Dichloro­bis{2-[(triphenyl­meth­yl)amino]­pyridyl}cobalt(II)

In the title compound, [CoCl₂(C₂₄H₂₀N₂)₂], Co^II is coordinated in an approximately tetra­hedral geometry by two Cl atoms and two N atoms of the pyridine rings from two 2-[(triphenyl­meth­yl)imino]pyridyl ligands.

Key indicators

• Single-crystal X-ray study
• T = 150 K
• Mean [sigma](C-C) = 0.003 Å
• R factor = 0.039
• wR factor = 0.097
• Data-to-parameter ratio = 13.8

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT318_ALERT_2_C Check Hybridisation of  N2     in Main Residue .          ?

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   1 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
   1 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
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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Computing details

Data collection: APEX2 (Bruker, 2005); cell refinement: SAINT (Bruker, 2005); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1997); software used to prepare material for publication: SHELXTL.

Dichlorobis{2-[(triphenylmethyl)imino]pyridyl}cobalt(II)

Crystal data

[CoCl2(C24H20N2)2]	F(000) = 1668
Mr = 802.67	Dx = 1.372 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 19035 reflections
a = 9.920 (2) Å	θ = 1.0–30.0°
b = 22.620 (5) Å	µ = 0.62 mm^−1
c = 17.460 (4) Å	T = 150 K
β = 97.36 (3)°	Block, blue
V = 3885.6 (15) Å^3	0.35 × 0.34 × 0.30 mm
Z = 4

Data collection

Bruker APEXII CCD diffractometer	6823 independent reflections
Radiation source: fine-focus sealed tube	5433 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.081
ω scans	θmax = 25.0°, θmin = 2.7°
Absorption correction: multi-scan (SADABS; Sheldrick, 2003)	h = −11→11
Tmin = 0.812, Tmax = 0.836	k = −26→26
25600 measured reflections	l = −20→20

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)] = 0.039	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.098	H-atom parameters constrained
S = 1.02	w = 1/[σ^2(Fo^2) + (0.039P)^2 + 2.5598P] where P = (Fo^2 + 2Fc^2)/3
6823 reflections	(Δ/σ)max = 0.001
496 parameters	Δρmax = 0.69 e Å^−3
0 restraints	Δρmin = −0.52 e Å^−3

Special details

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.

