Cyclo­pentyl{2-[(2,6-diiso­propyl­phenyl)­amino]-4-[(2,6-diiso­propyl­phenyl)­imino]­pent-2-enato-κ2N,N′}(tetra­hydro­furan-κO)­magnesium(II)

Ballem, K.H.D.; Smith, K.M.; Patrick, B.O.

doi:10.1107/S1600536804005148

Cyclopentyl{2-[(2,6-diisopropylphenyl)amino]-4-[(2,6-diisopropylphenyl)imino]pent-2-enato-κ²N,N′}(tetrahydrofuran-κO)magnesium(II)

K. H. D. Ballem, K. M. Smith and B. O. Patrick

The title compound, [Mg(C₂₉H₄₁N₂)(C₅H₉)(C₄H₈O)], has tetrahedral coordination geometry around Mg, from three ligands. The material crystallizes in the monoclinic space group P2₁ and the data were obtained from a composite of two crystals. A previously reported structure of a chemically different, but structurally similar, compound is also discussed.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804005148/fl6073sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536804005148/fl6073Isup2.hkl Contains datablock I

CCDC reference: 238648

checkCIF report

Key indicators

Single-crystal X-ray study
T = 173 K
Mean (C-C) = 0.005 Å
R factor = 0.051
wR factor = 0.122
Data-to-parameter ratio = 14.5

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT035_ALERT_1_A No _chemical_absolute_configuration info given .          ?
PLAT222_ALERT_3_A Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       5.22 Ratio

Alert level B
PLAT201_ALERT_2_B Isotropic non-H Atoms in Main Residue(s) .......          4
PLAT220_ALERT_2_B Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       4.36 Ratio

Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
            Tmin and Tmax reported:      0.632     0.849
            Tmin' and Tmax expected:      0.960     0.984
            RR' =      0.763
            Please check that your absorption correction is appropriate.
PLAT024_ALERT_4_C Merging of Friedel Data Preferred for Z<=Si ....          !
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.97
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large .............       0.76
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       1.16
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....        C33
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....       C31B
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....       C33B
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....       C36B
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C24
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C32
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....       C32B
PLAT301_ALERT_3_C Main Residue  Disorder .........................      11.00 Perc.
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          5
PLAT701_ALERT_1_C Bond    Calc    2.069(2), Rep    2.066(2), Dev..       1.50 Sigma
              N1   -MG1     1.555   1.555

Alert level G
ABSTM02_ALERT_3_G  When printed, the submitted absorption T values will be
            replaced by the scaled T values. Since the ratio of scaled T's
            is identical to the ratio of reported T values, the scaling
            does not imply a change to the absorption corrections used in
            the study.
            Ratio of Tmax expected/reported      1.160
            Tmax scaled      0.984 Tmin scaled      0.733
REFLT03_ALERT_4_G  ALERT: MoKa measured Friedel data cannot be used to
                   determine absolute structure in a light-atom
                   study EXCEPT under VERY special conditions.
                   It is preferred that Friedel data is merged in such cases.
           From the CIF: _diffrn_reflns_theta_max           25.05
           From the CIF: _reflns_number_total               6009
           Count of symmetry unique reflns         3272
           Completeness (_total/calc)            183.65%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      2737
           Fraction of Friedel pairs measured     0.836
           Are heavy atom types Z>Si present           no

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

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

Computing details top

Data collection: D*TREK (Molecular Structure Corporation, 2001); cell refinement: CrystalClear (Rigaku/MSC, 2003); data reduction: CrystalClear; program(s) used to solve structure: SHELXL97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).

Cyclopentyl{2-[(2,6-diisopropylphenyl)amino]-4-[(2,6- diisopropylphenyl)imino]pent-2-enato-κ²N,N'}(tetrahydrofuran- κO)magnesium(II) top

Crystal data top

[Mg(C₂₉H₄₁N₂)(C₅H₉)(C₄H₈O)]	F(000) = 640
M_r = 583.17	D_x = 1.085 Mg m⁻³
Monoclinic, P2₁	Mo Kα radiation, λ = 0.71073 Å
a = 9.8292 (7) Å	Cell parameters from 5264 reflections
b = 16.631 (1) Å	θ = 1.9–25.3°
c = 11.5822 (8) Å	µ = 0.08 mm⁻¹
β = 109.52 (1)°	T = 173 K
V = 1784.5 (2) Å³	Irregular, red
Z = 2	0.50 × 0.20 × 0.20 mm

Data collection top

Rigaku/ADSC CCD area-detector diffractometer	6009 independent reflections
Radiation source: fine-focus sealed tube	4812 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.049
Detector resolution: 11.76 pixels mm^-1	θ_max = 25.1°, θ_min = 2.2°
area detector scans	h = 0→11
Absorption correction: multi-scan (Blessing, 1995)	k = −19→18
T_min = 0.632, T_max = 0.849	l = −13→12
25493 measured reflections

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)] = 0.051	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.122	H atoms treated by a mixture of independent and constrained refinement
S = 0.97	w = 1/[σ²(F_o²) + (0.0799)²] where P = (F_o² + 2F_c²)/3
6009 reflections	(Δ/σ)_max = 0.001
414 parameters	Δρ_max = 0.40 e Å⁻³
16 restraints	Δρ_min = −0.29 e Å⁻³

Special details top

Experimental. Data were collected in 0.50° oscillations with 35.0 s exposures. A sweep of data was done using φ oscillations from 0.0 to 190.0° at χ = -90° and a second sweep was performed using ω oscillations between -17.0 and 23.0° at χ = 90.0°. The crystal-to-detector distance was 38.44 mm. The detector swing angle was -5.60°. The absorption correction is based on a three-dimensional analysis of symmetry-equivalent data and is performed along with batch scaling in a single step. The resulting transmission factors, therefore, include contributions from absorption, crystal decay, and detectable variations in beam intensity.

