data_2008200
_journal_name_full  'Acta Crystallographica'
_journal_year  1999
_journal_volume  C55
_journal_page_first  365
_journal_page_last  368
_publ_section_title
;
A dimeric form of the nickel(II) thiocyanate complex of
bis(3-aminopropyl)methylamine
;
loop_
_publ_author_name
  'Mukherjee, Alok K.'
  'Nayak, Nirmalya P.'
  'Mondal, Arunendu'
  'Chaudhuri, Nirmalendu Ray'
_chemical_name_common
;
'Nickel(II) Thiocyanate complex of Bis( 3 - Aminopropyl) methylamine'
;
_chemical_formula_moiety  'C18 H38 N10 Ni2 S4'
_chemical_formula_sum  'C18 H38 N10 Ni2 S4'
_chemical_formula_structural  'C18 H38 N10 Ni2 S4'
_chemical_formula_analytical  'C18 H38 N10 Ni2 S4'
_chemical_formula_iupac  '[Ni2 (N C S)4 (C7 H19 N3)2]'
_chemical_formula_weight  640.24
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, -z'
_cell_length_a  7.720(6)
_cell_length_b  13.7200(10)
_cell_length_c  15.161(3)
_cell_angle_alpha  63.300(10)
_cell_angle_beta  88.10(5)
_cell_angle_gamma  86.56(5)
_cell_volume  1432.0(12)
_cell_formula_units_Z  2
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.485
_diffrn_ambient_temperature  293(2)
_refine_ls_R_factor_obs  0.039
_refine_ls_wR_factor_obs  0.095
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
  Ni1 0.64786(5) 0.20926(3) 0.45985(3) 0.03463(11) Uani d . 1 . Ni
  Ni2 0.23212(5) 0.14925(3) 0.03079(3) 0.03276(11) Uani d . 1 . Ni
  S1 0.22147(12) -0.00060(8) 0.40070(7) 0.0481(2) Uani d . 1 . S
  S2 0.35041(14) 0.53172(8) 0.22178(8) 0.0580(3) Uani d . 1 . S
  S3 0.71248(11) 0.08025(8) -0.13718(7) 0.0470(2) Uani d . 1 . S
  S4 -0.25261(12) 0.01121(8) 0.25257(8) 0.0513(2) Uani d . 1 . S
  N1 0.5038(5) 0.2070(3) 0.5785(3) 0.0684(10) Uani d . 1 . N
  N2 0.8489(4) 0.2983(2) 0.4863(2) 0.0419(6) Uani d . 1 . N
  N3 0.8064(4) 0.1752(2) 0.3652(2) 0.0466(7) Uani d . 1 . N
  N4 0.4544(4) 0.1265(2) 0.4337(3) 0.0587(9) Uani d . 1 . N
  N5 0.5398(4) 0.3524(2) 0.3576(3) 0.0564(8) Uani d . 1 . N
  N6 0.3570(4) 0.1515(2) 0.1479(2) 0.0458(7) Uani d . 1 . N
  N7 0.1653(4) 0.3217(2) -0.0423(2) 0.0417(6) Uani d . 1 . N
  N8 0.1221(4) 0.1204(2) -0.0774(2) 0.0406(6) Uani d . 1 . N
  N9 0.4658(4) 0.1546(2) -0.0396(2) 0.0465(7) Uani d . 1 . N
  N10 0.0099(4) 0.1051(3) 0.1162(2) 0.0465(7) Uani d . 1 . N
  C1 0.4857(9) 0.3069(4) 0.5917(4) 0.099(2) Uani d . 1 . C