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
Co1	0.70721 (3)	0.186000 (14)	0.673481 (17)	0.02327 (10)
Cl1	0.68790 (6)	0.10025 (3)	0.60866 (3)	0.02932 (15)
Cl2	0.88192 (7)	0.24252 (3)	0.64883 (4)	0.03773 (17)
N1	0.52808 (19)	0.23246 (9)	0.65478 (10)	0.0236 (4)
N2	0.62268 (18)	0.31205 (8)	0.72491 (10)	0.0222 (4)
H2A	0.7005	0.2963	0.7165	0.027*
N3	0.72435 (18)	0.16938 (8)	0.78980 (10)	0.0218 (4)
N4	0.53460 (18)	0.10888 (9)	0.77534 (10)	0.0231 (4)
H4A	0.5501	0.1059	0.7270	0.028*
C1	0.5085 (2)	0.28445 (10)	0.69112 (12)	0.0225 (5)
C2	0.3755 (2)	0.30661 (11)	0.69188 (13)	0.0244 (5)
H2B	0.3612	0.3419	0.7193	0.029*
C3	0.2672 (2)	0.27700 (11)	0.65295 (13)	0.0275 (5)
H3A	0.1775	0.2916	0.6536	0.033*
C4	0.2887 (2)	0.22557 (11)	0.61244 (13)	0.0302 (6)
H4B	0.2151	0.2053	0.5837	0.036*
C5	0.4189 (2)	0.20507 (11)	0.61526 (13)	0.0279 (5)
H5A	0.4337	0.1697	0.5881	0.033*
C6	0.6313 (2)	0.36542 (10)	0.77415 (12)	0.0209 (5)
C7	0.5425 (2)	0.35682 (10)	0.83968 (12)	0.0214 (5)
C8	0.4647 (2)	0.40136 (11)	0.86690 (13)	0.0237 (5)
H8A	0.4523	0.4377	0.8397	0.028*
C9	0.4050 (2)	0.39288 (11)	0.93402 (13)	0.0263 (5)
H9A	0.3535	0.4239	0.9528	0.032*
C10	0.4195 (2)	0.34000 (11)	0.97362 (13)	0.0267 (5)
H10A	0.3794	0.3347	1.0197	0.032*
C11	0.4934 (2)	0.29468 (11)	0.94530 (13)	0.0280 (5)
H11A	0.5022	0.2578	0.9715	0.034*
C12	0.5542 (2)	0.30301 (11)	0.87923 (13)	0.0251 (5)
H12A	0.6047	0.2717	0.8604	0.030*
C13	0.5995 (2)	0.42206 (11)	0.72563 (13)	0.0228 (5)
C14	0.6281 (2)	0.47723 (11)	0.75930 (14)	0.0271 (5)
H14A	0.6657	0.4795	0.8121	0.033*
C15	0.6028 (2)	0.52896 (11)	0.71702 (15)	0.0317 (6)
H15A	0.6210	0.5662	0.7412	0.038*
C16	0.5509 (3)	0.52626 (12)	0.63960 (15)	0.0359 (6)
H16A	0.5335	0.5615	0.6105	0.043*
C17	0.5247 (3)	0.47197 (12)	0.60522 (15)	0.0351 (6)
H17A	0.4895	0.4698	0.5521	0.042*
C18	0.5493 (2)	0.42024 (11)	0.64772 (13)	0.0269 (5)
H18A	0.5316	0.3831	0.6231	0.032*
C19	0.7815 (2)	0.36978 (10)	0.81091 (12)	0.0226 (5)
C20	0.8833 (2)	0.36785 (11)	0.76339 (14)	0.0277 (5)
H20A	0.8595	0.3640	0.7092	0.033*
C21	1.0189 (3)	0.37151 (12)	0.79374 (16)	0.0369 (6)
H21A	1.0875	0.3692	0.7605	0.044*
