metal-organic compounds\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

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ISSN: 2056-9890

[N,N-Bis(di­phenyl­phosphan­yl)propanamine-κ2P,P′]di­chloridonickel(II)

aCollege of Chemistry and Chemical Engineering, Hunan Normal University, Changsha, Hunan 410081, People's Republic of China
*Correspondence e-mail: yinbangshao@yahoo.cn

(Received 14 October 2011; accepted 15 October 2011; online 22 October 2011)

In the title complex, [NiCl2(C27H27NP2)], the Ni2+ ion is coordinated by two chloride ions and two P atoms of the bidentate N,N-bis­(diphenyl­phosphan­yl)propyl ligand to generate a strongly distorted cis-NiCl2P2 square-planar geometry for the metal ion. A NiP2N rhombus occurs within the chelating ligand.

Related literature

For details of the synthesis, see: Sun et al. (2006[Sun, Z., Zhu, F. & Lin, S. (2006). Appl. Organomet. Chem. 20, 175-180.]). For a related structure, see: Yin et al. (2011[Yin, B.-S., Li, T.-B. & Yang, M.-S. (2011). Acta Cryst. E67, m1571.]).

[Scheme 1]

Experimental

Crystal data
  • [NiCl2(C27H27NP2)]

  • Mr = 557.05

  • Monoclinic, P 21 /c

  • a = 10.210 (4) Å

  • b = 19.308 (7) Å

  • c = 15.538 (4) Å

  • β = 122.669 (18)°

  • V = 2578.5 (15) Å3

  • Z = 4

  • Mo Kα radiation

  • μ = 1.10 mm−1

  • T = 113 K

  • 0.08 × 0.08 × 0.04 mm

Data collection
  • Rigaku Saturn724 CCD diffractometer

  • Absorption correction: multi-scan (CrystalClear; Rigaku/MSC, 2005[Rigaku/MSC (2005). CrystalClear and CrystalStructure. Rigaku/MSC Inc., The Woodlands, Texas, USA.]) Tmin = 0.917, Tmax = 0.957

  • 21461 measured reflections

  • 4550 independent reflections

  • 3978 reflections with I > 2σ(I)

  • Rint = 0.076

Refinement
  • R[F2 > 2σ(F2)] = 0.068

  • wR(F2) = 0.175

  • S = 1.15

  • 4550 reflections

  • 299 parameters

  • H-atom parameters constrained

  • Δρmax = 1.66 e Å−3

  • Δρmin = −0.57 e Å−3

Table 1
Selected geometric parameters (Å, °)

Ni1—P2 2.1244 (16)
Ni1—P1 2.1274 (16)
Ni1—Cl2 2.1964 (17)
Ni1—Cl1 2.1977 (16)
P2—Ni1—P1 73.41 (5)
P2—Ni1—Cl2 96.11 (5)
P1—Ni1—Cl2 168.01 (6)
P2—Ni1—Cl1 163.08 (6)
P1—Ni1—Cl1 91.96 (6)
Cl2—Ni1—Cl1 99.22 (6)

Data collection: CrystalClear (Rigaku/MSC, 2005[Rigaku/MSC (2005). CrystalClear and CrystalStructure. Rigaku/MSC Inc., The Woodlands, Texas, USA.]); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: CrystalStructure (Rigaku/MSC, 2005[Rigaku/MSC (2005). CrystalClear and CrystalStructure. Rigaku/MSC Inc., The Woodlands, Texas, USA.]).

Supporting information


Related literature top

For details of the synthesis, see: Sun et al. (2006). For a related structure, see: Yin et al. (2011).

Experimental top

The title complex, (I), was prepared according to the literature procedures (Sun et al., 2006). Red prisms of (I) were grown from slow evaporation of a dichloromethane and hexane solution at room temperature.

Refinement top

All the H atoms were positioned geometrically (C—H = 0.93–0.97 Å) and refined as riding with Uiso(H) = 1.2Ueq(C) or 1.5Ueq(methyl C).

