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Acta Cryst. (2008). E64, m160    [ doi:10.1107/S1600536807065440 ]

Bis[1,3-bis(diphenylphosphinoylimino)isoindolinato-[kappa]3O,N,O']calcium(II)

Z. Li, D. Shang and J. Guo

Abstract top

In the title compound, [Ca(C32H24N3O2P2)2], the 1,3-bis(diphenylphosphinoylimino)isoindoline ligand adopts a tridentate coordination mode. The compound exhibits a distorted octahedral geometry. The Ca atom lies on a twofold rotation axis.

Comment top

The bis(N-diphenylphosphinato)-isoindoline-1,3-diimine ligand is a new type of tridentate ligand (Shang, 2007). There are six atoms coordinated to calcium ion, the four oxygen atoms are approximately in an equatorial plane with calcium(II), the mean deviation from the plane is 0.3218Å and the two nitrogen atoms are in axial positions [N2—Ca—N2i 165.55 (9)° (symmetry code i: -x, y, 1/2 - z)]. Because the calcium ion is coordinated via two oxygen of the tridentate ligand, two six-membered rings of O1—P1—N1—C13—N2—Ca1 and O2i—P2i—N3i—C20—N2—Ca1 are formed. The dihedral angles between the two six-membered rings and the isoindoline ring are 12.5° and 14.0° respectively. The Ca—O and Ca—N bond lengths of the compound are 2.2581 (18) [Ca1—O1], 2.2646 (18) [Ca1—O2] and 2.5513 (18) [Ca1—N2] Å, respectively. The values are comparable to the octahedral compound [Ca(o-TolForm)2(thf)2], which can provide four nitrogen and two oxygen atoms to coordinate calcium(II), the average bond length of Ca—O is 2.368 (2) and Ca—N is 2.43 (2)Å (Cole et al., 2006).

Related literature top

For a related compound with similar octahedral geometry, see: Cole et al. (2006). For related literature, see: Shang (2007).

Experimental top

The red crystal of bis(N-diphenylphosphinato)-isoindoline-1,3-diimine (Shang, 2007) (0.287 g, 0.53 mmol) was dissolved in absolute ethanol (20 ml), the calcium chloride (0.060 g, 0.53 mmol) was added to the solution in room temperature and the mixture was reacted for 24 h before getting the clear yellow solution, the solvent was evaporated slowly to give pink crystals of title compund. Yield: 0.14 g, 47%. Spectroscopic analysis, 1H NMR (300 MHz, CDCl3, δ): 7.73–7.88(m, 16H, phenyl; 4H, isoindoline); 7.51–7.54 (t, 4H, J=8.1, isoindoline); 7.10–7.27 (m, 24H, phenyl). 31P-{1H} NMR (300 MHz, CDCl3, δ): 20.2(s).

Refinement top

H atoms were placed in their idealized positions and allowed to ride on the respective parent atoms with C—H 0.93 Å, and with Uiso(H) = 1.2Ueq (parent atom).

Computing details top

Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2000); data reduction: SAINT (Bruker, 2000); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL/PC (Sheldrick, 1999); software used to prepare material for publication: SHELXTL/PC(Sheldrick, 1999).

