_space_group_crystal_system      orthorhombic
_space_group_name_H-M_alt        'P c a 21'

_cell_length_a                   10.3283(6)
_cell_length_b                   16.6955(10)
_cell_length_c                   15.2466(9)
_cell_volume                     2629.1(3)
_cell_formula_units_Z            4

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a

_refine_ls_number_reflns         4207
_refine_ls_number_parameters     263
_refine_ls_R_factor_all          0.0461
_refine_ls_R_factor_gt           0.0368

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni1 Ni 0.92815(4) 0.23456(3) 0.37495(5) 0.03102(17) Uani 1 1 d . . . . .
P1 P 1.09826(10) 0.16133(7) 0.39199(8) 0.0322(3) Uani 1 1 d . . . . .
P2 P 0.73901(10) 0.29199(7) 0.37608(12) 0.0367(3) Uani 1 1 d . . . . .
O1 O 1.0247(4) 0.2968(3) 0.2954(3) 0.0663(14) Uani 1 1 d . . . . .
C1 C 0.8496(4) 0.1596(3) 0.4542(3) 0.0332(11) Uani 1 1 d . . . . .
C2 C 0.7290(5) 0.1751(3) 0.4957(3) 0.0380(12) Uani 1 1 d . . . . .
C3 C 0.6772(5) 0.1221(3) 0.5576(4) 0.0462(13) Uani 1 1 d . . . . .
H3 H 0.596799 0.134137 0.584848 0.055 Uiso 1 1 calc R U . . .
C4 C 0.7418(5) 0.0525(3) 0.5795(4) 0.0486(14) Uani 1 1 d . . . . .
H4 H 0.706515 0.016912 0.621846 0.058 Uiso 1 1 calc R U . . .
C5 C 0.8588(5) 0.0350(3) 0.5390(4) 0.0488(14) Uani 1 1 d . . . . .
H5 H 0.903836 -0.012686 0.553895 0.059 Uiso 1 1 calc R U . . .
C6 C 0.9106(5) 0.0866(3) 0.4769(4) 0.0382(12) Uani 1 1 d . . . . .
C7 C 0.6590(6) 0.2508(4) 0.4731(4) 0.0421(15) Uani 1 1 d . . . . .
H7A H 0.663696 0.289249 0.522482 0.051 Uiso 1 1 calc R U . . .
H7B H 0.566748 0.239500 0.460482 0.051 Uiso 1 1 calc R U . . .
C8 C 1.0379(5) 0.0658(3) 0.4312(4) 0.0452(13) Uani 1 1 d . . . . .
H8A H 1.023038 0.028401 0.381791 0.054 Uiso 1 1 calc R U . . .
H8B H 1.099667 0.041019 0.472803 0.054 Uiso 1 1 calc R U . . .
C9 C 0.6331(7) 0.2623(5) 0.2839(5) 0.059(2) Uani 1 1 d . . . . .
H9 H 0.543457 0.281979 0.296205 0.071 Uiso 1 1 calc R U . . .
C10 C 0.6294(7) 0.1716(5) 0.2763(5) 0.078(2) Uani 1 1 d . . . . .
H10A H 0.572956 0.156315 0.227403 0.116 Uiso 1 1 calc R U . . .
H10B H 0.595824 0.148678 0.330879 0.116 Uiso 1 1 calc R U . . .
H10C H 0.717065 0.151378 0.265587 0.116 Uiso 1 1 calc R U . . .
C11 C 0.6795(7) 0.2995(6) 0.1976(4) 0.080(2) Uani 1 1 d . . . . .
H11A H 0.767045 0.280340 0.184374 0.120 Uiso 1 1 calc R U . . .
H11B H 0.680340 0.357939 0.203001 0.120 Uiso 1 1 calc R U . . .
H11C H 0.620695 0.283821 0.150110 0.120 Uiso 1 1 calc R U . . .
C12 C 0.7231(5) 0.4009(3) 0.3886(5) 0.0597(18) Uani 1 1 d . . . . .
H12 H 0.754327 0.426127 0.333012 0.072 Uiso 1 1 calc R U . . .