C22	1.0544 (3)	0.37847 (13)	0.87202 (16)	0.0413 (7)
H22A	1.1475	0.3803	0.8931	0.050*
C23	0.9545 (3)	0.38270 (13)	0.91973 (15)	0.0416 (7)
H23A	0.9789	0.3887	0.9736	0.050*
C24	0.8187 (3)	0.37825 (12)	0.88975 (14)	0.0327 (6)
H24A	0.7506	0.3810	0.9232	0.039*
C25	0.6301 (2)	0.13826 (10)	0.82401 (12)	0.0218 (5)
C26	0.6359 (2)	0.13716 (11)	0.90486 (12)	0.0247 (5)
H26A	0.5695	0.1161	0.9285	0.030*
C27	0.7383 (2)	0.16684 (11)	0.94924 (13)	0.0290 (6)
H27A	0.7421	0.1668	1.0039	0.035*
C28	0.8367 (2)	0.19697 (11)	0.91444 (14)	0.0295 (6)
H28A	0.9091	0.2170	0.9446	0.035*
C29	0.8263 (2)	0.19690 (11)	0.83554 (13)	0.0263 (5)
H29A	0.8938	0.2171	0.8116	0.032*
C30	0.4072 (2)	0.08126 (11)	0.79455 (12)	0.0227 (5)
C31	0.3339 (2)	0.12535 (11)	0.84251 (13)	0.0244 (5)
C32	0.3114 (2)	0.18246 (11)	0.81394 (14)	0.0301 (6)
H32A	0.3432	0.1930	0.7667	0.036*
C33	0.2440 (3)	0.22403 (12)	0.85273 (15)	0.0336 (6)
H33A	0.2278	0.2624	0.8315	0.040*
C34	0.2000 (2)	0.20986 (12)	0.92262 (15)	0.0342 (6)
H34A	0.1549	0.2385	0.9500	0.041*
C35	0.2227 (2)	0.15351 (12)	0.95189 (14)	0.0343 (6)
H35A	0.1927	0.1434	0.9997	0.041*
C36	0.2886 (2)	0.11150 (12)	0.91248 (13)	0.0287 (5)
H36A	0.3029	0.0729	0.9334	0.034*
C37	0.4344 (2)	0.02124 (11)	0.83545 (12)	0.0233 (5)
C38	0.3239 (2)	−0.01469 (11)	0.84641 (13)	0.0273 (5)
H38A	0.2345	−0.0023	0.8272	0.033*
C39	0.3430 (3)	−0.06814 (11)	0.88491 (13)	0.0299 (6)
H39A	0.2666	−0.0915	0.8933	0.036*
C40	0.4729 (3)	−0.08767 (11)	0.91121 (13)	0.0300 (6)
H40A	0.4862	−0.1246	0.9371	0.036*
C41	0.5831 (2)	−0.05303 (11)	0.89949 (13)	0.0288 (6)
H41A	0.6725	−0.0661	0.9177	0.035*
C42	0.5640 (2)	0.00078 (11)	0.86119 (12)	0.0256 (5)
H42A	0.6407	0.0238	0.8525	0.031*
C43	0.3218 (2)	0.06899 (10)	0.71549 (13)	0.0249 (5)
C44	0.3816 (2)	0.03749 (11)	0.65995 (13)	0.0292 (6)
H44A	0.4713	0.0225	0.6721	0.035*
C45	0.3111 (3)	0.02787 (12)	0.58710 (14)	0.0336 (6)
H45A	0.3538	0.0077	0.5490	0.040*
C46	0.1783 (3)	0.04760 (12)	0.56981 (15)	0.0355 (6)
H46A	0.1304	0.0415	0.5197	0.043*
C47	0.1165 (3)	0.07601 (12)	0.62565 (15)	0.0357 (6)
H47A	0.0244	0.0882	0.6146	0.043*
C48	0.1876 (2)	0.08709 (11)	0.69828 (14)	0.0293 (6)