Computing details top

Data collection: CrystalClear (Rigaku/MSC, 2005); cell refinement: CrystalClear (Rigaku/MSC, 2005); data reduction: CrystalClear (Rigaku/MSC, 2005); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: CrystalStructure (Rigaku/MSC, 2005).

Figures top
[Figure 1] Fig. 1. The molecular structure of (I). Displacement ellipsoids are drawn at the 30% probability level and H atoms are shown as small spheres of arbitrary radius.
[Figure 2] Fig. 2. The packing for (I).
[N,N-Bis(diphenylphosphanyl)propanamine- κ2P,P']dichloridonickel(II) top
Crystal data top
[NiCl2(C27H27NP2)]F(000) = 1152
Mr = 557.05Dx = 1.435 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 7237 reflections
a = 10.210 (4) Åθ = 1.9–26.1°
b = 19.308 (7) ŵ = 1.10 mm1
c = 15.538 (4) ÅT = 113 K
β = 122.669 (18)°Prism, red
V = 2578.5 (15) Å30.08 × 0.08 × 0.04 mm
Z = 4
Data collection top
Rigaku Saturn724 CCD
diffractometer
4550 independent reflections
Radiation source: rotating anode3978 reflections with I > 2σ(I)
Multilayer monochromatorRint = 0.076
Detector resolution: 14.22 pixels mm-1θmax = 25.0°, θmin = 1.9°
ω and ϕ scansh = 1212
Absorption correction: multi-scan
(CrystalClear; Rigaku/MSC, 2005)
k = 2222
Tmin = 0.917, Tmax = 0.957l = 1718
21461 measured reflections
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.068Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.175H-atom parameters constrained
S = 1.15 w = 1/[σ2(Fo2) + (0.0758P)2 + 3.0298P]
where P = (Fo2 + 2Fc2)/3
4550 reflections(Δ/σ)max < 0.001
299 parametersΔρmax = 1.66 e Å3
0 restraintsΔρmin = 0.57 e Å3
Crystal data top
[NiCl2(C27H27NP2)]V = 2578.5 (15) Å3
Mr = 557.05Z = 4
Monoclinic, P21/cMo Kα radiation
a = 10.210 (4) ŵ = 1.10 mm1
b = 19.308 (7) ÅT = 113 K
c = 15.538 (4) Å0.08 × 0.08 × 0.04 mm
β = 122.669 (18)°
Data collection top
Rigaku Saturn724 CCD
diffractometer
4550 independent reflections
Absorption correction: multi-scan
(CrystalClear; Rigaku/MSC, 2005)
3978 reflections with I > 2σ(I)
Tmin = 0.917, Tmax = 0.957Rint = 0.076
21461 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0680 restraints
wR(F2) = 0.175H-atom parameters constrained
S = 1.15Δρmax = 1.66 e Å3
4550 reflectionsΔρmin = 0.57 e Å3
299 parameters
Special details top