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.

The structure was solved using an HKLF4 format data set containing only non-overlapped reflections from the major twin component. Refinements were carried out using an HKLF5 format data set with data (both overlapped and non-overlapped) from the major twin component.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq	Occ. (<1)
C1	0.1135 (3)	0.07459 (19)	0.4818 (2)	0.0180 (6)
C2	0.2558 (3)	0.0815 (2)	0.5675 (2)	0.0215 (6)
C3	0.2941 (3)	0.0331 (2)	0.6701 (3)	0.0293 (7)
H3	0.3875	0.0388	0.7296	0.035*
C4	0.2002 (3)	−0.0236 (2)	0.6888 (3)	0.0324 (8)
H4	0.2287	−0.0562	0.7603	0.039*
C5	0.0652 (3)	−0.0321 (2)	0.6025 (3)	0.0281 (7)
H5	0.0016	−0.0719	0.6144	0.034*
C6	0.0197 (3)	0.01579 (19)	0.4991 (3)	0.0213 (6)
C7	0.3641 (3)	0.1399 (2)	0.5450 (3)	0.0265 (7)
H7	0.3457	0.1403	0.4546	0.032*
C8	0.5196 (4)	0.1125 (3)	0.6059 (4)	0.0532 (11)
H8A	0.5463	0.1182	0.6950	0.080*
H8B	0.5838	0.1456	0.5765	0.080*
H8C	0.5287	0.0560	0.5854	0.080*
C9	0.3448 (4)	0.2251 (2)	0.5813 (4)	0.0463 (10)
H9A	0.2484	0.2444	0.5326	0.069*
H9B	0.4182	0.2597	0.5664	0.069*
H9C	0.3554	0.2268	0.6685	0.069*
C10	−0.1286 (3)	0.0012 (2)	0.4048 (3)	0.0277 (7)
H10	−0.1472	0.0450	0.3423	0.033*
C11	−0.1323 (4)	−0.0780 (2)	0.3393 (3)	0.0399 (9)
H11A	−0.0520	−0.0801	0.3070	0.060*
H11B	−0.2240	−0.0828	0.2715	0.060*
H11C	−0.1234	−0.1225	0.3969	0.060*
C12	−0.2484 (4)	0.0050 (3)	0.4629 (4)	0.0459 (10)
H12A	−0.2387	−0.0407	0.5185	0.069*
H12B	−0.3430	0.0029	0.3982	0.069*
H12C	−0.2399	0.0554	0.5089	0.069*
C13	−0.0497 (3)	0.2111 (2)	0.4848 (3)	0.0239 (7)
H13A	−0.1266	0.1730	0.4827	0.036*
H13B	−0.0874	0.2662	0.4782	0.036*
H13C	0.0304	0.2051	0.5622	0.036*
C14	0.0039 (3)	0.19429 (18)	0.3784 (2)	0.0165 (6)
C15	−0.0218 (3)	0.25502 (19)	0.2894 (2)	0.0188 (6)
H15	−0.0899	0.2949	0.2921	0.023*
C16	0.0402 (3)	0.26471 (19)	0.1959 (2)	0.0196 (6)
C17	0.0201 (4)	0.3472 (2)	0.1363 (3)	0.0320 (8)
H17A	0.0668	0.3485	0.0735	0.048*	0.50
H17B	0.0637	0.3882	0.1987	0.048*	0.50
H17C	−0.0833	0.3584	0.0982	0.048*	0.50
H17D	−0.0353	0.3815	0.1734	0.048*	0.50
H17E	−0.0323	0.3418	0.0482	0.048*	0.50
H17F	0.1148	0.3716	0.1487	0.048*	0.50
C18	0.1948 (3)	0.2300 (2)	0.0837 (3)	0.0208 (6)
C19	0.3355 (3)	0.2600 (2)	0.1380 (3)	0.0272 (7)
C20	0.4150 (4)	0.2794 (2)	0.0627 (3)	0.0342 (8)
H20	0.5096	0.3007	0.0982	0.041*
C21	0.3596 (4)	0.2683 (2)	−0.0627 (3)	0.0390 (9)
H21	0.4154	0.2824	−0.1128	0.047*
C22	0.2241 (4)	0.2369 (2)	−0.1143 (3)	0.0353 (8)
H22	0.1875	0.2285	−0.2004	0.042*
C23	0.1376 (3)	0.2170 (2)	−0.0436 (3)	0.0257 (7)
C24	0.4050 (3)	0.2704 (2)	0.2762 (3)	0.0318 (8)
H24	0.3356	0.2488	0.3150	0.038*
C25	0.5417 (4)	0.2212 (4)	0.3242 (4)	0.0658 (13)
H25A	0.5201	0.1647	0.3011	0.099*
H25B	0.5807	0.2257	0.4137	0.099*
H25C	0.6130	0.2413	0.2889	0.099*
C26	0.4317 (6)	0.3591 (3)	0.3135 (4)	0.0667 (13)
