data_7050896
_journal_name_full  'New Journal of Chemistry'
_journal_year       2002
loop_
_publ_author_name
'Zilong Li'
'Wen-Hua Sun'
'Huaiming Hu'
'Biao Wu'
'Haijian Yang'
'Ning Zhu'
'Youliang Hu'
'Xuebing Leng'
'Honggen Wang'
_publ_section_title
;
Synthesis, characterization and their ethylene
oligomerization of novel nickel(II) complexes bearing N, P ligands
;
_chemical_name_common
'chloro(1-naphthyl)[8-(diphenylphosphino)quinoline]nickel(II)'
_chemical_formula_sum  'C29 H24.50 Cl N Ni O6 P'
_chemical_formula_weight  608.13
_symmetry_cell_setting  Monoclinic
_symmetry_space_group_name_H-M  'C 2/c'
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
_cell_length_a  18.606(5)
_cell_length_b  9.184(2)
_cell_length_c  34.005(9)
_cell_angle_alpha  90.00
_cell_angle_beta  96.381(5)
_cell_angle_gamma  90.00
_cell_volume  5774(3)
_cell_formula_units_Z  8
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.399
_diffrn_ambient_temperature  293(2)
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni1 Ni 0.22993(3) 1.01015(7) 0.142368(18) 0.0360(2) Uani 1 1 d . . .
Cl1 Cl 0.33937(6) 1.02510(15) 0.17493(4) 0.0503(4) Uani 1 1 d . . .
P1 P 0.13069(7) 1.01120(15) 0.10589(4) 0.0372(3) Uani 1 1 d . . .
N1 N 0.1832(2) 1.1390(4) 0.18001(12) 0.0395(11) Uani 1 1 d . . .
C31 C 0.2646(2) 0.8786(5) 0.10556(16) 0.0381(13) Uani 1 1 d . . .
C1 C 0.0757(3) 1.1283(5) 0.13356(15) 0.0386(13) Uani 1 1 d . . .
C2 C 0.0060(3) 1.1716(6) 0.12156(18) 0.0529(16) Uani 1 1 d . . .
H2A H -0.0177 1.1372 0.0979 0.063 Uiso 1 1 calc R . .
C3 C -0.0296(3) 1.2683(6) 0.1452(2) 0.0628(17) Uani 1 1 d . . .
H3A H -0.0771 1.2961 0.1372 0.075 Uiso 1 1 calc R . .
C4 C 0.0048(3) 1.3214(6) 0.17967(19) 0.0569(16) Uani 1 1 d . . .
H4A H -0.0192 1.3861 0.1947 0.068 Uiso 1 1 calc R . .
C5 C 0.0763(3) 1.2800(6) 0.19295(17) 0.0498(15) Uani 1 1 d . . .
C6 C 0.1148(4) 1.3271(7) 0.22888(18) 0.0638(17) Uani 1 1 d . . .
H6A H 0.0937 1.3916 0.2453 0.077 Uiso 1 1 calc R . .
C7 C 0.1827(3) 1.2773(7) 0.23913(17) 0.0624(18) Uani 1 1 d . . .
H7A H 0.2075 1.3046 0.2633 0.075 Uiso 1 1 calc R . .
C8 C 0.2156(3) 1.1862(6) 0.21416(16) 0.0498(15) Uani 1 1 d . . .
H8A H 0.2629 1.1566 0.2218 0.060 Uiso 1 1 calc R . .
C9 C 0.1115(3) 1.1834(5) 0.16924(16) 0.0400(13) Uani 1 1 d . . .
C10 C 0.0807(3) 0.8456(5) 0.09519(15) 0.0416(13) Uani 1 1 d . . .
C11 C 0.0238(3) 0.8057(7) 0.11594(17) 0.0597(17) Uani 1 1 d . . .
H11A H 0.0085 0.8687 0.1347 0.072 Uiso 1 1 calc R . .
C12 C -0.0111(4) 0.6703(8) 0.1089(2) 0.078(2) Uani 1 1 d . . .
H12A H -0.0490 0.6438 0.1231 0.093 Uiso 1 1 calc R . .
C13 C 0.0112(4) 0.5776(7) 0.0808(2) 0.084(2) Uani 1 1 d . . .
H13A H -0.0119 0.4887 0.0757 0.101 Uiso 1 1 calc R . .
C14 C 0.0683(4) 0.6174(7) 0.0600(2) 0.075(2) Uani 1 1 d . . .
H14A H 0.0833 0.5548 0.0411 0.090 Uiso 1 1 calc R . .
C15 C 0.1030(3) 0.7490(6) 0.06730(17) 0.0567(16) Uani 1 1 d . . .