Figures top
[Figure 1] Fig. 1. Molecular structure of I, showing the atom-labeling scheme and 20% probability displacement ellipsoids. Symmetry codes: (i) -x, y, -z + 1/2.
Bis[1,3-bis(diphenylphosphinoylimino)isoindolinato-κ3O,N,O']calcium(II) top
Crystal data top
[Ca(C32H24N3O2P2)2]F000 = 2344
Mr = 1129.04Dx = 1.333 Mg m−3
Monoclinic, C2/cMo Kα radiation
λ = 0.71073 Å
Hall symbol: -C 2ycCell parameters from 4426 reflections
a = 26.351 (2) Åθ = 2.4–25.9º
b = 12.4790 (11) ŵ = 0.28 mm−1
c = 21.1997 (19) ÅT = 293 (2) K
β = 126.1720 (10)ºBlock, pink
V = 5627.4 (9) Å30.20 × 0.15 × 0.10 mm
Z = 4
Data collection top
Bruker SMART CCD
diffractometer		4959 independent reflections
Radiation source: fine-focus sealed tube4175 reflections with I > 2σ(I)
Monochromator: graphiteRint = 0.019
T = 293(2) Kθmax = 25.0º
ω scanθmin = 1.9º
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)		h = −31→17
Tmin = 0.837, Tmax = 0.973k = −14→14
11452 measured reflectionsl = −22→25
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.050H-atom parameters constrained
wR(F2) = 0.135  w = 1/[σ2(Fo2) + (0.075P)2 + 4.1489P]
where P = (Fo2 + 2Fc2)/3
S = 1.04(Δ/σ)max = 0.001
4959 reflectionsΔρmax = 0.40 e Å−3
357 parametersΔρmin = −0.25 e Å−3
Primary atom site location: structure-invariant direct methodsExtinction correction: none
Crystal data top
[Ca(C32H24N3O2P2)2]V = 5627.4 (9) Å3
Mr = 1129.04Z = 4
Monoclinic, C2/cMo Kα
a = 26.351 (2) ŵ = 0.28 mm−1
b = 12.4790 (11) ÅT = 293 (2) K
c = 21.1997 (19) Å0.20 × 0.15 × 0.10 mm
β = 126.1720 (10)º
Data collection top
Bruker SMART CCD
diffractometer		4959 independent reflections
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)		4175 reflections with I > 2σ(I)
Tmin = 0.837, Tmax = 0.973Rint = 0.019
11452 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.050357 parameters
wR(F2) = 0.135H-atom parameters constrained
S = 1.04Δρmax = 0.40 e Å−3
4959 reflectionsΔρmin = −0.25 e Å−3
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
Ca10.00000.39576 (5)0.25000.03918 (18)
P10.12637 (3)0.56655 (5)0.33048 (4)0.04665 (19)
P20.02345 (3)0.23193 (6)0.13903 (4)0.0498 (2)
O10.06204 (8)0.53300 (15)0.26479 (10)0.0621 (5)
O20.04545 (8)0.27801 (16)0.21607 (10)0.0620 (5)
N10.16798 (9)0.49240 (15)0.40938 (11)0.0447 (5)
N20.09048 (8)0.37004 (14)0.39391 (10)0.0401 (4)
N3−0.05179 (10)0.22572 (18)0.06938 (12)0.0553 (6)
C10.17484 (14)0.57710 (19)0.29706 (17)0.0566 (7)
C20.23898 (16)0.5685 (3)0.3464 (2)0.0778 (9)