H26A	0.5020	0.3819	0.2792	0.100*
H26B	0.4694	0.3633	0.4031	0.100*
H26C	0.3406	0.3890	0.2820	0.100*
C27	−0.0131 (4)	0.1836 (2)	−0.1057 (3)	0.0340 (8)
H27	−0.0564	0.1710	−0.0409	0.041*
C28	−0.0107 (4)	0.1067 (2)	−0.1760 (3)	0.0490 (10)
H28A	−0.1082	0.0839	−0.2070	0.073*
H28B	0.0550	0.0678	−0.1214	0.073*
H28C	0.0228	0.1187	−0.2450	0.073*
C29	−0.1102 (4)	0.2458 (3)	−0.1936 (4)	0.0525 (10)
H29A	−0.1130	0.2953	−0.1484	0.079*
H29B	−0.2081	0.2241	−0.2289	0.079*
H29C	−0.0713	0.2577	−0.2594	0.079*
C31	0.3244 (9)	−0.0503 (5)	0.2850 (6)	0.036 (3)*	0.522 (14)
H31A	0.2773	−0.0844	0.3308	0.043*	0.522 (14)
H31B	0.3877	−0.0108	0.3422	0.043*	0.522 (14)
C32	0.4130 (8)	−0.1030 (4)	0.2237 (8)	0.029 (2)*	0.522 (14)
H32A	0.5092	−0.1159	0.2834	0.035*	0.522 (14)
H32B	0.3616	−0.1539	0.1925	0.035*	0.522 (14)
C33	0.4278 (10)	−0.0539 (6)	0.1210 (7)	0.055 (3)*	0.522 (14)
H33A	0.3969	−0.0841	0.0427	0.065*	0.522 (14)
H33B	0.5280	−0.0345	0.1385	0.065*	0.522 (14)
C34	0.3234 (8)	0.0156 (5)	0.1196 (8)	0.043 (2)*	0.522 (14)
H34A	0.3795	0.0625	0.1631	0.051*	0.522 (14)
H34B	0.2720	0.0318	0.0337	0.051*	0.522 (14)
C35	−0.2523 (4)	0.1147 (2)	0.0974 (3)	0.0411 (9)
H35A	−0.2259	0.1724	0.1081	0.049*
H35B	−0.2966	0.0992	0.1595	0.049*
C36	−0.3541 (8)	0.0991 (5)	−0.0289 (8)	0.036 (3)	0.58 (2)
H36A	−0.4557	0.1063	−0.0329	0.043*	0.58 (2)
H36B	−0.3342	0.1354	−0.0893	0.043*	0.58 (2)
C37	−0.3244 (4)	0.0137 (3)	−0.0514 (4)	0.0598 (12)
H37A	−0.3345	0.0055	−0.1387	0.072*
H37B	−0.3927	−0.0227	−0.0306	0.072*
C38	−0.1731 (4)	−0.0031 (2)	0.0289 (3)	0.0382 (8)
H38A	−0.1693	−0.0526	0.0775	0.046*
H38B	−0.1096	−0.0104	−0.0212	0.046*
N1	0.0724 (2)	0.12570 (16)	0.3755 (2)	0.0148 (5)
N2	0.1113 (3)	0.20795 (17)	0.1606 (2)	0.0181 (5)
C30	0.2130 (4)	−0.0081 (2)	0.1802 (4)	0.0436 (9)
O2	−0.1269 (2)	0.06588 (16)	0.10907 (19)	0.0297 (5)
Mg1	0.08982 (10)	0.09038 (12)	0.20977 (8)	0.0180 (2)
C31B	0.2966 (14)	−0.0524 (7)	0.2966 (7)	0.064 (5)*	0.478 (14)
H31C	0.2304	−0.0852	0.3259	0.077*	0.478 (14)
H31D	0.3476	−0.0138	0.3619	0.077*	0.478 (14)
C32B	0.4071 (10)	−0.1075 (6)	0.2645 (10)	0.047 (3)*	0.478 (14)
H32C	0.5075	−0.0942	0.3154	0.056*	0.478 (14)
H32D	0.3884	−0.1651	0.2758	0.056*	0.478 (14)
C33B	0.3799 (13)	−0.0883 (7)	0.1317 (8)	0.072 (4)*	0.478 (14)
H33C	0.3348	−0.1358	0.0818	0.086*	0.478 (14)
H33D	0.4740	−0.0789	0.1199	0.086*	0.478 (14)
C34B	0.2818 (12)	−0.0141 (7)	0.0829 (8)	0.059 (3)*	0.478 (14)
H34C	0.3387	0.0346	0.0799	0.070*	0.478 (14)
H34D	0.2097	−0.0241	0.0009	0.070*	0.478 (14)
C36B	−0.3760 (11)	0.0715 (9)	0.038 (2)	0.068 (7)	0.42 (2)
H36C	−0.361 (12)	0.029 (6)	0.100 (10)	0.12 (4)*	0.42 (2)
H36D	−0.467 (7)	0.100 (6)	0.027 (11)	0.12 (4)*	0.42 (2)
H30	0.142 (5)	−0.052 (3)	0.124 (5)	0.090 (16)*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
C1	0.0201 (14)	0.0182 (16)	0.0181 (14)	0.0031 (11)	0.0096 (12)	−0.0008 (11)
