data_2005291 _journal_name_full 'Acta Crystallographica' _journal_year 1996 _journal_volume C52 _journal_page_first 1891 _journal_page_last 1894 _publ_section_title ; Chloro[(\a-dimethylamino[3]ferrocenophan-2-yl)diphenylphosphino]gold(I) Benzene Solvate ; _chemical_formula_iupac '[Au Cl (C27 H28 Fe N P)] , 1.5C6 H6' _chemical_formula_moiety 'C27 H28 Au Cl Fe N P , 1.5C6 H6' _chemical_formula_sum 'C36 H37 Au Cl Fe N P' _chemical_formula_weight 802.94 _symmetry_cell_setting monoclinic loop_ _symmetry_equiv_pos_as_xyz x,y,z x,1/2-y,1/2+z '-x,-y,-z' '-x,1/2+y,1/2-z' _symmetry_space_group_name_H-M 'P 21/c' _cell_length_a 9.285(3) _cell_length_b 18.287(8) _cell_length_c 19.427(6) _cell_angle_alpha 90 _cell_angle_beta 99.55(4) _cell_angle_gamma 90 _cell_volume 3253(4) _cell_formula_units_Z 4 _exptl_crystal_density_diffrn 1.639 _cell_measurement_temperature 296 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_b_iso_or_equiv Au .4959(2) .1685(1) .6432(1) 2.7(1) Fe .7915(8) .3657(4) .6867(3) 2.9(4) Cl .369(1) .0958(8) .7106(6) 4.3(9) P .610(2) .2359(9) .5725(7) 3(1) N .352(4) .346(2) .598(2) 3(1) C1 .765(6) .197(3) .554(3) 3(1) C2 .842(6) .169(3) .604(2) 3(1) C3 .981(6) .142(3) .596(3) 6(2) C4 1.029(6) .133(4) .528(3) 7(2) C5 .92 .159(4) .473(3) 6(2) C6 .795(5) .191(3) .486(2) 3(1) C7 .491(6) .246(3) .490(3) 4(1) C8 .377(6) .198(3) .463(3) 5(2) C9 .295(5) .208(3) .396(3) 5(1) C10 .321(6) .266(3) .354(2) 4(1) C11 .428(6) .304(3) .372(2) 4(1) C12 .511(5) .295(3) .446(3) 5(1) C13 .667(4) .322(3) .599(2) 1(1) C14 .803(5) .359(3) .580(2) 3(1) C15 .812(6) .434(3) .603(2) 4(1) C16 .680(5) .450(3) .632(2) 3(1) C17 .601(5) .386(3) .629(2) 1(1) C18 .450(6) .382(3) .656(2) 4(1) C19 .456(5) .341(3) .727(2) 4(1) C20 .572(5) .373(3) .785(2) 2(1) C21 .718(6) .359(3) .786(2) 3(1) C22 .829(5) .412(3) .786(2) 2(1) C23 .961(5) .378(3) .763(3) 3(1) C24 .933(5) .299(3) .752(2) 3(1) C25 .786(5) .288(3) .763(2) 2(1) C26 .22(1) .319(5) .621(4) 15(2) C27 .312(6) .404(3) .539(3) 7(2) C28 1.023(7) .093(4) .795(3) 9(2) C29 1.015(7) .120(4) .863(3) 8(2) C30 .886(8) .114(4) .892(3) 7(2) C31 .760(7) .081(4) .851(3) 8(2) C32 .776(8) .063(4) .785(4) 8(2) C33 .898(8) .058(3) .765(3) 5(2) C34 .567(8) .000(4) .576(3) 7(2) C35 .646(6) .009(3) .524(3) 6(2) C36 .578(8) .007(4) .454(4) 8(2) H2 .8061 .1646 .6472 4.2 H3 1.0455 .1304 .6377 7 H4 1.121 .112 .5236 8.5 H5 .9383 .1535 .427 7 H6 .7275 .2088 .4472 3.9 H8 .3572 .1581 .4914 6.6 H9 .2203 .1735 .3797 5.7 H10 .2558 .275 .3119 4.2 H11 .4577 .3381 .3409 4.8 H12 .5864 .3301 .4606 5.7 H14 .8733 .3349 .5571 3.6 H15 .8885 .4678 .5991 4.5 H16 .6532 .4957 .6494 3.5 H18 .4164 .4312 .6613 4.9 H19A .3629 .3436 .7404 4.2 H19B .4794 .291 .7194 4.2 H20A .5603 .4247 .7828 2.5 H20B .5488 .3556 .8279 2.5 H22 .8219 .4614 .7984 2.7 H23 1.0462 .4041 .7568 4.1 H24 1.0002 .2637 .7396 2.9 H25 .7361 .2422 .7575 3 H26A .1688 .3593 .635 17.5 H26B .1645 .2935 .5844 17.5 H26C .2499 .2874 .6599 17.5 H27A .3992 .4214 .5252 8.5 H27B .2516 .3821 .5005 8.5 H27C .2619 .4435 .5563 8.5 H28 1.1042 .0959 .7712 10.2 H29 1.1006 .1436 .8867 9.3 H30 .8885 .1312 .9381 8.4 H31 .6739 .0743 .871 9.7 H32 .6869 .053 .7552 9.9 H33 .8959 .0285 .7243 6.3 H34 .6064 -0.0017 .6249 8.6 H35 .7479 .0174 .5341 7.2 H36 .6427 .0115 .4207 9.4