H48A	0.1441	0.1071	0.7362	0.035*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Co1	0.02553 (18)	0.02205 (19)	0.02354 (17)	−0.00188 (14)	0.00817 (12)	−0.00120 (13)
Cl1	0.0348 (3)	0.0258 (3)	0.0285 (3)	−0.0020 (3)	0.0083 (2)	−0.0045 (2)
Cl2	0.0391 (4)	0.0352 (4)	0.0436 (4)	−0.0125 (3)	0.0234 (3)	−0.0099 (3)
N1	0.0285 (10)	0.0217 (11)	0.0206 (9)	−0.0029 (9)	0.0036 (8)	0.0002 (8)
N2	0.0198 (9)	0.0210 (10)	0.0264 (10)	0.0012 (8)	0.0050 (7)	−0.0023 (8)
N3	0.0194 (10)	0.0207 (10)	0.0261 (10)	0.0009 (8)	0.0058 (8)	0.0000 (8)
N4	0.0242 (10)	0.0261 (11)	0.0199 (9)	−0.0066 (9)	0.0060 (7)	0.0010 (8)
C1	0.0281 (12)	0.0202 (13)	0.0194 (11)	−0.0012 (10)	0.0039 (9)	0.0042 (9)
C2	0.0266 (12)	0.0219 (13)	0.0247 (12)	0.0005 (10)	0.0031 (9)	0.0051 (10)
C3	0.0243 (12)	0.0287 (14)	0.0290 (12)	0.0010 (11)	0.0009 (9)	0.0091 (11)
C4	0.0304 (13)	0.0282 (14)	0.0300 (13)	−0.0070 (11)	−0.0038 (10)	0.0055 (11)
C5	0.0347 (14)	0.0241 (13)	0.0238 (12)	−0.0043 (11)	−0.0001 (10)	−0.0003 (10)
C6	0.0228 (11)	0.0176 (12)	0.0228 (11)	−0.0006 (10)	0.0052 (9)	−0.0012 (9)
C7	0.0199 (11)	0.0220 (13)	0.0226 (11)	−0.0014 (10)	0.0037 (8)	0.0005 (9)
C8	0.0217 (12)	0.0223 (13)	0.0271 (12)	−0.0010 (10)	0.0031 (9)	0.0022 (10)
C9	0.0201 (12)	0.0285 (14)	0.0309 (12)	0.0003 (10)	0.0063 (9)	−0.0047 (11)
C10	0.0245 (12)	0.0329 (14)	0.0239 (12)	−0.0059 (11)	0.0072 (9)	−0.0019 (11)
C11	0.0298 (13)	0.0269 (14)	0.0276 (12)	−0.0044 (11)	0.0053 (10)	0.0065 (10)
C12	0.0278 (12)	0.0206 (13)	0.0281 (12)	0.0014 (10)	0.0078 (9)	0.0003 (10)
C13	0.0170 (11)	0.0248 (13)	0.0285 (12)	0.0002 (10)	0.0101 (9)	0.0045 (10)
C14	0.0286 (12)	0.0238 (13)	0.0299 (12)	−0.0011 (11)	0.0080 (10)	0.0002 (10)
C15	0.0275 (13)	0.0215 (13)	0.0488 (16)	−0.0002 (11)	0.0149 (11)	0.0049 (12)
C16	0.0308 (13)	0.0315 (16)	0.0469 (16)	0.0043 (12)	0.0104 (11)	0.0179 (13)
C17	0.0326 (14)	0.0395 (17)	0.0331 (14)	−0.0029 (12)	0.0038 (11)	0.0125 (12)
C18	0.0263 (12)	0.0259 (14)	0.0297 (13)	−0.0044 (11)	0.0079 (10)	0.0038 (10)
C19	0.0236 (12)	0.0160 (12)	0.0283 (12)	−0.0011 (9)	0.0038 (9)	0.0019 (10)
C20	0.0271 (13)	0.0253 (14)	0.0317 (13)	−0.0030 (11)	0.0074 (10)	−0.0016 (11)
