Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806029904/kp2047sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806029904/kp2047Isup2.hkl |
CCDC reference: 621399
Key indicators
- Single-crystal X-ray study
- T = 100 K
- Mean (C-C) = 0.004 Å
- R factor = 0.041
- wR factor = 0.120
- Data-to-parameter ratio = 12.2
checkCIF/PLATON results
No syntax errors found
Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for O2 - C15 .. 5.78 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Cr1 - C15 .. 9.52 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Cr1 - C16 .. 9.22 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Cr1 - C17 .. 8.09 su PLAT371_ALERT_2_C Long C(sp2)-C(sp1) Bond C8 - C9 ... 1.42 Ang. PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1 C17 H10 Cr N2 O4
Alert level G REFLT03_ALERT_1_G ALERT: Expected hkl max differ from CIF values From the CIF: _diffrn_reflns_theta_max 69.13 From the CIF: _reflns_number_total 2700 From the CIF: _diffrn_reflns_limit_ max hkl 12. 16. 25. From the CIF: _diffrn_reflns_limit_ min hkl -12. -16. -25. TEST1: Expected hkl limits for theta max Calculated maximum hkl 16. 12. 25. Calculated minimum hkl -16. -12. -25.
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 6 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
Data collection: Proteum2 (Bruker, 2005); cell refinement: SAINT (Bruker, 1998); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 (Farrugia, 1997) and RASTER3D (Merritt & Merritt, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).
[Cr(C14H10N2O)(CO)3] | F(000) = 1456 |
Mr = 358.27 | Dx = 1.635 Mg m−3 |
Orthorhombic, Pbca | Cu Kα radiation, λ = 1.54178 Å |
Hall symbol: -P 2ac 2ab | Cell parameters from 7332 reflections |
a = 13.6266 (4) Å | θ = 4.3–68.8° |
b = 10.3234 (3) Å | µ = 6.71 mm−1 |
c = 20.6939 (6) Å | T = 100 K |
V = 2911.07 (15) Å3 | Block, yellow |
Z = 8 | 0.12 × 0.06 × 0.03 mm |
BrukerProteum diffractometer | 2700 independent reflections |
Radiation source: fine-focus rotating anode | 2456 reflections with I > 2σ(I) |
Osmic mirrors monochromator | Rint = 0.057 |
area–detector scans | θmax = 69.1°, θmin = 4.3° |
Absorption correction: multi-scan (SADABS; Bruker, 2000) | h = −12→12 |
Tmin = 0.500, Tmax = 0.824 | k = −16→16 |
55017 measured reflections | l = −25→25 |
Refinement on F2 | 0 restraints |
