31—C32—H32 | 119.8 |
N2—C3—H3B | 109.4 | C31—C32—C33 | 120.48 (15) |
N2—C3—C4 | 111.33 (14) | C33—C32—H32 | 119.8 |
H3A—C3—H3B | 108.0 | C28—C33—H33 | 118.6 |
C4—C3—H3A | 109.4 | C32—C33—C28 | 122.87 (15) |
C4—C3—H3B | 109.4 | C32—C33—H33 | 118.6 |
N1—C4—C3 | 116.60 (15) | C35—C34—C39 | 114.69 (14) |
N1—C4—C5 | 121.68 (18) | C35—C34—B1 | 124.20 (13) |
C5—C4—C3 | 121.66 (18) | C39—C34—B1 | 121.01 (13) |
C4—C5—H5 | 120.4 | C34—C35—H35 | 118.7 |
C6—C5—C4 | 119.1 (2) | C36—C35—C34 | 122.57 (15) |
C6—C5—H5 | 120.4 | C36—C35—H35 | 118.7 |
C5—C6—H6 | 120.4 | C35—C36—H36 | 119.7 |
C5—C6—C7 | 119.2 (2) | C37—C36—C35 | 120.60 (16) |
C7—C6—H6 | 120.4 | C37—C36—H36 | 119.7 |
C6—C7—H7 | 120.5 | C36—C37—H37 | 120.6 |
C8—C7—C6 | 119.1 (2) | C36—C37—C38 | 118.89 (15) |
C8—C7—H7 | 120.5 | C38—C37—H37 | 120.6 |
N1—C8—C7 | 122.1 (2) | C37—C38—H38 | 120.1 |
N1—C8—H8 | 119.0 | C39—C38—C37 | 119.87 (15) |
C7—C8—H8 | 119.0 | C39—C38—H38 | 120.1 |
C1—C9—H9 | 120.5 | C34—C39—H39 | 118.3 |
C10—C9—C1 | 118.90 (15) | C38—C39—C34 | 123.35 (14) |
C10—C9—H9 | 120.5 | C38—C39—H39 | 118.3 |
C9—C10—H10 | 120.4 | C41—C40—C45 | 114.91 (15) |
C9—C10—C11 | 119.28 (15) | C41—C40—B1 | 124.17 (14) |
C11—C10—H10 | 120.4 | C45—C40—B1 | 120.91 (14) |
C10—C11—H11 | 120.8 | C40—C41—H41 | 118.5 |
C12—C11—C10 | 118.34 (16) | C40—C41—C42 | 123.04 (16) |
C12—C11—H11 | 120.8 | C42—C41—H41 | 118.5 |
N3—C12—C11 | 123.17 (15) | C41—C42—H42 | 120.0 |
N3—C12—H12 | 118.4 | C43—C42—C41 | 120.06 (18) |
C11—C12—H12 | 118.4 | C43—C42—H42 | 120.0 |
N2—C13—H13A | 108.4 | C42—C43—H43 | 120.5 |
N2—C13—H13B | 108.4 | C42—C43—C44 | 119.05 (17) |
N2—C13—C14 | 115.31 (13) | C44—C43—H43 | 120.5 |
H13A—C13—H13B | 107.5 | C43—C44—H44 | 119.9 |
C14—C13—H13A | 108.4 | C43—C44—C45 | 120.23 (18) |
C14—C13—H13B | 108.4 | C45—C44—H44 | 119.9 |
N4—C14—C13 | 118.13 (13) | C40—C45—H45 | 118.6 |
N4—C14—C15 | 121.82 (15) | C44—C45—C40 | 122.71 (18) |
C15—C14—C13 | 119.89 (14) | C44—C45—H45 | 118.6 |
C14—C15—H15 | 120.6 | C22—B1—C28 | 110.31 (12) |
C16—C15—C14 | 118.85 (16) | C34—B1—C22 | 108.42 (12) |
C16—C15—H15 | 120.6 | C34—B1—C28 | 110.47 (11) |
C15—C16—H16 | 120.3 | C40—B1—C22 | 110.69 (12) |
C17—C16—C15 | 119.44 (16) | C40—B1—C28 | 107.22 (12) |
C17—C16—H16 | 120.3 | C40—B1—C34 | 109.72 (12) |
C16—C17—H17 | 120.8 | ||
Mn1—O2—C19—O3 | −2.16 (14) | C23—C22—B1—C28 | −109.03 (17) |
Mn1—O2—C19—C20 | 178.52 (15) | C23—C22—B1—C34 | 129.87 (15) |
Mn1—O3—C19—O2 | 2.48 (16) | C23—C22—B1—C40 | 9.5 (2) |
Mn1—O3—C19—C20 | −178.19 (13) | C23—C24—C25—C26 | 1.4 (3) |
Mn1—N1—C4—C3 | −0.32 (19) | C24—C25—C26—C27 | −0.4 (3) |
Mn1—N1—C4—C5 | −177.45 (13) | C25—C26—C27—C22 | −1.7 (3) |
Mn1—N1—C8—C7 | 177.02 (14) | C27—C22—C23—C24 | −1.6 (2) |
