data_2005034
_journal_name_full  'Acta Crystallographica'
_journal_year       1996
_journal_volume    'C52'
_journal_page_first     1352
_journal_page_last     1355
_publ_section_title
;
Pentacarbonyl[tris(2-methoxyphenyl)phosphine-P]chromium and its Molybdenum
Analogue
;
_chemical_formula_iupac     '[Mo (C21 H21 O3 P1) (C1 O1)5]'
_chemical_formula_sum     'C26 H21 Mo O8 P'
_chemical_formula_weight     588.34
_symmetry_cell_setting    'monoclinic'
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
_symmetry_space_group_name_H-M     'P 21/n'
_cell_length_a     10.889(2)
_cell_length_b     16.395(2)
_cell_length_c     14.808(2)
_cell_angle_alpha     90
_cell_angle_beta     92.570(10)
_cell_angle_gamma     90
_cell_volume     2640.9(7)
_cell_formula_units_Z     4
_exptl_crystal_density_diffrn     1.480
_cell_measurement_temperature     293(2)
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mo 1  .21639(2)  .612015(14)  .915027(15)  .04504(8)
P 1  .26133(6)  .76401(4)  .95028(4)  .04017(15)
O1 1  .2002(3)  .6514(2)  .7066(2)  .0941(8)
O2 1  .4936(2)  .5629(2)  .8857(2)  .0950(9)
O3 1  .2506(3)  .5740(2) 1.1256(2)  .1013(9)
O4 1  -.0723(2)  .6250(2)  .9364(2)  .0907(8)
O5 1  .1587(3)  .43066(14)  .8642(2)  .0981(9)
O6 1  .2615(3)  .94607(13)  .9620(2)  .0817(7)
O7 1  .0574(2)  .75695(13) 1.06777(13)  .0602(5)
O8 1  .4983(2)  .70371(13) 1.01961(14)  .0605(5)
C1 1  .2035(3)  .6381(2)  .7820(2)  .0589(7)
C2 1  .3961(3)  .5841(2)  .8977(2)  .0624(8)
C3 1  .2382(3)  .5871(2) 1.0508(2)  .0614(8)
C4 1  .0319(3)  .6247(2)  .9294(2)  .0591(8)
C5 1  .1798(3)  .4967(2)  .8842(2)  .0640(8)
C6 1  .1563(2)  .8371(2)  .8932(2)  .0476(6)
C7 1  .0611(3)  .8096(2)  .8351(2)  .0545(7)
C8 1  -.0229(3)  .8618(3)  .7928(2)  .0712(9)
C9 1  -.0139(4)  .9434(3)  .8110(3)  .0850(12)
C10 1  .0775(5)  .9728(2)  .8680(3)  .0874(13)
C11 1  .1641(3)  .9208(2)  .9084(2)  .0639(8)
C12 1  .2654(8) 1.0282(3)  .9925(5)  .115(2)
C13 1  .2615(2)  .8006(2) 1.0677(2)  .0426(6)
C14 1  .3614(3)  .8387(2) 1.1109(2)  .0537(7)
C15 1  .3518(3)  .8711(2) 1.1975(2)  .0629(8)
C16 1  .2445(3)  .8661(2) 1.2399(2)  .0680(9)
C17 1  .1446(3)  .8282(2) 1.1990(2)  .0604(8)
C18 1  .1523(3)  .7953(2) 1.1132(2)  .0477(6)
C19 1  -.0619(3)  .7648(3) 1.1005(4)  .0795(11)
C20 1  .4123(2)  .7930(2)  .9116(2)  .0470(6)
C21 1  .4253(3)  .8458(2)  .8400(2)  .0615(8)
C22 1  .5404(4)  .8642(3)  .8085(3)  .0809(11)
C23 1  .6407(4)  .8292(3)  .8478(3)  .0891(15)
C24 1  .6329(3)  .7747(3)  .9192(3)  .0734(10)
C25 1  .5179(3)  .7565(2)  .9515(2)  .0542(7)
C26 1  .6015(4)  .6647(3) 1.0632(3)  .0822(12)
H6 1  -.092(3)    .8413(19)  .7470(18)  .064(9)
H7 1  .058(3)    .749(2)    .825(2)    .074(10)
H9 1  -.073(4)    .982(3)    .781(3)    .121(15)
H10 1  .087(3)   1.024(2)    .877(2)    .077(11)
H12A 1  .350(4)   1.026(3)   1.027(3)    .107(15)
H12B 1  .306(5)   1.047(3)    .944(3)    .12(2)
H12C 1  .191(6)   1.047(4)   1.025(4)    .19(3)
H14 1  .428(2)    .8493(16) 1.0803(16)  .040(7)
H15 1  .413(3)    .8971(18) 1.2209(19)  .054(8)
H16 1  .240(3)    .8846(18) 1.302(2)    .067(9)
H17 1  .077(3)    .8225(18) 1.2251(18)  .051(8)
H19A 1 -0.112(4)    .741(2)   1.054(3)    .091(13)
H19B 1  -.078(4)    .824(3)   1.082(3)    .122(16)
H19C 1  -.061(6)    .755(4)   1.159(4)    .19(3)
H21 1  .357(3)    .8719(17)  .8130(18)  .049(8)
H22 1  .550(4)    .898(2)    .763(3)    .095(14)
H23 1  .709(3)    .838(2)    .832(2)    .074(11)
H24 1  .702(3)    .751(2)    .949(2)    .075(10)
H26A 1  .652(4)    .635(3)   1.023(3)    .100(14)
H26B 1  .571(4)    .631(3)   1.109(3)    .093(14)
H26C 1  .651(4)    .706(3)   1.098(3)    .124(16)