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 (Å2) top
xyzUiso*/Ueq
Ni10.68919 (7)0.31831 (3)0.21970 (5)0.0212 (2)
Cl10.44166 (14)0.29800 (7)0.10697 (10)0.0306 (3)
Cl20.67979 (15)0.43135 (7)0.23126 (10)0.0330 (3)
P10.74240 (14)0.21070 (7)0.23889 (10)0.0211 (3)
P20.93563 (14)0.31029 (7)0.31062 (10)0.0209 (3)
N10.9378 (4)0.2224 (2)0.3110 (3)0.0218 (9)
C10.6902 (5)0.1587 (3)0.1285 (4)0.0214 (10)
C20.5479 (6)0.1242 (3)0.0752 (4)0.0268 (12)
H20.48000.12590.09930.032*
C30.5054 (6)0.0877 (3)0.0125 (4)0.0307 (12)
H30.40840.06420.04850.037*
C40.6052 (6)0.0851 (3)0.0485 (4)0.0315 (13)
H40.57660.05940.10830.038*
C50.7447 (6)0.1200 (3)0.0033 (4)0.0327 (13)
H50.81230.11840.02110.039*
C60.7874 (6)0.1573 (3)0.0906 (4)0.0262 (11)
H60.88290.18210.12500.031*
C70.6744 (5)0.1657 (3)0.3101 (4)0.0248 (11)
C80.6334 (6)0.2064 (3)0.3666 (4)0.0333 (13)
H80.64150.25540.36660.040*
C90.5809 (7)0.1747 (4)0.4225 (4)0.0415 (16)
H90.54940.20240.45880.050*
C100.5737 (6)0.1036 (4)0.4260 (5)0.0435 (16)
H100.54130.08250.46670.052*
C110.6136 (6)0.0627 (3)0.3701 (4)0.0391 (15)
H110.60560.01370.37110.047*
C120.6652 (6)0.0932 (3)0.3127 (4)0.0295 (12)
H120.69410.06520.27530.035*
C131.0345 (6)0.3415 (3)0.2503 (4)0.0247 (11)
C141.1920 (6)0.3300 (3)0.2929 (4)0.0317 (13)
H141.25220.30790.35760.038*
C151.2620 (6)0.3506 (3)0.2417 (4)0.0343 (13)
H151.36990.34240.27130.041*
C161.1762 (7)0.3828 (3)0.1482 (4)0.0364 (14)
H161.22420.39600.11260.044*
C171.0194 (7)0.3960 (3)0.1059 (5)0.0410 (15)
H170.96080.41970.04250.049*
C180.9484 (6)0.3747 (3)0.1559 (4)0.0321 (13)
H180.84040.38280.12580.039*
C191.0500 (5)0.3412 (3)0.4406 (4)0.0239 (11)
C201.0872 (6)0.4110 (3)0.4589 (4)0.0265 (11)
H201.05810.44130.40310.032*
C211.1660 (6)0.4372 (3)0.5572 (4)0.0313 (12)
H211.18810.48530.56860.038*
C221.2134 (6)0.3926 (3)0.6401 (4)0.0291 (12)
H221.26970.41010.70790.035*
C231.1778 (6)0.3232 (3)0.6224 (4)0.0334 (13)
H231.21140.29300.67890.040*
C241.0937 (6)0.2961 (3)0.5239 (4)0.0283 (12)
H241.06620.24850.51280.034*
C251.0738 (6)0.1766 (3)0.3458 (4)0.0299 (12)
H25A1.16350.19570.40970.036*
H25B1.10100.17670.29360.036*
C261.0480 (6)0.1034 (3)0.3647 (5)0.0347 (13)
H26A0.96210.08290.30030.042*
H26B1.01720.10270.41520.042*
C271.1960 (6)0.0599 (3)0.4050 (4)0.0322 (13)
H27A1.22050.05660.35220.048*
H27B1.17910.01330.42240.048*
H27C1.28280.08190.46610.048*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ni10.0193 (4)0.0231 (4)0.0222 (4)0.0025 (3)0.0119 (3)0.0018 (3)