Least-squares matrix: full | H atoms treated by a mixture of independent and constrained refinement |
R[F2 > 2σ(F2)] = 0.041 | w = 1/[σ2(Fo2) + (0.0675P)2 + 4.6385P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.120 | (Δ/σ)max < 0.001 |
S = 1.09 | Δρmax = 0.83 e Å−3 |
2700 reflections | Δρmin = −0.78 e Å−3 |
221 parameters |
Experimental. 1H NMR (270 MHz) CDCl3: δ 17.3 (br s, 1H, NH), 7.91 (m, 2H, py), 7.60 (d, 1H, py, J = 9 Hz), 7.11 (t, 1H, py, J = 6 Hz), 6.23 (d, 2H, ArCr, J = 6 Hz), 5.50 (t, 1H, ArCr, J = 6 Hz), 5.31 (t, 2 H, ArCr, J = 6 Hz) p.p.m. |
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. |
x | y | z | Uiso*/Ueq | ||
Cr1 | 0.59011 (3) | 0.06496 (4) | −0.30904 (2) | 0.01675 (17) | |
C5 | 0.7234 (2) | −0.0573 (3) | −0.31046 (13) | 0.0207 (6) | |
H5 | 0.7743 | −0.0642 | −0.2792 | 0.025* | |
O3 | 0.43784 (17) | 0.0306 (2) | −0.20789 (12) | 0.0360 (5) | |
C4 | 0.6421 (2) | −0.1395 (3) | −0.30674 (13) | 0.0212 (6) | |
H4 | 0.6372 | −0.2011 | −0.2728 | 0.025* | |
O2 | 0.67466 (18) | 0.2441 (2) | −0.21079 (10) | 0.0304 (5) | |
C1 | 0.65634 (19) | 0.0461 (3) | −0.40701 (13) | 0.0168 (5) | |
C2 | 0.5744 (2) | −0.0394 (3) | −0.40325 (13) | 0.0180 (5) | |
H2 | 0.524 | −0.0344 | −0.4348 | 0.022* | |
C3 | 0.5676 (2) | −0.1305 (3) | −0.35359 (13) | 0.0204 (6) | |
H3 | 0.5125 | −0.1866 | −0.3514 | 0.024* | |
C6 | 0.73069 (19) | 0.0360 (3) | −0.36029 (13) | 0.0180 (5) | |
H6 | 0.786 | 0.092 | −0.3621 | 0.022* | |
C15 | 0.6451 (2) | 0.1762 (3) | −0.24877 (14) | 0.0236 (6) | |
C16 | 0.4944 (2) | 0.0388 (3) | −0.24641 (15) | 0.0241 (6) | |
O1 | 0.56705 (13) | 0.17590 (19) | −0.47967 (9) | 0.0202 (4) | |
C7 | 0.65137 (19) | 0.1491 (3) | −0.45908 (12) | 0.0170 (5) | |
O4 | 0.46785 (17) | 0.2899 (2) | −0.35107 (11) | 0.0341 (5) | |
C10 | 0.73187 (19) | 0.3140 (2) | −0.52972 (12) | 0.0155 (5) | |
C9 | 0.83365 (19) | 0.1657 (2) | −0.46814 (12) | 0.0162 (5) | |
C8 | 0.73743 (19) | 0.2099 (2) | −0.48316 (12) | 0.0159 (5) | |
C17 | 0.5141 (2) | 0.2065 (3) | −0.33611 (13) | 0.0230 (6) | |
N2 | 0.64246 (16) | 0.3602 (2) | −0.54754 (10) | 0.0157 (5) | |
N1 | 0.91284 (16) | 0.1324 (2) | −0.45788 (12) | 0.0205 (5) | |
C12 | 0.8024 (2) | 0.4730 (3) | −0.60120 (13) | 0.0193 (5) | |
H12 | 0.8583 | 0.5115 | −0.6208 | 0.023* | |
C14 | 0.6295 (2) | 0.4600 (3) | −0.58872 (13) | 0.0173 (5) | |
H14 | 0.5651 | 0.4895 | −0.5984 | 0.021* | |