H2B0.25920.55830.39960.093*
C30.2736 (2)0.5750 (4)0.3164 (4)0.1129 (15)
H3B0.31710.56840.35020.135*
C40.2464 (4)0.5902 (4)0.2414 (5)0.137 (2)
H4A0.27070.59470.22280.164*
C50.1831 (4)0.5992 (4)0.1915 (3)0.1284 (19)
H5A0.16410.61050.13860.154*
C60.1460 (2)0.5919 (3)0.2183 (2)0.0868 (10)
H6A0.10250.59700.18360.104*
C70.12490 (12)0.6964 (2)0.36669 (15)0.0547 (6)
C80.07017 (16)0.7308 (3)0.3552 (2)0.0752 (9)
H8A0.03400.68910.32690.090*
C90.0699 (2)0.8278 (4)0.3864 (3)0.1074 (14)
H9A0.03300.85130.37840.129*
C100.1221 (2)0.8895 (3)0.4283 (3)0.1118 (15)
H10A0.12110.95390.44960.134*
C110.1762 (2)0.8569 (3)0.4391 (2)0.0951 (12)
H11A0.21200.89960.46720.114*
C120.17765 (14)0.7608 (2)0.40839 (18)0.0681 (8)
H12A0.21460.73900.41580.082*
C130.14975 (10)0.41314 (16)0.43053 (13)0.0380 (5)
C140.19536 (10)0.35340 (17)0.50380 (12)0.0391 (5)
C150.25946 (11)0.36174 (19)0.55869 (14)0.0460 (5)
H15A0.28230.41530.55530.055*
C160.28879 (12)0.2881 (2)0.61895 (14)0.0513 (6)
H16A0.33210.29190.65660.062*
C170.25463 (13)0.2089 (2)0.62393 (14)0.0547 (6)
H17A0.27520.16030.66510.066*
C180.19053 (12)0.2007 (2)0.56887 (14)0.0508 (6)
H18A0.16750.14730.57210.061*
C190.16168 (11)0.27412 (18)0.50904 (13)0.0415 (5)
C200.09548 (11)0.28795 (18)0.44013 (13)0.0426 (5)
C210.05040 (12)0.0949 (2)0.15292 (17)0.0561 (7)
C220.05167 (16)0.0416 (2)0.0977 (2)0.0803 (9)
H22A0.03690.07560.05080.096*
C230.0743 (2)−0.0612 (3)0.1100 (3)0.1070 (15)
H23A0.0739−0.09610.07100.128*
C240.0965 (2)−0.1109 (4)0.1762 (4)0.136 (2)
H24A0.1124−0.18000.18420.163*
C250.0960 (2)−0.0614 (4)0.2325 (3)0.127 (2)
H25A0.1112−0.09700.27900.152*
C260.07300 (17)0.0426 (3)0.2215 (2)0.0937 (12)
H26A0.07300.07640.26060.112*
C270.05800 (14)0.2982 (2)0.09748 (17)0.0580 (7)
C280.12267 (17)0.2995 (3)0.1398 (2)0.0836 (10)
H28A0.14720.26870.18930.100*
C290.1514 (2)0.3465 (4)0.1089 (3)0.1113 (14)
H29A0.19490.34600.13740.134*
C300.1164 (3)0.3927 (4)0.0380 (3)0.1186 (17)
H30A0.13580.42420.01750.142*
C310.0531 (3)0.3935 (4)−0.0037 (3)0.1218 (16)
H31A0.02920.4266−0.05230.146*
C320.0238 (2)0.3460 (3)0.0250 (2)0.0955 (11)
H32A−0.01990.3459−0.00500.115*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ca10.0386 (4)0.0401 (3)0.0360 (3)0.0000.0204 (3)0.000
P10.0463 (4)0.0371 (3)0.0518 (4)−0.0034 (3)0.0263 (3)0.0065 (3)
P20.0419 (4)0.0577 (4)0.0489 (4)0.0108 (3)0.0264 (3)−0.0027 (3)
O10.0561 (11)0.0557 (11)0.0553 (10)−0.0095 (9)0.0223 (9)0.0121 (8)
O20.0436 (10)0.0838 (13)0.0508 (10)0.0106 (9)0.0235 (8)−0.0090 (9)