  C2 0.6572(10) 0.3407(5) 0.6058(4) 0.103(2) Uani d . 1 . C
  C3 0.7723(7) 0.3812(3) 0.5163(3) 0.0642(11) Uani d . 1 . C
  C4 0.9717(6) 0.2229(3) 0.5623(3) 0.0734(14) Uani d . 1 . C
  C5 0.9460(5) 0.3629(3) 0.3935(3) 0.0522(9) Uani d . 1 . C
  C6 1.0298(6) 0.3018(4) 0.3402(4) 0.0706(13) Uani d . 1 . C
  C7 0.9086(6) 0.2614(3) 0.2916(3) 0.0642(11) Uani d . 1 . C
  C8 0.3594(4) 0.0742(3) 0.4203(2) 0.0422(8) Uani d . 1 . C
  C9 0.4614(4) 0.4268(3) 0.3008(2) 0.0381(7) Uani d . 1 . C
  C10 0.4382(6) 0.2500(4) 0.1371(3) 0.0627(11) Uani d . 1 . C
  C11 0.3205(7) 0.3503(4) 0.0888(3) 0.0717(13) Uani d . 1 . C
  C12 0.2875(6) 0.3859(3) -0.0192(3) 0.0602(11) Uani d . 1 . C
  C13 -0.0130(6) 0.3457(4) -0.0160(3) 0.0654(12) Uani d . 1 . C
  C14 0.1744(6) 0.3657(3) -0.1526(3) 0.0546(10) Uani d . 1 . C
  C15 0.0678(6) 0.3115(3) -0.1980(3) 0.0563(10) Uani d . 1 . C
  C16 0.1372(5) 0.2005(3) -0.1815(2) 0.0442(8) Uani d . 1 . C
  C17 0.5675(4) 0.1238(3) -0.0796(2) 0.0375(7) Uani d . 1 . C
  C18 -0.0982(4) 0.0668(3) 0.1728(2) 0.0351(7) Uani d . 1 . C
  H1 0.3955 0.1887 0.5731 0.080 Uiso d . 1 . H
  H2 0.5495 0.1534 0.6337 0.080 Uiso d . 1 . H
  H3 0.8809 0.1197 0.4020 0.050 Uiso d . 1 . H
  H4 0.7397 0.1505 0.3326 0.050 Uiso d . 1 . H
  H5 0.4138 0.2937 0.6494 0.120 Uiso d . 1 . H
  H6 0.4304 0.3652 0.5349 0.120 Uiso d . 1 . H
  H7 0.7165 0.2798 0.6593 0.123 Uiso d . 1 . H
  H8 0.6383 0.3989 0.6259 0.123 Uiso d . 1 . H
  H9 0.7064 0.4356 0.4612 0.076 Uiso d . 1 . H
  H10 0.8670 0.4173 0.5278 0.076 Uiso d . 1 . H
  H11 1.0212 0.1698 0.5423 0.089 Uiso d . 1 . H
  H12 0.9123 0.1867 0.6239 0.089 Uiso d . 1 . H
  H13 1.0632 0.2637 0.5691 0.089 Uiso d . 1 . H
  H14 1.0365 0.3991 0.4090 0.063 Uiso d . 1 . H
  H15 0.8671 0.4198 0.3482 0.063 Uiso d . 1 . H
  H16 1.1090 0.3492 0.2907 0.085 Uiso d . 1 . H
  H17 1.0982 0.2395 0.3874 0.085 Uiso d . 1 . H
  H18 0.8313 0.3216 0.2485 0.076 Uiso d . 1 . H
  H19 0.9737 0.2336 0.2511 0.076 Uiso d . 1 . H
  H20 0.2798 0.1337 0.1978 0.055 Uiso d . 1 . H
  H21 0.4405 0.0973 0.1676 0.055 Uiso d . 1 . H
  H22 0.1680 0.0560 -0.0717 0.050 Uiso d . 1 . H
  H23 0.0081 0.1119 -0.0632 0.050 Uiso d . 1 . H
  H24 0.5434 0.2596 0.0980 0.072 Uiso d . 1 . H
  H25 0.4703 0.2409 0.2019 0.072 Uiso d . 1 . H
  H26 0.3697 0.4094 0.0960 0.086 Uiso d . 1 . H
  H27 0.2096 0.3361 0.1237 0.086 Uiso d . 1 . H