H15A H 0.1417 0.7735 0.0535 0.068 Uiso 1 1 calc R . .
C16 C 0.1311(3) 1.1096(5) 0.05959(15) 0.0360(13) Uani 1 1 d . . .
C17 C 0.0855(3) 1.0792(6) 0.02571(17) 0.0517(15) Uani 1 1 d . . .
H17A H 0.0543 0.9998 0.0251 0.062 Uiso 1 1 calc R . .
C18 C 0.0862(3) 1.1673(7) -0.00751(17) 0.0640(17) Uani 1 1 d . . .
H18A H 0.0553 1.1461 -0.0302 0.077 Uiso 1 1 calc R . .
C19 C 0.1317(3) 1.2849(6) -0.00746(18) 0.0595(17) Uani 1 1 d . . .
H19A H 0.1320 1.3433 -0.0298 0.071 Uiso 1 1 calc R . .
C20 C 0.1760(3) 1.3139(6) 0.0257(2) 0.0610(17) Uani 1 1 d . . .
H20A H 0.2070 1.3933 0.0261 0.073 Uiso 1 1 calc R . .
C21 C 0.1765(3) 1.2291(6) 0.05912(17) 0.0494(15) Uani 1 1 d . . .
H21A H 0.2076 1.2522 0.0816 0.059 Uiso 1 1 calc R . .
C22 C 0.2886(3) 0.9210(6) 0.07084(17) 0.0511(15) Uani 1 1 d . . .
H22A H 0.2849 1.0187 0.0636 0.061 Uiso 1 1 calc R . .
C23 C 0.3190(3) 0.8220(8) 0.04539(18) 0.0699(19) Uani 1 1 d . . .
H23A H 0.3328 0.8546 0.0215 0.084 Uiso 1 1 calc R . .
C24 C 0.3282(3) 0.6779(7) 0.05580(19) 0.0659(18) Uani 1 1 d . . .
H24A H 0.3492 0.6133 0.0394 0.079 Uiso 1 1 calc R . .
C25 C 0.3055(3) 0.6297(6) 0.09170(18) 0.0475(15) Uani 1 1 d . . .
C26 C 0.3158(3) 0.4831(7) 0.1038(2) 0.0667(17) Uani 1 1 d . . .
H26A H 0.3381 0.4183 0.0880 0.080 Uiso 1 1 calc R . .
C27 C 0.2933(4) 0.4367(7) 0.1382(3) 0.083(2) Uani 1 1 d . . .
H27A H 0.3009 0.3403 0.1459 0.100 Uiso 1 1 calc R . .
C28 C 0.2591(4) 0.5313(7) 0.1623(2) 0.077(2) Uani 1 1 d . . .
H28A H 0.2439 0.4981 0.1859 0.092 Uiso 1 1 calc R . .
C29 C 0.2481(3) 0.6722(6) 0.15103(17) 0.0546(16) Uani 1 1 d . . .
H29A H 0.2244 0.7341 0.1670 0.065 Uiso 1 1 calc R . .
C30 C 0.2716(3) 0.7276(6) 0.11569(15) 0.0396(13) Uani 1 1 d . . .
O1 O 0.4031(7) 0.298(2) 0.2715(5) 0.240(9) Uani 0.50 1 d P . .
O2 O 0.505(2) 0.306(6) 0.2673(6) 0.39(4) Uani 0.25 1 d P . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ni1 0.0301(4) 0.0402(4) 0.0374(4) 0.0017(3) 0.0029(3) 0.0086(3)
Cl1 0.0331(7) 0.0575(10) 0.0582(9) -0.0046(7) -0.0050(6) 0.0107(7)
P1 0.0331(7) 0.0427(9) 0.0354(8) -0.0023(7) 0.0017(6) 0.0072(7)
N1 0.040(3) 0.044(3) 0.035(3) 0.001(2) 0.005(2) 0.010(2)
C31 0.024(3) 0.045(4) 0.045(4) 0.003(3) 0.001(3) 0.004(2)
C1 0.028(3) 0.042(3) 0.046(4) 0.002(3) 0.005(3) 0.008(2)
C2 0.032(3) 0.060(4) 0.067(4) -0.007(3) 0.011(3) 0.010(3)
C3 0.032(4) 0.075(5) 0.083(5) 0.006(4) 0.013(4) 0.019(3)
C4 0.048(4) 0.059(4) 0.066(5) -0.011(3) 0.016(3) 0.017(3)
C5 0.045(4) 0.055(4) 0.052(4) -0.007(3) 0.018(3) 0.009(3)