C13 | 0.7086 (2) | 0.5187 (3) | −0.61658 (13) | 0.0186 (5) | |
H13 | 0.7003 | 0.5889 | −0.6457 | 0.022* | |
C11 | 0.81490 (19) | 0.3729 (3) | −0.55798 (12) | 0.0178 (5) | |
H11 | 0.879 | 0.3437 | −0.5472 | 0.021* | |
H15 | 0.597 (2) | 0.324 (3) | −0.5328 (16) | 0.014 (8)* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Cr1 | 0.0159 (3) | 0.0171 (3) | 0.0173 (3) | 0.00033 (17) | −0.00043 (16) | 0.00074 (17) |
C5 | 0.0165 (14) | 0.0245 (14) | 0.0210 (14) | 0.0067 (11) | −0.0005 (10) | 0.0042 (11) |
O3 | 0.0273 (12) | 0.0434 (14) | 0.0372 (13) | 0.0033 (11) | 0.0086 (11) | −0.0100 (11) |
C4 | 0.0230 (14) | 0.0179 (13) | 0.0228 (14) | 0.0059 (11) | 0.0025 (11) | 0.0048 (10) |
O2 | 0.0495 (13) | 0.0226 (10) | 0.0191 (10) | −0.0067 (10) | 0.0021 (10) | 0.0000 (9) |
C1 | 0.0156 (12) | 0.0185 (13) | 0.0163 (13) | 0.0032 (10) | 0.0028 (10) | −0.0003 (10) |
C2 | 0.0169 (12) | 0.0192 (13) | 0.0179 (13) | 0.0007 (11) | −0.0012 (10) | −0.0028 (11) |
C3 | 0.0211 (13) | 0.0168 (13) | 0.0232 (14) | −0.0008 (11) | 0.0034 (11) | −0.0024 (11) |
C6 | 0.0131 (13) | 0.0221 (13) | 0.0188 (13) | 0.0023 (10) | −0.0002 (10) | 0.0013 (11) |
C15 | 0.0201 (14) | 0.0245 (14) | 0.0263 (15) | −0.0049 (11) | −0.0015 (11) | 0.0126 (13) |
C16 | 0.0237 (14) | 0.0207 (13) | 0.0280 (15) | −0.0072 (12) | −0.0065 (12) | 0.0038 (12) |
O1 | 0.0131 (9) | 0.0256 (10) | 0.0219 (9) | −0.0008 (8) | −0.0027 (7) | 0.0060 (8) |
C7 | 0.0171 (13) | 0.0185 (13) | 0.0153 (12) | 0.0005 (10) | −0.0007 (10) | −0.0011 (10) |
O4 | 0.0390 (13) | 0.0274 (11) | 0.0360 (12) | 0.0110 (10) | −0.0049 (10) | −0.0057 (10) |
C10 | 0.0158 (12) | 0.0168 (12) | 0.0139 (12) | 0.0022 (10) | −0.0012 (9) | −0.0026 (10) |
C9 | 0.0195 (14) | 0.0156 (12) | 0.0137 (12) | −0.0015 (10) | 0.0010 (10) | 0.0004 (10) |
C8 | 0.0161 (12) | 0.0169 (12) | 0.0147 (12) | 0.0015 (10) | −0.0016 (10) | −0.0006 (10) |
C17 | 0.0219 (14) | 0.0326 (16) | 0.0146 (13) | −0.0052 (13) | −0.0062 (11) | 0.0044 (12) |
N2 | 0.0124 (11) | 0.0189 (11) | 0.0157 (11) | −0.0011 (9) | 0.0009 (8) | 0.0004 (9) |
N1 | 0.0160 (12) | 0.0237 (12) | 0.0219 (12) | 0.0015 (9) | 0.0001 (9) | 0.0033 (10) |
C12 | 0.0175 (13) | 0.0209 (13) | 0.0195 (13) | −0.0030 (11) | 0.0031 (10) | −0.0003 (11) |
C14 | 0.0186 (13) | 0.0175 (12) | 0.0160 (13) | 0.0023 (11) | −0.0023 (10) | −0.0002 (10) |
C13 | 0.0208 (13) | 0.0182 (12) | 0.0169 (12) | 0.0013 (11) | −0.0006 (10) | 0.0019 (10) |