Cl10.0179 (6)0.0413 (8)0.0293 (7)0.0024 (5)0.0106 (5)0.0007 (6)
Cl20.0362 (8)0.0258 (7)0.0377 (8)0.0063 (5)0.0205 (6)0.0023 (6)
P10.0193 (7)0.0236 (7)0.0216 (7)0.0009 (5)0.0118 (5)0.0001 (5)
P20.0194 (7)0.0213 (7)0.0219 (7)0.0008 (5)0.0112 (5)0.0004 (5)
N10.018 (2)0.023 (2)0.024 (2)0.0008 (17)0.0112 (18)0.0022 (18)
C10.022 (3)0.017 (3)0.026 (3)0.003 (2)0.013 (2)0.001 (2)
C20.025 (3)0.029 (3)0.023 (3)0.002 (2)0.012 (2)0.001 (2)
C30.028 (3)0.033 (3)0.030 (3)0.003 (2)0.014 (2)0.002 (2)
C40.034 (3)0.033 (3)0.025 (3)0.005 (2)0.014 (2)0.001 (2)
C50.034 (3)0.039 (3)0.030 (3)0.002 (2)0.021 (3)0.004 (3)
C60.027 (3)0.027 (3)0.027 (3)0.003 (2)0.017 (2)0.001 (2)
C70.020 (3)0.033 (3)0.020 (3)0.001 (2)0.010 (2)0.004 (2)
C80.033 (3)0.041 (3)0.031 (3)0.003 (3)0.021 (3)0.001 (3)
C90.034 (3)0.071 (5)0.027 (3)0.008 (3)0.021 (3)0.008 (3)
C100.026 (3)0.073 (5)0.034 (3)0.001 (3)0.017 (3)0.017 (3)
C110.026 (3)0.047 (4)0.034 (3)0.009 (3)0.009 (3)0.012 (3)
C120.019 (3)0.038 (3)0.028 (3)0.002 (2)0.010 (2)0.003 (2)
C130.028 (3)0.023 (3)0.026 (3)0.005 (2)0.016 (2)0.003 (2)
C140.025 (3)0.043 (4)0.025 (3)0.002 (2)0.013 (2)0.003 (2)
C150.028 (3)0.048 (4)0.033 (3)0.005 (3)0.021 (3)0.006 (3)
C160.044 (3)0.044 (4)0.038 (3)0.003 (3)0.033 (3)0.002 (3)
C170.049 (4)0.047 (4)0.038 (3)0.020 (3)0.031 (3)0.018 (3)
C180.030 (3)0.041 (4)0.028 (3)0.009 (2)0.017 (2)0.006 (2)
C190.020 (3)0.028 (3)0.025 (3)0.004 (2)0.013 (2)0.002 (2)
C200.029 (3)0.027 (3)0.027 (3)0.000 (2)0.017 (2)0.002 (2)
C210.029 (3)0.032 (3)0.031 (3)0.008 (2)0.016 (2)0.010 (2)
C220.025 (3)0.040 (3)0.024 (3)0.000 (2)0.014 (2)0.005 (2)
C230.036 (3)0.047 (4)0.018 (3)0.012 (3)0.015 (2)0.012 (2)
C240.029 (3)0.026 (3)0.037 (3)0.001 (2)0.022 (3)0.001 (2)
C250.020 (3)0.025 (3)0.039 (3)0.003 (2)0.013 (2)0.002 (2)
C260.030 (3)0.024 (3)0.045 (3)0.000 (2)0.017 (3)0.002 (3)
C270.034 (3)0.028 (3)0.040 (3)0.008 (2)0.023 (3)0.006 (3)
Geometric parameters (Å, º) top
Ni1—P22.1244 (16)C12—H120.9500
Ni1—P12.1274 (16)C13—C141.387 (7)
Ni1—Cl22.1964 (17)C13—C181.395 (7)
Ni1—Cl12.1977 (16)C14—C151.385 (7)
P1—N11.695 (4)C14—H140.9500
P1—C11.802 (5)C15—C161.376 (8)
P1—C71.815 (5)C15—H150.9500
P1—P22.5413 (19)C16—C171.387 (8)
P2—N11.697 (4)C16—H160.9500
P2—C191.803 (5)C17—C181.380 (8)
P2—C131.811 (5)C17—H170.9500
N1—C251.480 (6)C18—H180.9500
C1—C21.393 (7)C19—C201.389 (7)
C1—C61.401 (7)C19—C241.418 (7)
C2—C31.380 (7)C20—C211.381 (7)
C2—H20.9500C20—H200.9500
C3—C41.403 (7)C21—C221.400 (8)
C3—H30.9500C21—H210.9500