C21	0.0251 (13)	0.0341 (16)	0.0533 (17)	−0.0032 (12)	0.0115 (11)	−0.0071 (13)
C22	0.0251 (13)	0.0406 (17)	0.0555 (18)	−0.0045 (12)	−0.0055 (12)	0.0026 (14)
C23	0.0384 (16)	0.0490 (18)	0.0339 (14)	−0.0097 (14)	−0.0085 (12)	0.0043 (13)
C24	0.0311 (13)	0.0382 (16)	0.0286 (13)	−0.0050 (12)	0.0033 (10)	0.0008 (11)
C25	0.0209 (11)	0.0195 (12)	0.0256 (11)	0.0012 (10)	0.0050 (9)	0.0005 (10)
C26	0.0229 (12)	0.0256 (13)	0.0263 (12)	−0.0004 (10)	0.0056 (9)	0.0016 (10)
C27	0.0317 (13)	0.0321 (14)	0.0233 (12)	0.0031 (11)	0.0035 (10)	−0.0009 (10)
C28	0.0236 (12)	0.0322 (15)	0.0321 (13)	−0.0051 (11)	0.0008 (10)	−0.0033 (11)
C29	0.0208 (12)	0.0274 (14)	0.0311 (13)	−0.0016 (10)	0.0047 (9)	−0.0013 (10)
C30	0.0208 (11)	0.0232 (13)	0.0246 (12)	−0.0026 (10)	0.0043 (9)	0.0036 (10)
C31	0.0202 (11)	0.0252 (13)	0.0276 (12)	−0.0043 (10)	0.0025 (9)	0.0000 (10)
C32	0.0304 (13)	0.0278 (14)	0.0327 (13)	−0.0023 (11)	0.0064 (10)	0.0047 (11)
C33	0.0327 (14)	0.0254 (14)	0.0427 (15)	0.0015 (11)	0.0052 (11)	0.0016 (12)
C34	0.0272 (13)	0.0326 (15)	0.0445 (15)	0.0012 (12)	0.0110 (11)	−0.0076 (12)
C35	0.0302 (13)	0.0394 (16)	0.0358 (14)	−0.0005 (12)	0.0137 (11)	0.0008 (12)
C36	0.0280 (13)	0.0287 (14)	0.0302 (13)	0.0004 (11)	0.0069 (10)	0.0036 (11)
C37	0.0259 (12)	0.0233 (13)	0.0210 (11)	−0.0007 (10)	0.0049 (9)	0.0014 (10)
C38	0.0258 (12)	0.0272 (14)	0.0291 (12)	−0.0036 (11)	0.0039 (9)	0.0043 (10)
C39	0.0326 (14)	0.0269 (14)	0.0315 (13)	−0.0056 (11)	0.0085 (10)	0.0045 (11)
C40	0.0393 (14)	0.0241 (13)	0.0275 (12)	0.0032 (11)	0.0076 (10)	0.0055 (10)
C41	0.0295 (13)	0.0308 (14)	0.0266 (12)	0.0052 (11)	0.0051 (10)	0.0037 (11)
C42	0.0275 (13)	0.0261 (13)	0.0244 (12)	−0.0016 (11)	0.0082 (9)	−0.0001 (10)
C43	0.0271 (12)	0.0211 (13)	0.0262 (12)	−0.0072 (10)	0.0026 (9)	0.0058 (10)
C44	0.0298 (13)	0.0253 (14)	0.0323 (13)	−0.0034 (11)	0.0030 (10)	−0.0002 (11)
C45	0.0430 (15)	0.0284 (15)	0.0290 (13)	−0.0050 (12)	0.0033 (11)	−0.0007 (11)
C46	0.0406 (15)	0.0318 (15)	0.0313 (14)	−0.0101 (12)	−0.0067 (11)	0.0043 (12)
C47	0.0299 (13)	0.0343 (16)	0.0405 (15)	−0.0043 (12)	−0.0046 (11)	0.0064 (12)
C48	0.0270 (13)	0.0266 (14)	0.0342 (13)	−0.0024 (11)	0.0035 (10)	0.0038 (11)