C11 | 0.0156 (12) | 0.0208 (13) | 0.0170 (12) | 0.0016 (10) | 0.0005 (10) | −0.0013 (10) |
Cr1—C15 | 1.854 (3) | C2—H2 | 0.95 |
Cr1—C16 | 1.859 (3) | C3—H3 | 0.95 |
Cr1—C17 | 1.876 (3) | C6—H6 | 0.95 |
Cr1—C6 | 2.210 (3) | O1—C7 | 1.256 (3) |
Cr1—C5 | 2.212 (3) | C7—C8 | 1.420 (4) |
Cr1—C4 | 2.227 (3) | O4—C17 | 1.111 (4) |
Cr1—C1 | 2.228 (3) | C10—N2 | 1.360 (3) |
Cr1—C2 | 2.238 (3) | C10—C11 | 1.411 (4) |
Cr1—C3 | 2.240 (3) | C10—C8 | 1.445 (4) |
C5—C4 | 1.397 (4) | C9—N1 | 1.152 (3) |
C5—C6 | 1.415 (4) | C9—C8 | 1.423 (4) |
C5—H5 | 0.95 | N2—C14 | 1.349 (3) |
O3—C16 | 1.112 (4) | N2—H15 | 0.79 (3) |
C4—C3 | 1.407 (4) | C12—C11 | 1.377 (4) |
C4—H4 | 0.95 | C12—C13 | 1.399 (4) |
O2—C15 | 1.127 (4) | C12—H12 | 0.95 |
C1—C6 | 1.404 (4) | C14—C13 | 1.365 (4) |
C1—C2 | 1.425 (4) | C14—H14 | 0.95 |
C1—C7 | 1.515 (4) | C13—H13 | 0.95 |
C2—C3 | 1.396 (4) | C11—H11 | 0.95 |
C15—Cr1—C16 | 84.52 (12) | C2—C1—C7 | 116.0 (2) |
C15—Cr1—C17 | 86.66 (12) | C6—C1—Cr1 | 70.86 (15) |
C16—Cr1—C17 | 86.18 (13) | C2—C1—Cr1 | 71.77 (15) |
C15—Cr1—C6 | 93.23 (11) | C7—C1—Cr1 | 124.59 (17) |
C16—Cr1—C6 | 157.44 (12) | C3—C2—C1 | 120.6 (2) |
C17—Cr1—C6 | 116.15 (11) | C3—C2—Cr1 | 71.91 (16) |
C15—Cr1—C5 | 91.75 (12) | C1—C2—Cr1 | 71.00 (15) |
C16—Cr1—C5 | 120.19 (12) | C3—C2—H2 | 119.7 |
C17—Cr1—C5 | 153.33 (11) | C1—C2—H2 | 119.7 |
C6—Cr1—C5 | 37.31 (10) | Cr1—C2—H2 | 130 |
C15—Cr1—C4 | 116.37 (12) | C2—C3—C4 | 120.2 (3) |
C16—Cr1—C4 | 94.08 (12) | C2—C3—Cr1 | 71.76 (15) |
C17—Cr1—C4 | 156.91 (11) | C4—C3—Cr1 | 71.15 (16) |
C6—Cr1—C4 | 66.80 (10) | C2—C3—H3 | 119.9 |
C5—Cr1—C4 | 36.69 (11) | C4—C3—H3 | 119.9 |
C15—Cr1—C1 | 120.18 (11) | Cr1—C3—H3 | 129.7 |
C16—Cr1—C1 | 155.00 (11) | C1—C6—C5 | 120.1 (3) |
C17—Cr1—C1 | 91.15 (11) | C1—C6—Cr1 | 72.24 (15) |
C6—Cr1—C1 | 36.90 (9) | C5—C6—Cr1 | 71.44 (15) |
C5—Cr1—C1 | 66.76 (10) | C1—C6—H6 | 119.9 |
C4—Cr1—C1 | 78.91 (10) | C5—C6—H6 | 119.9 |
C15—Cr1—C2 | 157.39 (11) | Cr1—C6—H6 | 128.6 |
C16—Cr1—C2 | 118.07 (11) | O2—C15—Cr1 | 177.0 (3) |
C17—Cr1—C2 | 93.56 (11) | O3—C16—Cr1 | 175.9 (3) |
C6—Cr1—C2 | 66.39 (10) | O1—C7—C8 | 122.6 (2) |
C5—Cr1—C2 | 78.00 (10) | O1—C7—C1 | 115.9 (2) |
C4—Cr1—C2 | 65.95 (10) | C8—C7—C1 | 121.5 (2) |
C1—Cr1—C2 | 37.23 (10) | N2—C10—C11 | 117.0 (2) |
C15—Cr1—C3 | 152.95 (12) | N2—C10—C8 | 119.3 (2) |
C16—Cr1—C3 | 93.45 (12) | C11—C10—C8 | 123.7 (2) |