C4—C51.376 (8)C22—C231.377 (8)
C4—H40.9500C22—H220.9500
C5—C61.382 (7)C23—C241.390 (8)
C5—H50.9500C23—H230.9500
C6—H60.9500C24—H240.9500
C7—C81.401 (7)C25—C261.495 (7)
C7—C121.404 (8)C25—H25A0.9900
C8—C91.385 (8)C25—H25B0.9900
C8—H80.9500C26—C271.536 (7)
C9—C101.379 (9)C26—H26A0.9900
C9—H90.9500C26—H26B0.9900
C10—C111.387 (9)C27—H27A0.9800
C10—H100.9500C27—H27B0.9800
C11—C121.390 (7)C27—H27C0.9800
C11—H110.9500
P2—Ni1—P173.41 (5)C7—C12—H12120.1
P2—Ni1—Cl296.11 (5)C14—C13—C18119.1 (5)
P1—Ni1—Cl2168.01 (6)C14—C13—P2121.8 (4)
P2—Ni1—Cl1163.08 (6)C18—C13—P2119.1 (4)
P1—Ni1—Cl191.96 (6)C15—C14—C13120.4 (5)
Cl2—Ni1—Cl199.22 (6)C15—C14—H14119.8
N1—P1—Ni194.77 (15)C13—C14—H14119.8
N1—P2—Ni194.82 (14)C16—C15—C14120.3 (5)
P1—N1—P297.0 (2)C16—C15—H15119.8
N1—P1—C1109.9 (2)C14—C15—H15119.8
N1—P1—C7111.2 (2)C15—C16—C17119.8 (5)
C1—P1—C7107.5 (2)C15—C16—H16120.1
C1—P1—Ni1119.23 (17)C17—C16—H16120.1
C7—P1—Ni1113.62 (18)C18—C17—C16120.1 (5)
N1—P2—C19109.1 (2)C18—C17—H17119.9
N1—P2—C13108.9 (2)C16—C17—H17119.9
C19—P2—C13105.3 (2)C17—C18—C13120.3 (5)
C19—P2—Ni1122.63 (16)C17—C18—H18119.9
C13—P2—Ni1115.01 (18)C13—C18—H18119.9
C25—N1—P1134.3 (3)C20—C19—C24119.5 (5)
C25—N1—P2127.4 (3)C20—C19—P2119.4 (4)
C2—C1—C6119.3 (5)C24—C19—P2121.0 (4)
C2—C1—P1120.6 (4)C21—C20—C19120.9 (5)
C6—C1—P1119.9 (4)C21—C20—H20119.6
C3—C2—C1120.1 (5)C19—C20—H20119.6
C3—C2—H2119.9C20—C21—C22119.9 (5)
C1—C2—H2119.9C20—C21—H21120.1
C2—C3—C4120.2 (5)C22—C21—H21120.1
C2—C3—H3119.9C23—C22—C21119.5 (5)
C4—C3—H3119.9C23—C22—H22120.3
C5—C4—C3119.6 (5)C21—C22—H22120.3
C5—C4—H4120.2C22—C23—C24121.7 (5)
C3—C4—H4120.2C22—C23—H23119.2
C4—C5—C6120.5 (5)C24—C23—H23119.2
C4—C5—H5119.7C23—C24—C19118.5 (5)
C6—C5—H5119.7C23—C24—H24120.7
C5—C6—C1120.2 (5)C19—C24—H24120.7
C5—C6—H6119.9N1—C25—C26114.0 (4)
C1—C6—H6119.9N1—C25—H25A108.7
C8—C7—C12119.7 (5)C26—C25—H25A108.7
C8—C7—P1117.1 (4)N1—C25—H25B108.7
C12—C7—P1123.2 (4)C26—C25—H25B108.7
C9—C8—C7119.5 (6)H25A—C25—H25B107.6
C9—C8—H8120.2C25—C26—C27111.0 (4)
C7—C8—H8120.2C25—C26—H26A109.4
C10—C9—C8120.7 (6)C27—C26—H26A109.4
C10—C9—H9119.6C25—C26—H26B109.4
C8—C9—H9119.6C27—C26—H26B109.4
C9—C10—C11120.2 (5)H26A—C26—H26B108.0
C9—C10—H10119.9C26—C27—H27A109.5
C11—C10—H10119.9C26—C27—H27B109.5
C10—C11—C12120.1 (6)H27A—C27—H27B109.5
C10—C11—H11120.0C26—C27—H27C109.5
C12—C11—H11120.0H27A—C27—H27C109.5
C11—C12—C7119.7 (5)H27B—C27—H27C109.5
C11—C12—H12120.1
P2—Ni1—P1—N10.03 (14)P1—C1—C2—C3176.5 (4)
Cl2—Ni1—P1—N129.8 (3)C1—C2—C3—C40.1 (8)