Geometric parameters (Å, º)

Co1—Cl1	2.2415 (8)	C21—C22	1.376 (4)
Co1—Cl2	2.2394 (8)	C21—H21A	0.950
Co1—N1	2.054 (2)	C22—C23	1.378 (4)
Co1—N3	2.0510 (18)	C22—H22A	0.950
N1—C5	1.357 (3)	C23—C24	1.385 (4)
N1—C1	1.362 (3)	C23—H23A	0.950
N2—C1	1.360 (3)	C24—H24A	0.950
N2—C6	1.478 (3)	C25—C26	1.406 (3)
N2—H2A	0.880	C26—C27	1.372 (3)
N3—C29	1.357 (3)	C26—H26A	0.950
N3—C25	1.367 (3)	C27—C28	1.392 (4)
N4—C25	1.362 (3)	C27—H27A	0.950
N4—C30	1.486 (3)	C28—C29	1.368 (3)
N4—H4A	0.880	C28—H28A	0.950
C1—C2	1.414 (3)	C29—H29A	0.950
C2—C3	1.370 (3)	C30—C37	1.542 (3)
C2—H2B	0.950	C30—C31	1.543 (3)
C3—C4	1.392 (4)	C30—C43	1.550 (3)
C3—H3A	0.950	C31—C36	1.391 (3)
C4—C5	1.367 (4)	C31—C32	1.392 (3)
C4—H4B	0.950	C32—C33	1.381 (4)
C5—H5A	0.950	C32—H32A	0.950
C6—C7	1.543 (3)	C33—C34	1.385 (4)
C6—C13	1.546 (3)	C33—H33A	0.950
C6—C19	1.548 (3)	C34—C35	1.381 (4)
C7—C8	1.389 (3)	C34—H34A	0.950
C7—C12	1.397 (3)	C35—C36	1.385 (4)
C8—C9	1.393 (3)	C35—H35A	0.950
C8—H8A	0.950	C36—H36A	0.950
C9—C10	1.380 (4)	C37—C42	1.386 (3)
C9—H9A	0.950	C37—C38	1.398 (3)
C10—C11	1.388 (4)	C38—C39	1.385 (3)
C10—H10A	0.950	C38—H38A	0.950
C11—C12	1.381 (3)	C39—C40	1.384 (3)
C11—H11A	0.950	C39—H39A	0.950
C12—H12A	0.950	C40—C41	1.381 (4)
C13—C18	1.388 (3)	C40—H40A	0.950
C13—C14	1.393 (3)	C41—C42	1.390 (3)
C14—C15	1.389 (3)	C41—H41A	0.950
C14—H14A	0.950	C42—H42A	0.950
C15—C16	1.385 (4)	C43—C48	1.388 (3)
C15—H15A	0.950	C43—C44	1.396 (3)
C16—C17	1.377 (4)	C44—C45	1.388 (3)
C16—H16A	0.950	C44—H44A	0.950
C17—C18	1.390 (4)	C45—C46	1.387 (4)
C17—H17A	0.950	C45—H45A	0.950
C18—H18A	0.950	C46—C47	1.376 (4)
C19—C20	1.387 (3)	C46—H46A	0.950
C19—C24	1.392 (3)	C47—C48	1.393 (3)
C20—C21	1.384 (3)	C47—H47A	0.950
C20—H20A	0.950	C48—H48A	0.950
Cl1—Co1—Cl2	114.53 (3)	C21—C22—C23	119.7 (2)
Cl1—Co1—N1	110.26 (6)	C21—C22—H22A	120.1
Cl1—Co1—N3	109.41 (6)	C23—C22—H22A	120.1
Cl2—Co1—N1	110.63 (6)	C22—C23—C24	120.5 (2)
Cl2—Co1—N3	109.08 (6)	C22—C23—H23A	119.8
N1—Co1—N3	102.21 (8)	C24—C23—H23A	119.8
C5—N1—C1	118.6 (2)	C23—C24—C19	120.4 (2)
C5—N1—Co1	117.71 (16)	C23—C24—H24A	119.8
C1—N1—Co1	122.66 (14)	C19—C24—H24A	119.8
C1—N2—C6	127.61 (19)	N4—C25—N3	116.01 (19)
C1—N2—H2A	116.2	N4—C25—C26	123.6 (2)
C6—N2—H2A	116.2	N3—C25—C26	120.4 (2)
C29—N3—C25	118.62 (19)	C27—C26—C25	119.4 (2)
C29—N3—Co1	117.36 (16)	C27—C26—H26A	120.3
C25—N3—Co1	123.53 (14)	C25—C26—H26A	120.3
C25—N4—C30	127.44 (18)	C26—C27—C28	120.2 (2)
C25—N4—H4A	116.3	C26—C27—H27A	119.9
C30—N4—H4A	116.3	C28—C27—H27A	119.9
N2—C1—N1	116.0 (2)	C29—C28—C27	118.2 (2)
N2—C1—C2	124.0 (2)	C29—C28—H28A	120.9
N1—C1—C2	120.0 (2)	C27—C28—H28A	120.9