C13 C 0.5821(7) 0.4292(5) 0.4035(7) 0.096(3) Uani 1 1 d . . . . .
H13A H 0.550035 0.407661 0.459256 0.143 Uiso 1 1 calc R U . . .
H13B H 0.527325 0.409970 0.355457 0.143 Uiso 1 1 calc R U . . .
H13C H 0.579617 0.487849 0.405354 0.143 Uiso 1 1 calc R U . . .
C14 C 0.8107(7) 0.4298(4) 0.4621(6) 0.084(3) Uani 1 1 d . . . . .
H14A H 0.807458 0.488411 0.465285 0.126 Uiso 1 1 calc R U . . .
H14B H 0.899830 0.412652 0.450460 0.126 Uiso 1 1 calc R U . . .
H14C H 0.781448 0.407047 0.517903 0.126 Uiso 1 1 calc R U . . .
C15 C 1.2121(5) 0.1972(4) 0.4763(4) 0.0417(13) Uani 1 1 d . . . . .
H15 H 1.281249 0.155892 0.484082 0.050 Uiso 1 1 calc R U . . .
C16 C 1.1407(6) 0.2074(4) 0.5645(4) 0.0562(16) Uani 1 1 d . . . . .
H16A H 1.202432 0.224409 0.609641 0.084 Uiso 1 1 calc R U . . .
H16B H 1.101580 0.156271 0.581664 0.084 Uiso 1 1 calc R U . . .
H16C H 1.072821 0.248001 0.558250 0.084 Uiso 1 1 calc R U . . .
C17 C 1.2750(6) 0.2742(4) 0.4479(4) 0.0581(17) Uani 1 1 d . . . . .
H17A H 1.208011 0.313357 0.432621 0.087 Uiso 1 1 calc R U . . .
H17B H 1.330006 0.264180 0.396736 0.087 Uiso 1 1 calc R U . . .
H17C H 1.328016 0.295298 0.496005 0.087 Uiso 1 1 calc R U . . .
C18 C 1.1972(5) 0.1394(3) 0.2957(4) 0.0383(12) Uani 1 1 d . . . . .
H18 H 1.242888 0.189993 0.279166 0.046 Uiso 1 1 calc R U . . .
C19 C 1.1088(6) 0.1163(4) 0.2182(4) 0.0548(16) Uani 1 1 d . . . . .
H19A H 1.160794 0.111609 0.164659 0.082 Uiso 1 1 calc R U . . .
H19B H 1.042585 0.157690 0.210034 0.082 Uiso 1 1 calc R U . . .
H19C H 1.066768 0.064884 0.230556 0.082 Uiso 1 1 calc R U . . .
C20 C 1.3007(5) 0.0756(4) 0.3113(5) 0.0552(16) Uani 1 1 d . . . . .
H20A H 1.259295 0.025721 0.330300 0.083 Uiso 1 1 calc R U . . .
H20B H 1.360662 0.094060 0.356796 0.083 Uiso 1 1 calc R U . . .
H20C H 1.348470 0.066111 0.256734 0.083 Uiso 1 1 calc R U . . .
C21 C 1.0098(7) 0.3670(5) 0.2634(6) 0.082(2) Uani 1 1 d . U . . .
H21A H 1.009234 0.405500 0.312773 0.099 Uiso 1 1 calc R U . . .
H21B H 0.923243 0.369205 0.235640 0.099 Uiso 1 1 calc R U . . .
C22 C 1.1087(7) 0.3960(6) 0.1964(6) 0.0873(19) Uani 1 1 d . U . . .
H22A H 1.102481 0.361344 0.143919 0.105 Uiso 1 1 calc R U . . .
H22B H 1.084484 0.450915 0.178273 0.105 Uiso 1 1 calc R U . . .
C23 C 1.2426(8) 0.3972(6) 0.2250(7) 0.091(2) Uani 1 1 d . U . . .
H23A H 1.267691 0.341551 0.239817 0.109 Uiso 1 1 calc R U . . .
H23B H 1.247111 0.428777 0.279842 0.109 Uiso 1 1 calc R U . . .
C24 C 1.3413(6) 0.4297(4) 0.1634(6) 0.084(2) Uani 1 1 d . . . . .
H24A H 1.342753 0.397117 0.109880 0.126 Uiso 1 1 calc R U . . .
H24B H 1.426772 0.428122 0.191275 0.126 Uiso 1 1 calc R U . . .
H24C H 1.319463 0.485112 0.148398 0.126 Uiso 1 1 calc R U . . .

