data_2010319 _journal_name_full 'Acta Crystallographica' _journal_year 1994 _journal_volume C50 _journal_page_first 1866 _journal_page_last 1868 _publ_section_title ; Trans-[Mo~2~(CO)~8~(\m-dppp~e~)~2~] [dppp~e~= Ph~2~P(CH~2~)~5~PPh~2~] ; loop_ _publ_author_name 'Ueng, C.-H.' 'Hwang, J.-L.' _chemical_formula_sum 'C66 H60 Mo2 O8 P4' _chemical_formula_weight 1296.96 _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M 'P -1' _symmetry_space_group_name_Hall '-P 1' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-x,-y,-z' _cell_length_a 9.4528(14) _cell_length_b 11.4874(18) _cell_length_c 15.494(2) _cell_angle_alpha 72.056(13) _cell_angle_beta 87.550(12) _cell_angle_gamma 74.118(12) _cell_volume 1538.0(4) _cell_formula_units_Z 1 _cell_measurement_temperature 298 _exptl_crystal_density_diffrn 1.400 _refine_ls_R_factor_obs 0.041 _refine_ls_wR_factor_obs 0.044 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Mo .16339(8) .13723(7) .29357(5) P1 .3654(2) -.0444(2) .27840(10) P2 -.0457(2) .3191(2) .30290(10) O1 .0509(7) .1832(6) .0921(4) O2 -.0296(6) -.0496(5) .3861(5) O3 .3712(7) .3184(6) .2187(5) O4 .2911(7) .0805(7) .4917(4) C1 .0896(9) .1671(8) .1656(6) C2 .0407(8) .0181(8) .3501(6) C3 .2942(9) .2543(8) .2441(6) C4 .2436(9) .1018(8) .4202(6) C5 .4633(8) -.1533(7) .3851(5) C6 .3634(8) -.2226(7) .4478(5) C7 .4279(8) -.2942(8) .5424(6) C8 -.3243(8) .3624(7) .3959(5) C9 -.1838(8) .2647(7) .3807(5) C1A .5113(8) .0031(8) .2058(6) C2A .6449(9) -.0016(8) .2417(6) C3A .7480(10) .0420(10) .1830(8) C4A .7180(10) .0890(10) .0913(7) C5A .5850(10) .0970(10) .0564(6) C6A .4820(10) .0549(9) .1150(6) C1B .3265(9) -.1578(7) .2277(5) C2B .1860(10) -.1513(9) .2035(6) C3B .1590(10) -.2400(10) .1666(7) C4B .266(2) -.3360(10) .1539(8) C5B .407(2) -.3440(10) .1788(8) C6B .4390(10) -.2569(9) .2154(7) C1C -.0100(9) .4470(7) .3379(5) C2C .1202(9) .4304(8) .3814(6) C3C .1460(10) .5250(9) .4106(7) C4C .0430(10) .6362(9) .3985(7) C5C -.0900(10) .6574(8) .3547(7) C6C -.1181(9) .5627(8) .3244(7) C1D -.1495(8) .4054(7) .1944(5) C2D -.2585(9) .3641(8) .1674(6) C3D -.3240(10) .4230(10) .0800(8) C4D -.2820(10) .5210(10) .0209(7) C5D -.1720(10) .5610(10) .0480(8) C6D -.1070(10) .5043(9) .1343(6) H5 .504 -.099 .419 H5' .555 -.223 .370 H6 .341 -.290 .419 H6' .262 -.153 .452 H7 .530 -.361 .537 H7' .451 -.224 .570 H8 -.289 .424 .426 H8' -.376 .419 .330 H9 -.128 .215 .446 H9' -.220 .200 .356 H2A .669 -.039 .314 H3A .853 .041 .210 H4A .800 .118 .046 H5A .559 .138 -.016 H6A .376 .061 .088 H2B .095 -.076 .213 H3B .047 -.232 .148 H4B .241 -.404 .126 H5B .497 -.420 .168 H6B .551 -.266 .234 H2C .205 .342 .392 H3C .251 .509 .444 H4C .063 .708 .424 H5C -.172 .748 .343 H6C -.222 .580 .290 H2D -.294 .287 .214 H3D -.407 .387 .059 H4D -.335 .567 -.046 H5D -.135 .638 .002 H6D -.022 .539 .155 loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Mo P1 . . 2.478(2) yes Mo P2 . . 2.488(2) yes Mo C1 . . 2.026(9) yes Mo C2 . . 2.007(9) yes Mo C3 . . 2.030(9) yes Mo C4 . . 2.010(10) yes P1 C5 . . 1.837(8) yes P1 C1A . . 1.835(8) yes P1 C1B . . 1.834(8) yes P2 C9 . . 1.842(8) yes P2 C1C . . 1.829(8) yes P2 C1D . . 1.831(8) yes O1 C1 . . 1.160(10) yes O2 C2 . . 1.160(10) yes O3 C3 . . 1.150(10) yes O4 C4 . . 1.140(10) yes C5 C6 . . 1.530(10) yes C6 C7 . . 1.500(10) yes C7 C8' . . 1.540(10) yes C8 C7' . . 1.540(10) no C8 C9 . . 1.550(10) yes