C2	0.0222 (15)	0.0251 (16)	0.0192 (15)	0.0016 (13)	0.0096 (12)	−0.0005 (13)
C3	0.0174 (16)	0.044 (2)	0.0238 (17)	0.0033 (14)	0.0037 (14)	0.0045 (14)
C4	0.036 (2)	0.0345 (19)	0.0262 (18)	0.0088 (15)	0.0100 (16)	0.0165 (14)
C5	0.0284 (18)	0.0256 (17)	0.0349 (19)	0.0013 (13)	0.0166 (16)	0.0091 (14)
C6	0.0236 (16)	0.0168 (15)	0.0284 (17)	−0.0003 (12)	0.0151 (14)	−0.0005 (12)
C7	0.0201 (16)	0.0379 (18)	0.0212 (17)	−0.0070 (13)	0.0067 (14)	0.0006 (13)
C8	0.0228 (19)	0.080 (3)	0.055 (2)	−0.0030 (18)	0.0106 (18)	0.023 (2)
C9	0.046 (2)	0.048 (2)	0.050 (2)	−0.0213 (18)	0.0233 (19)	−0.0174 (18)
C10	0.0244 (17)	0.0235 (16)	0.0353 (18)	−0.0063 (13)	0.0101 (15)	0.0051 (13)
C11	0.041 (2)	0.036 (2)	0.039 (2)	−0.0136 (16)	0.0079 (17)	−0.0061 (16)
C12	0.0253 (19)	0.056 (2)	0.060 (3)	−0.0072 (16)	0.0191 (18)	−0.0017 (19)
C13	0.0270 (17)	0.0272 (16)	0.0208 (16)	−0.0017 (13)	0.0121 (13)	0.0012 (12)
C14	0.0162 (15)	0.0156 (15)	0.0175 (14)	−0.0050 (11)	0.0054 (12)	−0.0047 (11)
C15	0.0211 (15)	0.0171 (15)	0.0207 (15)	0.0010 (11)	0.0103 (13)	−0.0024 (11)
C16	0.0211 (15)	0.0199 (15)	0.0184 (15)	−0.0022 (12)	0.0073 (13)	−0.0031 (11)
C17	0.051 (2)	0.0183 (16)	0.0347 (18)	0.0044 (14)	0.0256 (17)	0.0033 (13)
C18	0.0260 (17)	0.0177 (15)	0.0233 (16)	0.0042 (12)	0.0145 (13)	0.0025 (12)
C19	0.0298 (18)	0.0243 (17)	0.0295 (17)	−0.0011 (13)	0.0126 (14)	0.0062 (13)
C20	0.0284 (18)	0.039 (2)	0.038 (2)	−0.0050 (14)	0.0155 (16)	0.0072 (15)
C21	0.044 (2)	0.051 (2)	0.033 (2)	−0.0076 (17)	0.0270 (18)	0.0039 (16)
C22	0.042 (2)	0.045 (2)	0.0254 (17)	−0.0006 (16)	0.0199 (16)	0.0025 (14)
C23	0.0312 (18)	0.0291 (17)	0.0225 (16)	0.0029 (13)	0.0164 (14)	0.0039 (13)
C24	0.0226 (17)	0.045 (2)	0.0287 (18)	−0.0111 (14)	0.0102 (14)	0.0050 (15)
C25	0.043 (3)	0.116 (4)	0.035 (2)	0.013 (2)	0.0082 (19)	0.017 (2)
C26	0.092 (4)	0.058 (3)	0.042 (2)	−0.025 (2)	0.011 (2)	−0.009 (2)
C27	0.035 (2)	0.050 (2)	0.0198 (17)	−0.0038 (16)	0.0133 (16)	−0.0031 (15)
C28	0.059 (3)	0.044 (2)	0.043 (2)	−0.0066 (18)	0.0157 (19)	−0.0051 (17)
C29	0.041 (2)	0.060 (3)	0.049 (2)	0.0096 (19)	0.0045 (19)	−0.0084 (19)
C35	0.029 (2)	0.050 (2)	0.040 (2)	0.0084 (15)	0.0058 (17)	−0.0156 (16)
C36	0.029 (4)	0.041 (4)	0.030 (4)	−0.010 (3)	−0.001 (3)	−0.003 (3)
C37	0.046 (2)	0.059 (3)	0.057 (3)	−0.008 (2)	−0.007 (2)	−0.021 (2)
C38	0.053 (2)	0.0284 (18)	0.0275 (18)	−0.0042 (16)	0.0061 (17)	−0.0079 (14)
N1	0.0169 (12)	0.0143 (12)	0.0141 (12)	−0.0029 (9)	0.0063 (10)	−0.0001 (9)
N2	0.0258 (13)	0.0167 (12)	0.0147 (12)	0.0004 (10)	0.0106 (11)	0.0019 (9)
C30	0.045 (2)	0.035 (2)	0.050 (2)	0.0146 (17)	0.0149 (19)	−0.0046 (17)
O2	0.0273 (12)	0.0285 (12)	0.0293 (12)	−0.0032 (9)	0.0043 (10)	−0.0116 (9)
Mg1	0.0241 (5)	0.0139 (4)	0.0184 (5)	0.0029 (4)	0.0102 (4)	−0.0011 (4)
C36B	0.028 (6)	0.076 (10)	0.094 (15)	−0.005 (6)	0.013 (6)	−0.023 (10)