Cl1—Ni1—P1—N1171.31 (15)C2—C3—C4—C50.9 (8)
P2—Ni1—P1—C1116.06 (19)C3—C4—C5—C60.2 (9)
Cl2—Ni1—P1—C1145.8 (3)C4—C5—C6—C11.4 (8)
Cl1—Ni1—P1—C155.28 (19)C2—C1—C6—C52.3 (8)
P2—Ni1—P1—C7115.61 (19)P1—C1—C6—C5177.2 (4)
Cl2—Ni1—P1—C785.9 (3)N1—P1—C7—C889.3 (4)
Cl1—Ni1—P1—C773.05 (18)C1—P1—C7—C8150.3 (4)
Cl2—Ni1—P1—P229.7 (3)Ni1—P1—C7—C816.2 (5)
Cl1—Ni1—P1—P2171.35 (6)P2—P1—C7—C844.3 (5)
P1—Ni1—P2—N10.03 (14)N1—P1—C7—C1289.2 (4)
Cl2—Ni1—P2—N1174.09 (14)C1—P1—C7—C1231.2 (5)
Cl1—Ni1—P2—N131.1 (3)Ni1—P1—C7—C12165.4 (4)
P1—Ni1—P2—C19116.3 (2)P2—P1—C7—C12134.2 (4)
Cl2—Ni1—P2—C1957.7 (2)C12—C7—C8—C91.4 (8)
Cl1—Ni1—P2—C19147.4 (3)P1—C7—C8—C9180.0 (4)
P1—Ni1—P2—C13113.49 (19)C7—C8—C9—C102.3 (9)
Cl2—Ni1—P2—C1372.46 (19)C8—C9—C10—C112.5 (9)
Cl1—Ni1—P2—C1382.4 (3)C9—C10—C11—C121.8 (8)
Cl2—Ni1—P2—P1174.05 (6)C10—C11—C12—C71.0 (8)
Cl1—Ni1—P2—P131.1 (2)C8—C7—C12—C110.8 (7)
C1—P1—P2—N178.3 (3)P1—C7—C12—C11179.2 (4)
C7—P1—P2—N184.2 (3)N1—P2—C13—C1464.9 (5)
Ni1—P1—P2—N1179.9 (2)C19—P2—C13—C1452.0 (5)
N1—P1—P2—C1974.5 (3)Ni1—P2—C13—C14169.8 (4)
C1—P1—P2—C19152.8 (3)P1—P2—C13—C14108.7 (4)
C7—P1—P2—C199.7 (3)N1—P2—C13—C18111.7 (4)
Ni1—P1—P2—C19105.5 (2)C19—P2—C13—C18131.3 (4)
N1—P1—P2—C1381.5 (3)Ni1—P2—C13—C186.8 (5)
C1—P1—P2—C133.2 (3)P1—P2—C13—C1867.9 (5)
C7—P1—P2—C13165.7 (3)C18—C13—C14—C150.8 (8)
Ni1—P1—P2—C1398.5 (2)P2—C13—C14—C15175.8 (4)
N1—P1—P2—Ni1179.9 (2)C13—C14—C15—C160.2 (9)
C1—P1—P2—Ni1101.7 (2)C14—C15—C16—C171.3 (9)
C7—P1—P2—Ni195.8 (2)C15—C16—C17—C182.2 (9)
C1—P1—N1—C2543.7 (5)C16—C17—C18—C131.7 (9)
C7—P1—N1—C2575.2 (5)C14—C13—C18—C170.1 (8)
Ni1—P1—N1—C25167.2 (5)P2—C13—C18—C17176.9 (5)
P2—P1—N1—C25167.2 (6)N1—P2—C19—C20169.1 (4)
C1—P1—N1—P2123.5 (2)C13—P2—C19—C2052.3 (4)
C7—P1—N1—P2117.6 (2)Ni1—P2—C19—C2081.8 (4)
Ni1—P1—N1—P20.04 (17)P1—P2—C19—C20148.4 (3)
C19—P2—N1—C2564.5 (5)N1—P2—C19—C2415.1 (4)
C13—P2—N1—C2550.0 (5)C13—P2—C19—C24131.9 (4)
Ni1—P2—N1—C25168.5 (4)Ni1—P2—C19—C2494.0 (4)
P1—P2—N1—C25168.5 (5)P1—P2—C19—C2427.4 (5)
C19—P2—N1—P1127.0 (2)C24—C19—C20—C210.1 (7)
C13—P2—N1—P1118.5 (2)P2—C19—C20—C21175.8 (4)
Ni1—P2—N1—P10.04 (17)C19—C20—C21—C221.9 (8)
N1—P1—C1—C2160.0 (4)C20—C21—C22—C231.4 (8)
C7—P1—C1—C238.9 (5)C21—C22—C23—C240.9 (8)
Ni1—P1—C1—C292.2 (4)C22—C23—C24—C192.7 (8)
P2—P1—C1—C2156.3 (3)C20—C19—C24—C232.2 (7)
N1—P1—C1—C625.2 (5)P2—C19—C24—C23178.0 (4)
C7—P1—C1—C6146.3 (4)P1—N1—C25—C2632.8 (7)
Ni1—P1—C1—C682.6 (4)P2—N1—C25—C26163.3 (4)
P2—P1—C1—C618.5 (5)N1—C25—C26—C27177.5 (4)
C6—C1—C2—C31.6 (8)