  H28 0.2435 0.4615 -0.0485 0.071 Uiso d . 1 . H
  H29 0.3978 0.3836 -0.0510 0.071 Uiso d . 1 . H
  H30 -0.0931 0.3044 -0.0312 0.080 Uiso d . 1 . H
  H31 -0.0430 0.4225 -0.0539 0.080 Uiso d . 1 . H
  H32 -0.0196 0.3268 0.0528 0.080 Uiso d . 1 . H
  H33 0.2946 0.3608 -0.1713 0.065 Uiso d . 1 . H
  H34 0.1381 0.4428 -0.1817 0.065 Uiso d . 1 . H
  H35 -0.0491 0.3047 -0.1703 0.070 Uiso d . 1 . H
  H36 0.0590 0.3580 -0.2682 0.070 Uiso d . 1 . H
  H37 0.0744 0.1770 -0.2223 0.053 Uiso d . 1 . H
  H38 0.2586 0.2045 -0.2016 0.053 Uiso d . 1 . H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Ni1 0.0284(2) 0.0317(2) 0.0385(2) -0.0018(2) -0.0027(2) -0.0108(2)
  Ni2 0.0280(2) 0.0396(2) 0.0283(2) 0.0000(2) 0.00362(15) -0.0136(2)
  S1 0.0434(5) 0.0504(5) 0.0469(5) -0.0111(4) -0.0062(4) -0.0172(4)
  S2 0.0581(6) 0.0466(5) 0.0593(6) 0.0158(4) -0.0188(5) -0.0158(5)
  S3 0.0364(4) 0.0509(5) 0.0463(5) 0.0005(4) 0.0117(4) -0.0163(4)
  S4 0.0381(5) 0.0579(6) 0.0587(6) -0.0113(4) 0.0166(4) -0.0269(5)
  N1 0.064(2) 0.053(2) 0.076(2) -0.007(2) 0.034(2) -0.020(2)
  N2 0.050(2) 0.0346(14) 0.0400(15) -0.0068(12) -0.0088(13) -0.0144(12)
  N3 0.057(2) 0.044(2) 0.042(2) -0.0055(14) 0.0001(14) -0.0220(13)
  N4 0.043(2) 0.039(2) 0.080(2) -0.0035(14) -0.021(2) -0.012(2)
  N5 0.046(2) 0.040(2) 0.067(2) 0.0017(14) -0.015(2) -0.009(2)
  N6 0.043(2) 0.056(2) 0.0351(14) -0.0024(13) -0.0007(12) -0.0176(13)
  N7 0.049(2) 0.0404(15) 0.0348(14) 0.0044(12) 0.0002(12) -0.0165(12)
  N8 0.042(2) 0.042(2) 0.0375(14) -0.0022(12) 0.0011(12) -0.0179(12)
  N9 0.037(2) 0.049(2) 0.047(2) -0.0020(13) 0.0078(13) -0.0159(14)
  N10 0.038(2) 0.055(2) 0.045(2) 0.0004(13) 0.0076(13) -0.0223(14)
  C1 0.134(5) 0.062(3) 0.093(4) -0.006(3) 0.076(4) -0.034(3)
  C2 0.183(7) 0.077(4) 0.067(3) -0.024(4) 0.037(4) -0.048(3)
  C3 0.096(3) 0.050(2) 0.056(2) -0.015(2) 0.001(2) -0.031(2)
  C4 0.078(3) 0.052(2) 0.076(3) -0.010(2) -0.044(3) -0.013(2)
  C5 0.046(2) 0.042(2) 0.062(2) -0.015(2) 0.004(2) -0.016(2)
  C6 0.052(2) 0.063(3) 0.091(3) -0.019(2) 0.033(2) -0.031(2)
  C7 0.079(3) 0.059(2) 0.049(2) -0.012(2) 0.028(2) -0.021(2)
  C8 0.033(2) 0.038(2) 0.043(2) -0.0007(14) -0.0064(14) -0.0069(15)
  C9 0.032(2) 0.038(2) 0.044(2) -0.0031(14) -0.0021(14) -0.0182(15)
  C10 0.069(3) 0.070(3) 0.054(2) -0.013(2) -0.012(2) -0.030(2)