Geometric parameters (Å, º) top

C1—C6	1.402 (4)	C25—H25A	0.9800
C1—C2	1.423 (4)	C25—H25B	0.9800
C1—N1	1.437 (3)	C25—H25C	0.9800
C2—C3	1.379 (4)	C26—H26A	0.9800
C2—C7	1.524 (4)	C26—H26B	0.9800
C3—C4	1.385 (4)	C26—H26C	0.9800
C3—H3	0.9500	C27—C28	1.520 (5)
C4—C5	1.375 (4)	C27—C29	1.537 (5)
C4—H4	0.9500	C27—H27	1.0000
C5—C6	1.381 (4)	C28—H28A	0.9800
C5—H5	0.9500	C28—H28B	0.9800
C6—C10	1.520 (4)	C28—H28C	0.9800
C7—C9	1.507 (5)	C29—H29A	0.9800
C7—C8	1.522 (4)	C29—H29B	0.9800
C7—H7	1.0000	C29—H29C	0.9800
C8—H8A	0.9800	C31—C30	1.508 (6)
C8—H8B	0.9800	C31—C32	1.561 (8)
C8—H8C	0.9800	C31—H31A	0.9900
C9—H9A	0.9800	C31—H31B	0.9900
C9—H9B	0.9800	C32—C33	1.488 (9)
C9—H9C	0.9800	C32—H32A	0.9900
C10—C11	1.513 (5)	C32—H32B	0.9900
C10—C12	1.539 (5)	C33—C34	1.541 (8)
C10—H10	1.0000	C33—H33A	0.9900
C11—H11A	0.9800	C33—H33B	0.9900
C11—H11B	0.9800	C34—C30	1.526 (6)
C11—H11C	0.9800	C34—H34A	0.9900
C12—H12A	0.9800	C34—H34B	0.9900
C12—H12B	0.9800	C35—O2	1.443 (4)
C12—H12C	0.9800	C35—C36	1.492 (7)
C13—C14	1.518 (4)	C35—H35A	0.9900
C13—H13A	0.9800	C35—H35B	0.9900
C13—H13B	0.9800	C36—C37	1.490 (8)
C13—H13C	0.9800	C36—H36A	0.9900
C14—N1	1.329 (3)	C36—H36B	0.9900
C14—C15	1.404 (4)	C37—C38	1.492 (5)
C15—C16	1.416 (4)	C37—H37A	0.9900
C15—H15	0.9500	C37—H37B	0.9900
C16—N2	1.317 (3)	C38—O2	1.448 (4)
C16—C17	1.518 (4)	C38—H38A	0.9900
C17—H17A	0.9800	C38—H38B	0.9900
C17—H17B	0.9800	N1—Mg1	2.066 (2)
C17—H17C	0.9800	N2—Mg1	2.065 (2)
C17—H17D	0.9800	C30—C34B	1.497 (7)
C17—H17E	0.9800	C30—C31B	1.515 (6)
C17—H17F	0.9800	C30—Mg1	2.129 (3)
C18—C19	1.404 (4)	C30—H30	1.06 (5)
C18—C23	1.406 (4)	O2—Mg1	2.097 (2)
C18—N2	1.445 (3)	C31B—C32B	1.556 (9)
C19—C20	1.388 (4)	C31B—H31C	0.9900
C19—C24	1.524 (4)	C31B—H31D	0.9900
C20—C21	1.381 (5)	C32B—C33B	1.503 (10)
C20—H20	0.9500	C32B—H32C	0.9900
C21—C22	1.367 (5)	C32B—H32D	0.9900
C21—H21	0.9500	C33B—C34B	1.551 (8)
C22—C23	1.402 (4)	C33B—H33C	0.9900
C22—H22	0.9500	C33B—H33D	0.9900
C23—C27	1.518 (5)	C34B—H34C	0.9900
C24—C25	1.510 (5)	C34B—H34D	0.9900
C24—C26	1.535 (5)	C36B—H36C	0.9800 (12)
C24—H24	1.0000	C36B—H36D	0.9800 (11)