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 0.0240(3) 0.0346(3) 0.0345(3) 0.0073(4) 0.0002(3) -0.0015(2)
P1 0.0255(5) 0.0366(6) 0.0345(8) 0.0017(5) -0.0019(5) -0.0003(4)
P2 0.0288(5) 0.0457(6) 0.0355(7) 0.0093(8) 0.0036(7) 0.0063(4)
O1 0.052(2) 0.067(3) 0.080(4) 0.038(3) 0.010(2) -0.006(2)
C1 0.030(2) 0.039(3) 0.031(3) 0.002(2) -0.004(2) -0.009(2)
C2 0.039(3) 0.044(3) 0.031(3) 0.002(2) -0.001(2) -0.007(2)
C3 0.042(3) 0.060(4) 0.037(3) 0.002(3) 0.006(2) -0.014(3)
C4 0.056(3) 0.053(3) 0.037(3) 0.011(3) 0.003(3) -0.017(3)
C5 0.058(3) 0.039(3) 0.050(4) 0.011(3) -0.001(3) -0.006(3)
C6 0.038(3) 0.038(3) 0.038(3) 0.009(2) -0.002(2) -0.005(2)
C7 0.030(3) 0.056(4) 0.041(4) 0.006(3) 0.007(3) 0.001(2)
C8 0.043(3) 0.040(3) 0.053(4) 0.009(3) 0.000(3) 0.002(2)
C9 0.034(3) 0.099(6) 0.044(4) 0.012(4) -0.007(3) 0.002(3)
C10 0.068(5) 0.104(6) 0.061(5) -0.009(4) -0.023(4) -0.028(4)
C11 0.063(4) 0.140(7) 0.036(4) 0.023(4) -0.004(3) 0.008(4)
C12 0.063(3) 0.049(3) 0.067(5) 0.014(3) 0.032(4) 0.018(3)
C13 0.086(5) 0.078(5) 0.122(9) 0.030(5) 0.041(5) 0.049(4)
C14 0.095(6) 0.050(4) 0.106(7) -0.020(4) 0.028(5) -0.006(4)
C15 0.030(3) 0.057(3) 0.039(3) -0.005(3) -0.005(2) 0.004(2)
C16 0.051(3) 0.083(5) 0.034(4) -0.007(3) -0.003(3) -0.006(3)
C17 0.042(3) 0.085(5) 0.047(4) -0.013(3) -0.005(3) -0.023(3)
C18 0.034(2) 0.044(3) 0.037(3) -0.003(2) -0.003(2) -0.003(2)
C19 0.056(3) 0.067(4) 0.041(4) -0.019(3) -0.005(3) 0.000(3)
C20 0.038(3) 0.068(4) 0.059(4) -0.014(3) 0.003(3) 0.011(3)
C21 0.072(3) 0.085(4) 0.090(4) 0.019(3) 0.021(3) -0.001(3)
C22 0.075(3) 0.093(4) 0.094(4) 0.024(3) 0.019(3) 0.002(3)
C23 0.082(3) 0.099(4) 0.090(4) 0.008(4) 0.012(3) -0.009(4)
C24 0.064(4) 0.072(5) 0.116(7) 0.003(5) 0.005(4) -0.015(4)