C17—Cr1—C3 | 120.19 (11) | N1—C9—C8 | 177.5 (3) |
C6—Cr1—C3 | 78.42 (10) | C7—C8—C9 | 122.9 (2) |
C5—Cr1—C3 | 65.97 (10) | C7—C8—C10 | 121.3 (2) |
C4—Cr1—C3 | 36.72 (10) | C9—C8—C10 | 115.6 (2) |
C1—Cr1—C3 | 66.55 (10) | O4—C17—Cr1 | 178.6 (3) |
C2—Cr1—C3 | 36.33 (10) | C14—N2—C10 | 123.9 (2) |
C4—C5—C6 | 120.6 (3) | C14—N2—H15 | 120 (2) |
C4—C5—Cr1 | 72.23 (16) | C10—N2—H15 | 116 (2) |
C6—C5—Cr1 | 71.25 (15) | C11—C12—C13 | 120.9 (2) |
C4—C5—H5 | 119.7 | C11—C12—H12 | 119.6 |
C6—C5—H5 | 119.7 | C13—C12—H12 | 119.6 |
Cr1—C5—H5 | 129.2 | N2—C14—C13 | 120.1 (2) |
C5—C4—C3 | 119.6 (2) | N2—C14—H14 | 119.9 |
C5—C4—Cr1 | 71.08 (16) | C13—C14—H14 | 119.9 |
C3—C4—Cr1 | 72.13 (16) | C14—C13—C12 | 118.4 (2) |
C5—C4—H4 | 120.2 | C14—C13—H13 | 120.8 |
C3—C4—H4 | 120.2 | C12—C13—H13 | 120.8 |
Cr1—C4—H4 | 128.9 | C12—C11—C10 | 119.6 (2) |
C6—C1—C2 | 118.8 (2) | C12—C11—H11 | 120.2 |
C6—C1—C7 | 125.0 (2) | C10—C11—H11 | 120.2 |
C15—Cr1—C5—C4 | 134.65 (17) | C6—Cr1—C2—C1 | −29.83 (15) |
C16—Cr1—C5—C4 | 50.0 (2) | C5—Cr1—C2—C1 | −67.23 (16) |
C17—Cr1—C5—C4 | −139.3 (2) | C4—Cr1—C2—C1 | −103.83 (17) |
C6—Cr1—C5—C4 | −132.3 (2) | C3—Cr1—C2—C1 | −132.8 (2) |
C1—Cr1—C5—C4 | −103.06 (18) | C1—C2—C3—C4 | −0.4 (4) |
C2—Cr1—C5—C4 | −65.68 (16) | Cr1—C2—C3—C4 | −54.1 (2) |
C3—Cr1—C5—C4 | −29.47 (16) | C1—C2—C3—Cr1 | 53.7 (2) |
C15—Cr1—C5—C6 | −93.03 (17) | C5—C4—C3—C2 | −0.5 (4) |
C16—Cr1—C5—C6 | −177.70 (17) | Cr1—C4—C3—C2 | 54.4 (2) |
C17—Cr1—C5—C6 | −7.0 (3) | C5—C4—C3—Cr1 | −54.9 (2) |
C4—Cr1—C5—C6 | 132.3 (2) | C15—Cr1—C3—C2 | −139.8 (2) |
C1—Cr1—C5—C6 | 29.27 (16) | C16—Cr1—C3—C2 | 135.54 (17) |
C2—Cr1—C5—C6 | 66.65 (17) | C17—Cr1—C3—C2 | 47.9 (2) |
C3—Cr1—C5—C6 | 102.85 (18) | C6—Cr1—C3—C2 | −65.71 (16) |
C6—C5—C4—C3 | 1.0 (4) | C5—Cr1—C3—C2 | −102.81 (18) |
Cr1—C5—C4—C3 | 55.4 (2) | C4—Cr1—C3—C2 | −132.3 (2) |
C6—C5—C4—Cr1 | −54.4 (2) | C1—Cr1—C3—C2 | −28.93 (15) |
C15—Cr1—C4—C5 | −52.53 (19) | C15—Cr1—C3—C4 | −7.5 (3) |
C16—Cr1—C4—C5 | −138.43 (18) | C16—Cr1—C3—C4 | −92.20 (18) |
C17—Cr1—C4—C5 | 131.7 (3) | C17—Cr1—C3—C4 | −179.79 (17) |
C6—Cr1—C4—C5 | 29.18 (16) | C6—Cr1—C3—C4 | 66.56 (16) |
C1—Cr1—C4—C5 | 65.80 (16) | C5—Cr1—C3—C4 | 29.45 (16) |
C2—Cr1—C4—C5 | 102.57 (17) | C1—Cr1—C3—C4 | 103.33 (18) |
C3—Cr1—C4—C5 | 131.3 (2) | C2—Cr1—C3—C4 | 132.3 (2) |
C15—Cr1—C4—C3 | 176.20 (17) | C2—C1—C6—C5 | −0.3 (4) |
C16—Cr1—C4—C3 | 90.30 (18) | C7—C1—C6—C5 | 174.5 (2) |