C6—C1—C2	119.7 (2)	H26A—C26—H26C	109.5
C6—C1—N1	121.6 (2)	H26B—C26—H26C	109.5
C2—C1—N1	118.5 (2)	C23—C27—C28	111.9 (3)
C3—C2—C1	118.3 (3)	C23—C27—C29	111.0 (3)
C3—C2—C7	120.9 (3)	C28—C27—C29	109.2 (3)
C1—C2—C7	120.8 (2)	C23—C27—H27	108.2
C2—C3—C4	121.8 (3)	C28—C27—H27	108.2
C2—C3—H3	119.1	C29—C27—H27	108.2
C4—C3—H3	119.1	C27—C28—H28A	109.5
C5—C4—C3	119.2 (3)	C27—C28—H28B	109.5
C5—C4—H4	120.4	H28A—C28—H28B	109.5
C3—C4—H4	120.4	C27—C28—H28C	109.5
C4—C5—C6	121.6 (3)	H28A—C28—H28C	109.5
C4—C5—H5	119.2	H28B—C28—H28C	109.5
C6—C5—H5	119.2	C27—C29—H29A	109.5
C5—C6—C1	119.2 (3)	C27—C29—H29B	109.5
C5—C6—C10	119.0 (3)	H29A—C29—H29B	109.5
C1—C6—C10	121.8 (2)	C27—C29—H29C	109.5
C9—C7—C8	110.6 (3)	H29A—C29—H29C	109.5
C9—C7—C2	113.0 (3)	H29B—C29—H29C	109.5
C8—C7—C2	112.3 (3)	C30—C31—C32	105.1 (5)
C9—C7—H7	106.8	C30—C31—H31A	110.7
C8—C7—H7	106.8	C32—C31—H31A	110.7
C2—C7—H7	106.8	C30—C31—H31B	110.7
C7—C8—H8A	109.5	C32—C31—H31B	110.7
C7—C8—H8B	109.5	H31A—C31—H31B	108.8
H8A—C8—H8B	109.5	C33—C32—C31	105.9 (6)
C7—C8—H8C	109.5	C33—C32—H32A	110.6
H8A—C8—H8C	109.5	C31—C32—H32A	110.6
H8B—C8—H8C	109.5	C33—C32—H32B	110.6
C7—C9—H9A	109.5	C31—C32—H32B	110.6
C7—C9—H9B	109.5	H32A—C32—H32B	108.7
H9A—C9—H9B	109.5	C32—C33—C34	100.2 (6)
C7—C9—H9C	109.5	C32—C33—H33A	111.7
H9A—C9—H9C	109.5	C34—C33—H33A	111.7
H9B—C9—H9C	109.5	C32—C33—H33B	111.7
C11—C10—C6	110.9 (3)	C34—C33—H33B	111.7
C11—C10—C12	111.1 (3)	H33A—C33—H33B	109.5
C6—C10—C12	111.6 (3)	C30—C34—C33	112.0 (6)
C11—C10—H10	107.7	C30—C34—H34A	109.2
C6—C10—H10	107.7	C33—C34—H34A	109.2
C12—C10—H10	107.7	C30—C34—H34B	109.2
C10—C11—H11A	109.5	C33—C34—H34B	109.2
C10—C11—H11B	109.5	H34A—C34—H34B	107.9
H11A—C11—H11B	109.5	O2—C35—C36	105.4 (4)
C10—C11—H11C	109.5	O2—C35—H35A	110.7
H11A—C11—H11C	109.5	C36—C35—H35A	110.7
H11B—C11—H11C	109.5	O2—C35—H35B	110.7
C10—C12—H12A	109.5	C36—C35—H35B	110.7
C10—C12—H12B	109.5	H35A—C35—H35B	108.8
H12A—C12—H12B	109.5	C37—C36—C35	103.3 (5)
C10—C12—H12C	109.5	C37—C36—H36A	111.1
H12A—C12—H12C	109.5	C35—C36—H36A	111.1
H12B—C12—H12C	109.5	C37—C36—H36B	111.1
C14—C13—H13A	109.5	C35—C36—H36B	111.1
C14—C13—H13B	109.5	H36A—C36—H36B	109.1
H13A—C13—H13B	109.5	C37—C36—H36D	108 (4)
C14—C13—H13C	109.5	C35—C36—H36D	86 (5)
H13A—C13—H13C	109.5	H36B—C36—H36D	131.7
H13B—C13—H13C	109.5	C36—C37—C38	106.3 (3)
N1—C14—C15	124.5 (2)	C36—C37—H37A	110.5
N1—C14—C13	119.6 (2)	C38—C37—H37A	110.5
C15—C14—C13	115.9 (2)	C36—C37—H37B	110.5
C14—C15—C16	128.6 (3)	C38—C37—H37B	110.5
C14—C15—H15	115.7	H37A—C37—H37B	108.7