Mn1—N2—C2—C1 | 35.27 (16) | C27—C22—B1—C28 | 70.36 (17) |
Mn1—N2—C3—C4 | −43.91 (15) | C27—C22—B1—C34 | −50.73 (17) |
Mn1—N2—C13—C14 | −22.55 (17) | C27—C22—B1—C40 | −171.13 (14) |
Mn1—N3—C1—C2 | 8.77 (17) | C28—C29—C30—C31 | −0.4 (2) |
Mn1—N3—C1—C9 | −174.82 (11) | C29—C28—C33—C32 | 0.1 (2) |
Mn1—N3—C12—C11 | 174.96 (12) | C29—C28—B1—C22 | −15.7 (2) |
Mn1—N4—C14—C13 | −18.61 (18) | C29—C28—B1—C34 | 104.11 (16) |
Mn1—N4—C14—C15 | 166.15 (12) | C29—C28—B1—C40 | −136.36 (14) |
Mn1—N4—C18—C17 | −167.80 (13) | C29—C30—C31—C32 | 0.3 (2) |
N1—C4—C5—C6 | 0.3 (3) | C30—C31—C32—C33 | 0.1 (3) |
N2—C3—C4—N1 | 32.0 (2) | C31—C32—C33—C28 | −0.2 (3) |
N2—C3—C4—C5 | −150.90 (16) | C33—C28—C29—C30 | 0.3 (2) |
N2—C13—C14—N4 | 28.7 (2) | C33—C28—B1—C22 | 163.65 (13) |
N2—C13—C14—C15 | −155.92 (15) | C33—C28—B1—C34 | −76.48 (17) |
N3—C1—C2—N2 | −30.8 (2) | C33—C28—B1—C40 | 43.04 (18) |
N3—C1—C9—C10 | 0.0 (2) | C34—C35—C36—C37 | 0.6 (3) |
N4—C14—C15—C16 | 2.5 (2) | C35—C34—C39—C38 | 1.4 (2) |
C1—N3—C12—C11 | 0.6 (2) | C35—C34—B1—C22 | 146.46 (14) |
C1—C9—C10—C11 | −0.1 (2) | C35—C34—B1—C28 | 25.47 (19) |
C2—N2—C3—C4 | −162.15 (14) | C35—C34—B1—C40 | −92.54 (16) |
C2—N2—C13—C14 | 97.84 (16) | C35—C36—C37—C38 | 0.9 (3) |
C2—C1—C9—C10 | 176.25 (15) | C36—C37—C38—C39 | −1.2 (2) |
C3—N2—C2—C1 | 151.62 (14) | C37—C38—C39—C34 | 0.0 (2) |
C3—N2—C13—C14 | −138.27 (15) | C39—C34—C35—C36 | −1.7 (2) |
C3—C4—C5—C6 | −176.65 (17) | C39—C34—B1—C22 | −37.39 (18) |
C4—N1—C8—C7 | −1.7 (3) | C39—C34—B1—C28 | −158.39 (13) |
C4—C5—C6—C7 | −1.7 (3) | C39—C34—B1—C40 | 83.61 (16) |
C5—C6—C7—C8 | 1.3 (3) | C40—C41—C42—C43 | −0.6 (3) |
C6—C7—C8—N1 | 0.4 (3) | C41—C40—C45—C44 | −0.1 (3) |
C8—N1—C4—C3 | 178.47 (15) | C41—C40—B1—C22 | 107.07 (16) |
C8—N1—C4—C5 | 1.3 (2) | C41—C40—B1—C28 | −132.55 (14) |
C9—C1—C2—N2 | 152.78 (14) | C41—C40—B1—C34 | −12.55 (19) |
C9—C10—C11—C12 | 0.4 (2) | C41—C42—C43—C44 | 0.6 (3) |
C10—C11—C12—N3 | −0.7 (2) | C42—C43—C44—C45 | −0.4 (3) |
C12—N3—C1—C2 | −176.64 (13) | C43—C44—C45—C40 | 0.1 (3) |
C12—N3—C1—C9 | −0.2 (2) | C45—C40—C41—C42 | 0.3 (2) |
C13—N2—C2—C1 | −84.62 (16) | C45—C40—B1—C22 | −72.30 (18) |
C13—N2—C3—C4 | 73.20 (17) | C45—C40—B1—C28 | 48.07 (18) |
C13—C14—C15—C16 | −172.67 (16) | C45—C40—B1—C34 | 168.08 (14) |
C14—N4—C18—C17 | −0.9 (2) | B1—C22—C23—C24 | 177.84 (16) |
C14—C15—C16—C17 | −1.1 (3) | B1—C22—C27—C26 | −176.78 (15) |
C15—C16—C17—C18 | −1.1 (3) | B1—C28—C29—C30 | 179.69 (14) |
C16—C17—C18—N4 | 2.2 (3) | B1—C28—C33—C32 | −179.38 (14) |
C18—N4—C14—C13 | 173.78 (14) | B1—C34—C35—C36 | 174.68 (15) |
C18—N4—C14—C15 | −1.5 (2) | B1—C34—C39—C38 | −175.12 (14) |
C22—C23—C24—C25 | −0.4 (3) | B1—C40—C41—C42 | −179.08 (14) |
C23—C22—C27—C26 | 2.7 (2) | B1—C40—C45—C44 | 179.36 (17) |