N10.0411 (10)0.0383 (10)0.0520 (11)−0.0033 (8)0.0259 (9)0.0042 (8)
N20.0379 (10)0.0403 (10)0.0422 (10)−0.0024 (8)0.0236 (9)0.0005 (8)
N30.0466 (12)0.0641 (13)0.0494 (12)0.0124 (10)0.0252 (10)−0.0099 (10)
C10.0760 (19)0.0373 (12)0.0700 (17)−0.0044 (12)0.0506 (15)0.0060 (12)
C20.078 (2)0.073 (2)0.107 (3)0.0026 (16)0.068 (2)0.0189 (18)
C30.115 (3)0.099 (3)0.179 (5)0.010 (2)0.117 (4)0.033 (3)
C40.209 (6)0.100 (3)0.214 (7)0.000 (4)0.188 (6)0.021 (4)
C50.230 (7)0.102 (3)0.125 (4)−0.022 (4)0.145 (5)0.002 (3)
C60.123 (3)0.073 (2)0.079 (2)−0.011 (2)0.068 (2)0.0041 (17)
C70.0567 (15)0.0437 (13)0.0543 (14)0.0071 (12)0.0276 (13)0.0102 (11)
C80.0617 (19)0.074 (2)0.083 (2)0.0110 (15)0.0385 (17)0.0006 (17)
C90.092 (3)0.108 (3)0.121 (3)0.033 (3)0.062 (3)−0.007 (3)
C100.123 (4)0.075 (2)0.100 (3)0.025 (3)0.045 (3)−0.020 (2)
C110.097 (3)0.0507 (18)0.093 (2)0.0058 (18)0.032 (2)−0.0062 (17)
C120.0599 (17)0.0423 (14)0.0785 (19)0.0003 (12)0.0277 (15)0.0001 (13)
C130.0405 (12)0.0342 (11)0.0434 (12)−0.0013 (9)0.0271 (10)−0.0025 (9)
C140.0411 (12)0.0358 (11)0.0413 (12)−0.0008 (9)0.0247 (10)−0.0031 (9)
C150.0409 (13)0.0422 (12)0.0499 (13)−0.0036 (10)0.0240 (11)−0.0022 (10)
C160.0417 (13)0.0513 (14)0.0450 (13)0.0003 (11)0.0168 (11)−0.0042 (11)
C170.0599 (16)0.0496 (14)0.0438 (13)0.0060 (12)0.0246 (13)0.0061 (11)
C180.0520 (15)0.0495 (13)0.0479 (13)−0.0043 (11)0.0277 (12)0.0077 (11)
C190.0439 (13)0.0428 (12)0.0404 (11)−0.0031 (10)0.0262 (10)−0.0004 (10)
C200.0435 (13)0.0458 (12)0.0399 (12)−0.0051 (10)0.0254 (10)0.0002 (10)
C210.0401 (14)0.0548 (15)0.0686 (17)0.0039 (11)0.0294 (13)0.0092 (13)
C220.094 (2)0.0589 (18)0.116 (3)0.0194 (17)0.078 (2)0.0013 (18)
C230.097 (3)0.062 (2)0.186 (5)0.015 (2)0.097 (3)−0.006 (3)
C240.082 (3)0.058 (2)0.201 (6)0.013 (2)0.046 (4)0.018 (3)
C250.122 (4)0.066 (3)0.110 (3)−0.002 (2)0.023 (3)0.035 (2)
C260.093 (3)0.075 (2)0.077 (2)−0.0154 (19)0.030 (2)0.0097 (18)
C270.0699 (18)0.0457 (14)0.0656 (16)0.0075 (12)0.0440 (15)−0.0001 (12)
C280.075 (2)0.091 (2)0.089 (2)−0.0115 (18)0.0504 (19)0.0041 (19)
C290.111 (3)0.110 (3)0.145 (4)−0.030 (3)0.093 (3)−0.004 (3)
C300.185 (5)0.087 (3)0.144 (4)−0.023 (3)0.130 (4)0.002 (3)
C310.161 (5)0.121 (4)0.110 (3)0.015 (3)0.095 (4)0.040 (3)
C320.103 (3)0.103 (3)0.083 (2)0.023 (2)0.056 (2)0.029 (2)
Geometric parameters (Å, °) top
Ca1—O12.2581 (18)C10—H10A0.9300
Ca1—O1i2.2581 (18)C11—C121.376 (4)
Ca1—O22.2646 (18)C11—H11A0.9300