  C11 0.103(4) 0.066(3) 0.061(3) -0.008(3) -0.005(3) -0.041(2)
  C12 0.088(3) 0.044(2) 0.053(2) -0.010(2) -0.002(2) -0.024(2)
  C13 0.063(3) 0.062(3) 0.063(3) 0.025(2) 0.002(2) -0.025(2)
  C14 0.082(3) 0.039(2) 0.034(2) -0.002(2) 0.001(2) -0.0091(15)
  C15 0.073(3) 0.052(2) 0.035(2) 0.012(2) -0.014(2) -0.013(2)
  C16 0.049(2) 0.053(2) 0.031(2) -0.001(2) -0.0006(14) -0.0191(15)
  C17 0.027(2) 0.041(2) 0.036(2) -0.0026(13) 0.0006(13) -0.0097(14)
  C18 0.030(2) 0.042(2) 0.037(2) 0.0030(13) -0.0003(13) -0.0220(14)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Ni1 N5 . 2.027(3) yes
  Ni1 N3 . 2.048(3) yes
  Ni1 N1 . 2.072(4) yes
  Ni1 N4 . 2.079(3) yes
  Ni1 N2 . 2.184(3) yes
  Ni1 S1 2_656 2.835(2) yes
  Ni2 N9 . 2.053(3) yes
  Ni2 N6 . 2.061(3) yes
  Ni2 N10 . 2.064(3) yes
  Ni2 N8 . 2.070(3) yes
  Ni2 N7 . 2.151(3) yes
  Ni2 S3 2_655 2.8320(10)
  yes
  S1 C8 . 1.643(4) no
  S2 C9 . 1.616(3) no
  S3 C17 . 1.642(3) no
  S4 C18 . 1.628(3) no
  N1 C1 . 1.469(6) no
  N1 H1 . 0.904(4) no
  N1 H2 . 0.895(4) no
  N2 C4 . 1.477(5) no
  N2 C5 . 1.488(5) no
  N2 C3 . 1.489(5) no
  N3 C7 . 1.460(5) no
  N3 H3 . 0.899(3) no
  N3 H4 . 0.902(3) no
  N4 C8 . 1.140(5) no
  N5 C9 . 1.150(4) no
  N6 C10 . 1.463(5) no
  N6 H20 . 0.899(3) no
  N6 H21 . 0.902(3) no
  N7 C12 . 1.478(5) no
  N7 C13 . 1.480(5) no
  N7 C14 . 1.503(4) no
  N8 C16 . 1.469(4) no
  N8 H22 . 0.900(3) no
  N8 H23 . 0.900(3) no
  N9 C17 . 1.149(4) no
  N10 C18 . 1.144(4) no
  C1 C2 . 1.483(9) no
  C1 H5 . 0.971(4) no
  C1 H6 . 0.963(6) no
  C2 C3 . 1.497(7) no
  C2 H7 . 0.967(7) no
  C2 H8 . 0.976(5) no
  C3 H9 . 0.968(5) no
  C3 H10 . 0.969(4) no
  C4 H11 . 0.962(5) no
  C4 H12 . 0.955(5) no
  C4 H13 . 0.963(4) no
  C5 C6 . 1.512(6) no
  C5 H14 . 0.973(4) no
  C5 H15 . 0.970(4) no
  C6 C7 . 1.482(7) no
  C6 H16 . 0.968(4) no
  C6 H17 . 0.971(5) no
  C7 H18 . 0.973(5) no
  C7 H19 . 0.971(4) no
  C10 C11 . 1.498(7) no
  C10 H24 . 0.969(5) no
  C10 H25 . 0.971(4) no
  C11 C12 . 1.510(6) no
  C11 H26 . 0.966(4) no
  C11 H27 . 0.973(5) no
  C12 H28 . 0.971(4) no
  C12 H29 . 0.970(5) no
  C13 H30 . 0.962(5) no
  C13 H31 . 0.963(4) no
  C13 H32 . 0.956(4) no
  C14 C15 . 1.508(6) no
  C14 H33 . 0.969(4) no
  C14 H34 . 0.972(4) no
  C15 C16 . 1.496(5) no
  C15 H35 . 0.975(4) no
  C15 H36 . 0.966(4) no
  C16 H37 . 0.969(3) no
  C16 H38 . 0.973(4) no