C6 0.070(5) 0.074(5) 0.050(4) -0.020(3) 0.018(4) 0.009(4)
C7 0.064(5) 0.086(5) 0.036(4) -0.014(3) 0.000(3) 0.009(4)
C8 0.048(4) 0.066(4) 0.034(4) -0.012(3) -0.003(3) 0.010(3)
C9 0.029(3) 0.047(4) 0.044(4) -0.001(3) 0.007(3) 0.007(3)
C10 0.040(3) 0.041(3) 0.042(4) 0.003(3) 0.000(3) 0.010(3)
C11 0.066(4) 0.064(5) 0.049(4) 0.010(3) 0.006(3) 0.001(4)
C12 0.075(5) 0.076(5) 0.081(6) 0.030(4) 0.003(4) -0.025(4)
C13 0.105(6) 0.045(4) 0.096(6) 0.002(4) -0.019(5) -0.010(4)
C14 0.081(5) 0.055(5) 0.089(6) -0.005(4) 0.010(4) 0.010(4)
C15 0.054(4) 0.042(4) 0.074(5) -0.003(3) 0.008(3) 0.004(3)
C16 0.033(3) 0.035(3) 0.040(3) -0.003(2) 0.006(3) 0.000(2)
C17 0.047(4) 0.059(4) 0.048(4) 0.013(3) 0.000(3) -0.014(3)
C18 0.067(4) 0.083(5) 0.039(4) 0.011(3) -0.007(3) -0.012(4)
C19 0.066(4) 0.061(4) 0.053(4) 0.017(3) 0.010(4) 0.000(3)
C20 0.057(4) 0.047(4) 0.078(5) 0.011(4) 0.004(4) -0.009(3)
C21 0.051(4) 0.044(4) 0.049(4) 0.003(3) -0.011(3) -0.001(3)
C22 0.056(4) 0.041(4) 0.060(4) 0.009(3) 0.022(3) 0.016(3)
C23 0.071(5) 0.095(6) 0.049(4) 0.009(4) 0.031(4) 0.020(4)
C24 0.063(4) 0.066(5) 0.070(5) -0.017(4) 0.009(4) 0.018(3)
C25 0.044(3) 0.035(4) 0.061(4) -0.006(3) -0.006(3) 0.009(3)
C26 0.067(4) 0.039(4) 0.090(5) -0.019(4) -0.007(4) 0.007(3)
C27 0.116(6) 0.032(4) 0.097(6) 0.007(4) -0.010(5) -0.010(4)
C28 0.112(6) 0.049(5) 0.070(5) 0.014(4) 0.017(4) -0.001(4)
C29 0.066(4) 0.037(4) 0.061(4) 0.003(3) 0.010(3) 0.002(3)
C30 0.031(3) 0.041(4) 0.046(4) 0.001(3) -0.001(3) 0.001(2)
O1 0.109(11) 0.39(2) 0.213(16) -0.209(16) -0.018(10) -0.030(12)
O2 0.33(4) 0.81(9) 0.038(17) 0.05(3) -0.01(2) 0.41(6)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ni1 C31 1.903(5) . ?
Ni1 N1 2.010(4) . ?
Ni1 P1 2.1071(15) . ?
Ni1 Cl1 2.2113(15) . ?
P1 C10 1.798(5) . ?
P1 C16 1.816(5) . ?
P1 C1 1.817(5) . ?
N1 C8 1.320(6) . ?
N1 C9 1.404(6) . ?
C31 C22 1.365(6) . ?
C31 C30 1.431(6) . ?
C1 C2 1.374(6) . ?
C1 C9 1.411(7) . ?
C2 C3 1.412(7) . ?
C3 C4 1.362(7) . ?
C4 C5 1.408(7) . ?
C5 C9 1.409(6) . ?
C5 C6 1.414(7) . ?
C6 C7 1.352(7) . ?
C7 C8 1.383(7) . ?
C10 C11 1.385(7) . ?
C10 C15 1.395(7) . ?
C11 C12 1.411(8) . ?
C12 C13 1.378(9) . ?
C13 C14 1.386(8) . ?
C14 C15 1.380(7) . ?
C16 C17 1.381(7) . ?
C16 C21 1.385(6) . ?
C17 C18 1.391(7) . ?
C18 C19 1.372(7) . ?
C19 C20 1.348(7) . ?
C20 C21 1.376(7) . ?
C22 C23 1.416(7) . ?
C23 C24 1.376(7) . ?
C24 C25 1.407(7) . ?
C25 C30 1.409(6) . ?
C25 C26 1.415(7) . ?
C26 C27 1.354(8) . ?
C27 C28 1.396(8) . ?
C28 C29 1.358(7) . ?
C29 C30 1.419(6) . ?
O2 O2 1.17(4) 2_655 ?