Ca1—O2i2.2646 (18)C12—H12A0.9300
Ca1—N2i2.5513 (18)C13—C141.486 (3)
Ca1—N22.5513 (18)C14—C191.377 (3)
Ca1—P23.4369 (8)C14—C151.377 (3)
Ca1—P2i3.4369 (8)C15—C161.381 (3)
Ca1—P13.4403 (7)C15—H15A0.9300
Ca1—P1i3.4403 (7)C16—C171.382 (4)
P1—O11.4837 (18)C16—H16A0.9300
P1—N11.6406 (19)C17—C181.378 (4)
P1—C11.794 (3)C17—H17A0.9300
P1—C71.803 (3)C18—C191.374 (3)
P2—O21.4888 (19)C18—H18A0.9300
P2—N31.631 (2)C19—C201.483 (3)
P2—C271.799 (3)C20—N3i1.302 (3)
P2—C211.808 (3)C21—C221.363 (4)
N1—C131.290 (3)C21—C261.367 (4)
N2—C201.369 (3)C22—C231.373 (5)
N2—C131.378 (3)C22—H22A0.9300
N3—C20i1.302 (3)C23—C241.313 (7)
C1—C21.369 (4)C23—H23A0.9300
C1—C61.379 (4)C24—C251.351 (8)
C2—C31.388 (5)C24—H24A0.9300
C2—H2B0.9300C25—C261.393 (6)
C3—C41.316 (8)C25—H25A0.9300
C3—H3B0.9300C26—H26A0.9300
C4—C51.354 (7)C27—C321.377 (4)
C4—H4A0.9300C27—C281.380 (4)
C5—C61.393 (6)C28—C291.390 (5)
C5—H5A0.9300C28—H28A0.9300
C6—H6A0.9300C29—C301.344 (7)
C7—C81.382 (4)C29—H29A0.9300
C7—C121.382 (4)C30—C311.350 (7)
C8—C91.381 (5)C30—H30A0.9300
C8—H8A0.9300C31—C321.366 (6)
C9—C101.353 (6)C31—H31A0.9300
C9—H9A0.9300C32—H32A0.9300
C10—C111.365 (6)
O1—Ca1—O1i81.34 (11)C4—C5—H5A119.5
O1—Ca1—O293.49 (8)C6—C5—H5A119.5
O1i—Ca1—O2157.41 (7)C1—C6—C5119.0 (4)
O1—Ca1—O2i157.41 (7)C1—C6—H6A120.5
O1i—Ca1—O2i93.49 (8)C5—C6—H6A120.5
O2—Ca1—O2i99.09 (11)C8—C7—C12118.9 (3)
O1—Ca1—N2i110.51 (6)C8—C7—P1119.1 (2)
O1i—Ca1—N2i80.81 (6)C12—C7—P1121.9 (2)
O2—Ca1—N2i80.48 (6)C9—C8—C7119.2 (3)
O2i—Ca1—N2i90.12 (6)C9—C8—H8A120.4
O1—Ca1—N280.81 (6)C7—C8—H8A120.4
O1i—Ca1—N2110.51 (6)C10—C9—C8121.5 (4)
O2—Ca1—N290.12 (6)C10—C9—H9A119.2
O2i—Ca1—N280.48 (6)C8—C9—H9A119.2
N2i—Ca1—N2165.55 (9)C9—C10—C11119.8 (4)
O1—Ca1—P297.95 (6)C9—C10—H10A120.1
O1i—Ca1—P2139.82 (5)C11—C10—H10A120.1
O2—Ca1—P218.93 (4)C10—C11—C12119.9 (4)
O2i—Ca1—P2100.02 (6)C10—C11—H11A120.0
N2i—Ca1—P261.66 (4)C12—C11—H11A120.0
N2—Ca1—P2108.97 (4)C11—C12—C7120.7 (3)
O1—Ca1—P2i139.82 (5)C11—C12—H12A119.6
O1i—Ca1—P2i97.95 (6)C7—C12—H12A119.6
O2—Ca1—P2i100.02 (6)N1—C13—N2129.4 (2)
O2i—Ca1—P2i18.93 (4)N1—C13—C14120.7 (2)
N2i—Ca1—P2i108.97 (5)N2—C13—C14109.96 (18)
N2—Ca1—P2i61.66 (4)C19—C14—C15120.9 (2)
P2—Ca1—P2i107.00 (3)C19—C14—C13106.42 (19)
O1—Ca1—P118.51 (4)C15—C14—C13132.6 (2)
O1i—Ca1—P190.49 (5)C14—C15—C16118.0 (2)
O2—Ca1—P191.20 (5)C14—C15—H15A121.0
O2i—Ca1—P1141.54 (5)C16—C15—H15A121.0
N2i—Ca1—P1128.23 (4)C15—C16—C17120.8 (2)
N2—Ca1—P162.42 (4)C15—C16—H16A119.6
P2—Ca1—P1101.274 (17)C17—C16—H16A119.6