Experimental details

Crystal data
Chemical formula[NiCl2(C27H27NP2)]
Mr557.05
Crystal system, space groupMonoclinic, P21/c
Temperature (K)113
a, b, c (Å)10.210 (4), 19.308 (7), 15.538 (4)
β (°) 122.669 (18)
V3)2578.5 (15)
Z4
Radiation typeMo Kα
µ (mm1)1.10
Crystal size (mm)0.08 × 0.08 × 0.04
Data collection
DiffractometerRigaku Saturn724 CCD
diffractometer
Absorption correctionMulti-scan
(CrystalClear; Rigaku/MSC, 2005)
Tmin, Tmax0.917, 0.957
No. of measured, independent and
observed [I > 2σ(I)] reflections
21461, 4550, 3978
Rint0.076
(sin θ/λ)max1)0.595
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.068, 0.175, 1.15
No. of reflections4550
No. of parameters299
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)1.66, 0.57

Computer programs: CrystalClear (Rigaku/MSC, 2005), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008), CrystalStructure (Rigaku/MSC, 2005).

Selected geometric parameters (Å, º) top
Ni1—P22.1244 (16)Ni1—Cl22.1964 (17)
Ni1—P12.1274 (16)Ni1—Cl12.1977 (16)
P2—Ni1—P173.41 (5)P2—Ni1—Cl1163.08 (6)
P2—Ni1—Cl296.11 (5)P1—Ni1—Cl191.96 (6)
P1—Ni1—Cl2168.01 (6)Cl2—Ni1—Cl199.22 (6)
 

Acknowledgements

This work was supported by the Start-Up Foundation of Hunan Normal University.

References

First citationRigaku/MSC (2005). CrystalClear and CrystalStructure. Rigaku/MSC Inc., The Woodlands, Texas, USA.  Google Scholar
First citationSheldrick, G. M. (2008). Acta Cryst. A64, 112–122.  Web of Science CrossRef CAS IUCr Journals Google Scholar
First citationSun, Z., Zhu, F. & Lin, S. (2006). Appl. Organomet. Chem. 20, 175–180.  Web of Science CSD CrossRef CAS Google Scholar
First citationYin, B.-S., Li, T.-B. & Yang, M.-S. (2011). Acta Cryst. E67, m1571.  Web of Science CSD CrossRef IUCr Journals Google Scholar

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