C17—Cr1—C4—C3 | 0.5 (4) | Cr1—C1—C6—C5 | 55.1 (2) |
C6—Cr1—C4—C3 | −102.08 (18) | C2—C1—C6—Cr1 | −55.4 (2) |
C5—Cr1—C4—C3 | −131.3 (2) | C7—C1—C6—Cr1 | 119.4 (2) |
C1—Cr1—C4—C3 | −65.47 (17) | C4—C5—C6—C1 | −0.6 (4) |
C2—Cr1—C4—C3 | −28.69 (16) | Cr1—C5—C6—C1 | −55.5 (2) |
C15—Cr1—C1—C6 | 48.2 (2) | C4—C5—C6—Cr1 | 54.9 (2) |
C16—Cr1—C1—C6 | −141.5 (3) | C15—Cr1—C6—C1 | −139.78 (17) |
C17—Cr1—C1—C6 | 135.03 (17) | C16—Cr1—C6—C1 | 136.7 (3) |
C5—Cr1—C1—C6 | −29.58 (16) | C17—Cr1—C6—C1 | −51.92 (19) |
C4—Cr1—C1—C6 | −65.96 (17) | C5—Cr1—C6—C1 | 131.6 (2) |
C2—Cr1—C1—C6 | −130.6 (2) | C4—Cr1—C6—C1 | 102.84 (18) |
C3—Cr1—C1—C6 | −102.32 (18) | C2—Cr1—C6—C1 | 30.09 (15) |
C15—Cr1—C1—C2 | 178.82 (16) | C3—Cr1—C6—C1 | 66.20 (16) |
C16—Cr1—C1—C2 | −10.9 (3) | C15—Cr1—C6—C5 | 88.65 (18) |
C17—Cr1—C1—C2 | −94.38 (17) | C16—Cr1—C6—C5 | 5.2 (4) |
C6—Cr1—C1—C2 | 130.6 (2) | C17—Cr1—C6—C5 | 176.51 (17) |
C5—Cr1—C1—C2 | 101.02 (17) | C4—Cr1—C6—C5 | −28.72 (16) |
C4—Cr1—C1—C2 | 64.64 (16) | C1—Cr1—C6—C5 | −131.6 (2) |
C3—Cr1—C1—C2 | 28.28 (15) | C2—Cr1—C6—C5 | −101.48 (18) |
C15—Cr1—C1—C7 | −71.7 (2) | C3—Cr1—C6—C5 | −65.37 (17) |
C16—Cr1—C1—C7 | 98.5 (3) | C6—C1—C7—O1 | −153.5 (3) |
C17—Cr1—C1—C7 | 15.1 (2) | C2—C1—C7—O1 | 21.4 (3) |
C6—Cr1—C1—C7 | −119.9 (3) | Cr1—C1—C7—O1 | −63.6 (3) |
C5—Cr1—C1—C7 | −149.5 (2) | C6—C1—C7—C8 | 27.2 (4) |
C4—Cr1—C1—C7 | 174.1 (2) | C2—C1—C7—C8 | −158.0 (2) |
C2—Cr1—C1—C7 | 109.5 (3) | Cr1—C1—C7—C8 | 117.0 (2) |
C3—Cr1—C1—C7 | 137.8 (2) | O1—C7—C8—C9 | −169.3 (2) |
C6—C1—C2—C3 | 0.8 (4) | C1—C7—C8—C9 | 10.1 (4) |
C7—C1—C2—C3 | −174.4 (2) | O1—C7—C8—C10 | 4.8 (4) |
Cr1—C1—C2—C3 | −54.1 (2) | C1—C7—C8—C10 | −175.9 (2) |
C6—C1—C2—Cr1 | 54.9 (2) | N2—C10—C8—C7 | 4.4 (4) |
C7—C1—C2—Cr1 | −120.3 (2) | C11—C10—C8—C7 | −176.3 (2) |
C15—Cr1—C2—C3 | 130.2 (3) | N2—C10—C8—C9 | 178.9 (2) |
C16—Cr1—C2—C3 | −52.4 (2) | C11—C10—C8—C9 | −1.9 (4) |
C17—Cr1—C2—C3 | −139.98 (17) | C11—C10—N2—C14 | −1.9 (4) |
C6—Cr1—C2—C3 | 102.98 (18) | C8—C10—N2—C14 | 177.5 (2) |
C5—Cr1—C2—C3 | 65.58 (17) | C10—N2—C14—C13 | 1.8 (4) |
C4—Cr1—C2—C3 | 28.98 (16) | N2—C14—C13—C12 | −0.1 (4) |
C1—Cr1—C2—C3 | 132.8 (2) | C11—C12—C13—C14 | −1.3 (4) |
C15—Cr1—C2—C1 | −2.7 (4) | C13—C12—C11—C10 | 1.2 (4) |
C16—Cr1—C2—C1 | 174.78 (16) | N2—C10—C11—C12 | 0.3 (4) |
C17—Cr1—C2—C1 | 87.21 (17) | C8—C10—C11—C12 | −179.0 (2) |