P2i—Ca1—P1122.787 (15)C18—C17—C16121.1 (2)
O1—Ca1—P1i90.49 (5)C18—C17—H17A119.5
O1i—Ca1—P1i18.51 (4)C16—C17—H17A119.5
O2—Ca1—P1i141.54 (5)C19—C18—C17117.8 (2)
O2i—Ca1—P1i91.20 (5)C19—C18—H18A121.1
N2i—Ca1—P1i62.42 (4)C17—C18—H18A121.1
N2—Ca1—P1i128.23 (4)C18—C19—C14121.4 (2)
P2—Ca1—P1i122.787 (15)C18—C19—C20132.5 (2)
P2i—Ca1—P1i101.274 (17)C14—C19—C20106.04 (19)
P1—Ca1—P1i103.44 (3)N3i—C20—N2129.2 (2)
O1—P1—N1120.24 (10)N3i—C20—C19120.1 (2)
O1—P1—C1109.60 (13)N2—C20—C19110.65 (18)
N1—P1—C1103.94 (12)C22—C21—C26117.6 (3)
O1—P1—C7110.69 (12)C22—C21—P2121.9 (2)
N1—P1—C7104.01 (11)C26—C21—P2120.4 (3)
C1—P1—C7107.54 (12)C21—C22—C23121.3 (4)
N1—P1—Ca191.43 (7)C21—C22—H22A119.3
C1—P1—Ca1123.78 (9)C23—C22—H22A119.3
C7—P1—Ca1120.67 (9)C24—C23—C22120.9 (5)
O2—P2—N3119.32 (10)C24—C23—H23A119.5
O2—P2—C27112.18 (13)C22—C23—H23A119.5
N3—P2—C27105.94 (13)C23—C24—C25119.8 (4)
O2—P2—C21108.99 (13)C23—C24—H24A120.1
N3—P2—C21104.66 (12)C25—C24—H24A120.1
C27—P2—C21104.56 (12)C24—C25—C26120.5 (4)
N3—P2—Ca191.97 (7)C24—C25—H25A119.7
C27—P2—Ca1114.13 (9)C26—C25—H25A119.7
C21—P2—Ca1131.54 (10)C21—C26—C25119.7 (4)
P1—O1—Ca1132.60 (10)C21—C26—H26A120.1
P2—O2—Ca1131.50 (10)C25—C26—H26A120.1
C13—N1—P1128.67 (17)C32—C27—C28117.7 (3)
C20—N2—C13106.88 (18)C32—C27—P2124.0 (3)
C20—N2—Ca1125.26 (14)C28—C27—P2118.3 (2)
C13—N2—Ca1124.95 (14)C27—C28—C29120.3 (4)
C20i—N3—P2127.09 (18)C27—C28—H28A119.9
C2—C1—C6119.0 (3)C29—C28—H28A119.9
C2—C1—P1122.6 (2)C30—C29—C28120.3 (4)
C6—C1—P1118.4 (3)C30—C29—H29A119.9
C1—C2—C3119.6 (4)C28—C29—H29A119.9
C1—C2—H2B120.2C29—C30—C31120.1 (4)
C3—C2—H2B120.2C29—C30—H30A120.0
C4—C3—C2121.7 (5)C31—C30—H30A120.0
C4—C3—H3B119.1C30—C31—C32120.7 (4)
C2—C3—H3B119.1C30—C31—H31A119.7
C3—C4—C5119.8 (4)C32—C31—H31A119.7
C3—C4—H4A120.1C31—C32—C27121.0 (4)
C5—C4—H4A120.1C31—C32—H32A119.5
C4—C5—C6120.9 (5)C27—C32—H32A119.5
Symmetry codes: (i) −x, y, −z+1/2.
Table 1
Selected geometric parameters (Å, °) top
Ca1—O12.2581 (18)P1—O11.4837 (18)
Ca1—O22.2646 (18)P2—O21.4888 (19)
Ca1—N22.5513 (18)
O1—Ca1—O1i81.34 (11)O2—Ca1—N2i80.48 (6)
O1—Ca1—O293.49 (8)O1—Ca1—N280.81 (6)
O1—Ca1—O2i157.41 (7)O2—Ca1—N290.12 (6)
O2—Ca1—O2i99.09 (11)N2i—Ca1—N2165.55 (9)
O1—Ca1—N2i110.51 (6)
Symmetry codes: (i) −x, y, −z+1/2.
Acknowledgements top

This work was carried out under the sponsorship of the Overseas Foundation of Shanxi Province, People's Republic of China.

references
References top

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