C16—C15—H15	115.7	O2—C38—C37	106.6 (3)
N2—C16—C15	124.3 (2)	O2—C38—H38A	110.4
N2—C16—C17	120.5 (2)	C37—C38—H38A	110.4
C15—C16—C17	115.2 (2)	O2—C38—H38B	110.4
C16—C17—H17A	109.5	C37—C38—H38B	110.4
C16—C17—H17B	109.5	H38A—C38—H38B	108.6
H17A—C17—H17B	109.5	C14—N1—C1	119.0 (2)
C16—C17—H17C	109.5	C14—N1—Mg1	117.79 (17)
H17A—C17—H17C	109.5	C1—N1—Mg1	122.68 (16)
H17B—C17—H17C	109.5	C16—N2—C18	118.6 (2)
C16—C17—H17D	109.5	C16—N2—Mg1	118.58 (17)
H17A—C17—H17D	141.1	C18—N2—Mg1	122.72 (17)
H17B—C17—H17D	56.3	C34B—C30—C31	100.7 (6)
H17C—C17—H17D	56.3	C34B—C30—C31B	112.9 (6)
C16—C17—H17E	109.5	C31—C30—C34	93.1 (6)
H17A—C17—H17E	56.3	C31B—C30—C34	106.1 (7)
H17B—C17—H17E	141.1	C34B—C30—Mg1	126.5 (4)
H17C—C17—H17E	56.3	C31—C30—Mg1	121.8 (4)
H17D—C17—H17E	109.5	C31B—C30—Mg1	113.5 (5)
C16—C17—H17F	109.5	C34—C30—Mg1	113.9 (4)
H17A—C17—H17F	56.3	C34B—C30—H30	82 (3)
H17B—C17—H17F	56.3	C31—C30—H30	109 (3)
H17C—C17—H17F	141.1	C31B—C30—H30	105 (3)
H17D—C17—H17F	109.5	C34—C30—H30	108 (3)
H17E—C17—H17F	109.5	Mg1—C30—H30	109 (3)
C19—C18—C23	120.8 (3)	C35—O2—C38	108.1 (2)
C19—C18—N2	119.3 (2)	C35—O2—Mg1	128.25 (17)
C23—C18—N2	119.7 (3)	C38—O2—Mg1	123.50 (19)
C20—C19—C18	118.5 (3)	N2—Mg1—N1	91.98 (9)
C20—C19—C24	118.9 (3)	N2—Mg1—O2	102.05 (9)
C18—C19—C24	122.6 (3)	N1—Mg1—O2	100.82 (9)
C21—C20—C19	121.4 (3)	N2—Mg1—C30	124.53 (14)
C21—C20—H20	119.3	N1—Mg1—C30	126.50 (13)
C19—C20—H20	119.3	O2—Mg1—C30	106.70 (13)
C22—C21—C20	119.6 (3)	C30—C31B—C32B	106.7 (7)
C22—C21—H21	120.2	C30—C31B—H31C	110.4
C20—C21—H21	120.2	C32B—C31B—H31C	110.4
C21—C22—C23	121.7 (3)	C30—C31B—H31D	110.4
C21—C22—H22	119.1	C32B—C31B—H31D	110.4
C23—C22—H22	119.1	H31C—C31B—H31D	108.6
C22—C23—C18	117.8 (3)	C33B—C32B—C31B	102.7 (7)
C22—C23—C27	119.6 (3)	C33B—C32B—H32C	111.2
C18—C23—C27	122.5 (3)	C31B—C32B—H32C	111.2
C25—C24—C19	110.9 (3)	C33B—C32B—H32D	111.2
C25—C24—C26	111.7 (4)	C31B—C32B—H32D	111.2
C19—C24—C26	112.2 (3)	H32C—C32B—H32D	109.1
C25—C24—H24	107.2	C32B—C33B—C34B	114.7 (8)
C19—C24—H24	107.2	C32B—C33B—H33C	108.6
C26—C24—H24	107.2	C34B—C33B—H33C	108.6
C24—C25—H25A	109.5	C32B—C33B—H33D	108.6
C24—C25—H25B	109.5	C34B—C33B—H33D	108.6
H25A—C25—H25B	109.5	H33C—C33B—H33D	107.6
C24—C25—H25C	109.5	C30—C34B—C33B	99.2 (6)
H25A—C25—H25C	109.5	C30—C34B—H34C	111.9
H25B—C25—H25C	109.5	C33B—C34B—H34C	111.9
C24—C26—H26A	109.5	C30—C34B—H34D	111.9
C24—C26—H26B	109.5	C33B—C34B—H34D	111.9
H26A—C26—H26B	109.5	H34C—C34B—H34D	109.6
C24—C26—H26C	109.5	H36C—C36B—H36D	110.6 (5)