C3—C2—C1	119.7 (2)	N3—C29—C28	123.2 (2)
C3—C2—H2B	120.2	N3—C29—H29A	118.4
C1—C2—H2B	120.2	C28—C29—H29A	118.4
C2—C3—C4	119.9 (2)	N4—C30—C37	111.81 (18)
C2—C3—H3A	120.0	N4—C30—C31	108.93 (18)
C4—C3—H3A	120.0	C37—C30—C31	112.61 (18)
C5—C4—C3	118.1 (2)	N4—C30—C43	104.97 (17)
C5—C4—H4B	120.9	C37—C30—C43	107.35 (18)
C3—C4—H4B	120.9	C31—C30—C43	110.90 (18)
N1—C5—C4	123.5 (2)	C36—C31—C32	118.0 (2)
N1—C5—H5A	118.2	C36—C31—C30	124.0 (2)
C4—C5—H5A	118.2	C32—C31—C30	118.0 (2)
N2—C6—C7	109.40 (18)	C33—C32—C31	121.4 (2)
N2—C6—C13	111.44 (17)	C33—C32—H32A	119.3
C7—C6—C13	114.50 (18)	C31—C32—H32A	119.3
N2—C6—C19	105.92 (18)	C32—C33—C34	120.1 (2)
C7—C6—C19	108.13 (17)	C32—C33—H33A	119.9
C13—C6—C19	107.02 (18)	C34—C33—H33A	119.9
C8—C7—C12	118.5 (2)	C35—C34—C33	119.0 (2)
C8—C7—C6	123.8 (2)	C35—C34—H34A	120.5
C12—C7—C6	117.2 (2)	C33—C34—H34A	120.5
C7—C8—C9	120.2 (2)	C34—C35—C36	120.9 (2)
C7—C8—H8A	119.9	C34—C35—H35A	119.5
C9—C8—H8A	119.9	C36—C35—H35A	119.5
C10—C9—C8	120.8 (2)	C35—C36—C31	120.5 (2)
C10—C9—H9A	119.6	C35—C36—H36A	119.7
C8—C9—H9A	119.6	C31—C36—H36A	119.7
C9—C10—C11	119.2 (2)	C42—C37—C38	118.2 (2)
C9—C10—H10A	120.4	C42—C37—C30	123.0 (2)
C11—C10—H10A	120.4	C38—C37—C30	118.8 (2)
C12—C11—C10	120.3 (2)	C39—C38—C37	120.9 (2)
C12—C11—H11A	119.9	C39—C38—H38A	119.6
C10—C11—H11A	119.9	C37—C38—H38A	119.6
C11—C12—C7	120.9 (2)	C40—C39—C38	120.2 (2)
C11—C12—H12A	119.5	C40—C39—H39A	119.9
C7—C12—H12A	119.5	C38—C39—H39A	119.9
C18—C13—C14	117.9 (2)	C41—C40—C39	119.4 (2)
C18—C13—C6	122.3 (2)	C41—C40—H40A	120.3
C14—C13—C6	119.65 (19)	C39—C40—H40A	120.3
C15—C14—C13	121.1 (2)	C40—C41—C42	120.4 (2)
C15—C14—H14A	119.4	C40—C41—H41A	119.8
C13—C14—H14A	119.4	C42—C41—H41A	119.8
C16—C15—C14	120.1 (2)	C37—C42—C41	120.8 (2)
C16—C15—H15A	120.0	C37—C42—H42A	119.6
C14—C15—H15A	120.0	C41—C42—H42A	119.6
C17—C16—C15	119.4 (2)	C48—C43—C44	118.8 (2)
C17—C16—H16A	120.3	C48—C43—C30	122.7 (2)
C15—C16—H16A	120.3	C44—C43—C30	118.5 (2)
C16—C17—C18	120.5 (2)	C45—C44—C43	120.5 (2)
C16—C17—H17A	119.8	C45—C44—H44A	119.8
C18—C17—H17A	119.8	C43—C44—H44A	119.8
C13—C18—C17	121.0 (2)	C46—C45—C44	120.2 (2)
C13—C18—H18A	119.5	C46—C45—H45A	119.9
C17—C18—H18A	119.5	C44—C45—H45A	119.9
C20—C19—C24	118.3 (2)	C47—C46—C45	119.6 (2)
C20—C19—C6	119.04 (19)	C47—C46—H46A	120.2
C24—C19—C6	122.6 (2)	C45—C46—H46A	120.2
C21—C20—C19	121.0 (2)	C46—C47—C48	120.6 (2)
C21—C20—H20A	119.5	C46—C47—H47A	119.7
C19—C20—H20A	119.5	C48—C47—H47A	119.7
C22—C21—C20	120.0 (2)	C43—C48—C47	120.3 (2)
C22—C21—H21A	120.0	C43—C48—H48A	119.9
C20—C21—H21A	120.0	C47—C48—H48A	119.9