C6—C1—C2—C3	−4.2 (4)	C15—C16—N2—C18	−167.1 (3)
N1—C1—C2—C3	179.2 (3)	C17—C16—N2—C18	12.8 (4)
C6—C1—C2—C7	174.7 (3)	C15—C16—N2—Mg1	16.2 (4)
N1—C1—C2—C7	−2.0 (4)	C17—C16—N2—Mg1	−164.0 (2)
C1—C2—C3—C4	2.6 (4)	C19—C18—N2—C16	83.8 (3)
C7—C2—C3—C4	−176.2 (3)	C23—C18—N2—C16	−99.8 (3)
C2—C3—C4—C5	0.2 (5)	C19—C18—N2—Mg1	−99.7 (3)
C3—C4—C5—C6	−1.5 (5)	C23—C18—N2—Mg1	76.8 (3)
C4—C5—C6—C1	−0.1 (4)	C32—C31—C30—C34B	−20.8 (9)
C4—C5—C6—C10	177.6 (3)	C32—C31—C30—C31B	140 (4)
C2—C1—C6—C5	3.0 (4)	C32—C31—C30—C34	−46.2 (7)
N1—C1—C6—C5	179.5 (3)	C32—C31—C30—Mg1	−166.9 (4)
C2—C1—C6—C10	−174.7 (3)	C33—C34—C30—C34B	−65.2 (10)
N1—C1—C6—C10	1.9 (4)	C33—C34—C30—C31	42.8 (7)
C3—C2—C7—C9	−99.6 (4)	C33—C34—C30—C31B	44.2 (9)
C1—C2—C7—C9	81.6 (3)	C33—C34—C30—Mg1	169.8 (5)
C3—C2—C7—C8	26.4 (4)	C36—C35—O2—C38	−27.7 (6)
C1—C2—C7—C8	−152.4 (3)	C36—C35—O2—Mg1	147.3 (5)
C5—C6—C10—C11	−69.0 (4)	C37—C38—O2—C35	11.6 (4)
C1—C6—C10—C11	108.7 (3)	C37—C38—O2—Mg1	−163.8 (2)
C5—C6—C10—C12	55.5 (4)	C16—N2—Mg1—N1	−34.4 (2)
C1—C6—C10—C12	−126.8 (3)	C18—N2—Mg1—N1	149.1 (2)
N1—C14—C15—C16	−13.7 (5)	C16—N2—Mg1—O2	67.1 (2)
C13—C14—C15—C16	165.3 (3)	C18—N2—Mg1—O2	−109.4 (2)
C14—C15—C16—N2	15.2 (5)	C16—N2—Mg1—C30	−172.6 (2)
C14—C15—C16—C17	−164.6 (3)	C18—N2—Mg1—C30	10.8 (3)
C23—C18—C19—C20	2.3 (4)	C14—N1—Mg1—N2	35.4 (2)
N2—C18—C19—C20	178.8 (3)	C1—N1—Mg1—N2	−153.2 (2)
C23—C18—C19—C24	−176.3 (3)	C14—N1—Mg1—O2	−67.3 (2)
N2—C18—C19—C24	0.1 (4)	C1—N1—Mg1—O2	104.1 (2)
C18—C19—C20—C21	−1.2 (5)	C14—N1—Mg1—C30	172.3 (2)
C24—C19—C20—C21	177.5 (3)	C1—N1—Mg1—C30	−16.2 (3)
C19—C20—C21—C22	−0.6 (5)	C35—O2—Mg1—N2	−46.9 (3)
C20—C21—C22—C23	1.3 (5)	C38—O2—Mg1—N2	127.4 (2)
C21—C22—C23—C18	−0.2 (5)	C35—O2—Mg1—N1	47.5 (3)
C21—C22—C23—C27	179.0 (3)	C38—O2—Mg1—N1	−138.2 (2)
C19—C18—C23—C22	−1.7 (4)	C35—O2—Mg1—C30	−178.9 (3)
N2—C18—C23—C22	−178.1 (3)	C38—O2—Mg1—C30	−4.6 (3)
C19—C18—C23—C27	179.2 (3)	C34B—C30—Mg1—N2	−26.1 (7)
N2—C18—C23—C27	2.7 (4)	C31—C30—Mg1—N2	110.9 (5)
C20—C19—C24—C25	−58.0 (4)	C31B—C30—Mg1—N2	122.4 (7)
C18—C19—C24—C25	120.7 (3)	C34—C30—Mg1—N2	0.8 (5)
C20—C19—C24—C26	67.6 (4)	C34B—C30—Mg1—N1	−150.2 (7)
C18—C19—C24—C26	−113.7 (4)	C31—C30—Mg1—N1	−13.2 (6)
C22—C23—C27—C28	58.7 (4)	C31B—C30—Mg1—N1	−1.8 (7)
C18—C23—C27—C28	−122.2 (3)	C34—C30—Mg1—N1	−123.3 (4)
C22—C23—C27—C29	−63.7 (4)	C34B—C30—Mg1—O2	92.0 (7)
C18—C23—C27—C29	115.5 (3)	C31—C30—Mg1—O2	−131.0 (5)
C30—C31—C32—C33	38.1 (9)	C31B—C30—Mg1—O2	−119.6 (7)
C31—C32—C33—C34	−9.6 (8)	C34—C30—Mg1—O2	118.9 (5)
C32—C33—C34—C30	−21.6 (9)	C34B—C30—C31B—C32B	−13.8 (13)
O2—C35—C36—C37	32.4 (7)	C31—C30—C31B—C32B	−35 (3)
C35—C36—C37—C38	−25.3 (8)	C34—C30—C31B—C32B	−40.8 (11)
C36—C37—C38—O2	9.1 (6)	Mg1—C30—C31B—C32B	−166.6 (6)
C15—C14—N1—C1	169.6 (2)	C30—C31B—C32B—C33B	1.4 (13)
C13—C14—N1—C1	−9.3 (4)	C31B—C32B—C33B—C34B	11.0 (13)
C15—C14—N1—Mg1	−18.7 (3)	C31—C30—C34B—C33B	23.6 (9)
C13—C14—N1—Mg1	162.4 (2)	C31B—C30—C34B—C33B	18.9 (11)
C6—C1—N1—C14	88.3 (3)	C34—C30—C34B—C33B	98.7 (12)
C2—C1—N1—C14	−95.2 (3)	Mg1—C30—C34B—C33B	167.5 (5)
C6—C1—N1—Mg1	−83.1 (3)	C32B—C33B—C34B—C30	−18.4 (12)
C2—C1—N1—Mg1	93.5 (3)

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Format		BIBTeX
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		CIF
		SGML
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Cyclo­pentyl{2-[(2,6-diiso­propyl­phenyl)­amino]-4-[(2,6-diiso­propyl­phenyl)­imino]­pent-2-enato-κ2N,N′}(tetra­hydro­furan-κO)­magnesium(II)

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Cyclopentyl{2-[(2,6-diisopropylphenyl)amino]-4-[(2,6-diisopropylphenyl)imino]pent-2-enato-κ²N,N′}(tetrahydrofuran-κO)magnesium(II)