data_2000387
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  2220
_journal_page_last  2222
loop_
_publ_author_name
 'Linn, K.'
 'Masi, D.'
 'Mealli, C.'
 'Bianchini, C.'
 'Peruzzini, M.'
_chemical_formula_moiety  'C47 H47 Fe1 O2 P4,C24 H20 B1'
_chemical_formula_sum  'C71 H67 B1 Fe1 O2 P4'
_chemical_formula_weight  1142.9
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/a'
_symmetry_space_group_name_Hall  ?
_cell_length_a  26.296(3)
_cell_length_b  12.304(4)
_cell_length_c  19.061(2)
_cell_angle_alpha  90.
_cell_angle_beta  103.63(2)
_cell_angle_gamma  90.
_cell_volume  5993(2)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  ?
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  2404
_exptl_absorpt_coefficient_mu  3.39
_diffrn_radiation_type  Cu
_diffrn_radiation_wavelength  1.5418
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 Fe(1) .13020(10)
       .30170(10)
       .27200(10)
          .0380(10)
 P(1) .19930(10)
      .2952(3) .2206(2) .045(2)
 P(2) .05360(10)
      .3601(2) .2976(2) .045(2)
 P(3) .11760(10)
      .1233(2) .2765(2) .044(2)
 P(4) .08210(10)
      .2914(3) .1641(2) .049(2)
 O(1) .1784(3) .3474(6) .3706(4) .048(4)
 O(2) .1438(3) .4654(6) .2883(4) .044(4)
 C(1) .1759(4) .2625(10) .1245(6) .057(3)
 C(2) .1204(4) .3053(11) .0959(6) .064(3)
 C(3) .0262(5) .4464(10) .2208(6) .065(3)
 C(4) .0318(4) .3981(10) .1484(6) .061(3)
 C(5) .0552(4) .0887(10) .2141(6) .057(3)
 C(6) .0475(5) .1600(10) .1452(7) .063(3)
 C(7) .1723(4) .4458(10) .3505(7) .051(7)
 C(8) .1983(4) .5357(9) .4006(7) .057(7)
 C(9) .1869(6) .6472(11) .3736(8) .082(9)
 C(10) .2143(7) .7243(13) .4267(9) .103(10)
 C(11) .2366(9) .7795(15) .4686(11) .139(15)
 C(1'1) .2551(3) .2070(6) .2548(3) .047(3)
 C(2'1) .2735(3) .1983(6) .3295(3) .054(3)
 C(3'1) .3202(3) .1434(6) .3583(3) .062(3)
 C(4'1) .3485(3) .0973(6) .3124(3) .071(4)
 C(5'1) .3301(3) .1061(6) .2378(3) .069(4)
 C(6'1) .2835(3) .1609(6) .2090(3) .061(3)
 C(1'2) .2333(3) .4257(7) .2226(4) .051(3)
 C(2'2) .2174(3) .4989(7) .1657(4) .076(4)
 C(3'2) .2427(3) .5987(7) .1670(4) .095(5)
 C(4'2) .2839(3) .6255(7) .2251(4) .075(4)
 C(5'2) .2999(3) .5523(7) .2820(4) .072(4)
 C(6'2) .2745(3) .4525(7) .2807(4) .069(4)
 C(1'3) .0582(3) .4495(7) .3766(3) .051(3)
 C(2'3) .0307(3) .5473(7) .3703(3) .068(4)
 C(3'3) .0326(3) .6114(7) .4312(3) .083(4)
 C(4'3) .0620(3) .5778(7) .4984(3) .080(4)
 C(5'3) .0896(3) .4800(7) .5047(3) .070(4)
 C(6'3) .0876(3) .4158(7) .4438(3) .060(3)
 C(1'4) -.0004(3) .2720(7) .3077(4) .058(3)
 C(2'4) -.0441(3) .2541(7) .2512(4) .076(4)
 C(3'4) -.0834(3) .1834(7) .2605(3) .086(4)
 C(4'4) -.0790(3) .1304(7) .3264(4) .094(5)
 C(5'4) -.0354(3) .1482(7) .3829(4) .093(5)
 C(6'4) .0040(3) .2190(7) .3736(4) .071(4)
 C(1'5) .1142(3) .0675(7) .3630(4) .052(3)
 C(2'5) .0875(3) -.0291(7) .3683(4) .089(4)
 C(3'5) .0896(3) -.0749(7) .4359(4) .118(6)
 C(4'5) .1182(3) -.0240(7) .4981(4) .107(5)
 C(5'5) .1448(3) .0726(7) .4928(4) .084(4)
 C(6'5) .1428(3) .1183(7) .4253(4) .060(3)
 C(1'6) .1619(3) .0242(7) .2495(3) .052(3)
 C(2'6) .2034(3) -.021(7) .3011(3) .063(3)
 C(3'6) .2397(3) -.0872(7) .2797(3) .081(4)
 C(4'6) .2346(3) -.1100(7) .2066(3) .086(4)
 C(5'6) .1932(3) -.0657(7) .1550(3) .082(4)
 C(6'6) .1568(3) .0014(7) .1765(3) .061(3)
 H11 .1760(4) .1858(10) .1185(6) ?
 H12 .1985(4) .2949(10) .0983(6) ?
 H21 .1220(4) .3799(11) .0836(6) ?
 H22 .1040(4) .2652(11) .0541(6) ?
 H31 .0437(5) .5145(10) .2277(6) ?
 H32 -.0099(5) .4569(10) .2187(6) ?
 H41 -.0007(4) .3678(10) .1237(6) ?
 H42 .0416(4) .4540(10) .1198(6) ?
 H51 .0273(4) .1016(10) .2369(6) ?
 H52 .0555(4) .0142(10) .2012(6) ?
 H61 .0607(5) .1219(10) .1099(7) ?
 H62 .0112(5) .1734(10) .1272(7) ?
 H81 .2351(4) .5254(9) .4099(7) ?
 H82 .1872(4) .5293(9) .4444(7) ?
 H91 .1503(6) .6600(11) .3647(8) ?
 H92 .1980(6) .6559(11) .3300(8) ?
 H111 .2532(9) .8361(15) .4996(11) ?
 H2'1 .2542(3) .2297(6) .3607(3) ?
 H3'1 .3327(3) .1375(6) .4091(3) ?
 H4'1 .3803(3) .0600(6) .3321(3) ?
 H5'1 .3494(3) .0747(6) .2066(3) ?
 H6'1 .2710(3) .1669(6) .1581(3) ?
 H2'2 .1893(3) .4807(7) .1262(4) ?
 H3'2 .2318(3) .6485(7) .1283(4) ?
 H4'2 .3012(3) .6935(7) .2260(4) ?
 H5'2 .3280(3) .5705(7) .3216(4) ?
 H6'2 .2854(3) .4027(7) .3194(4) ?
 H2'3 .0106(3) .5702(7) .3245(3) ?
 H3'3 .0138(3) .6780(7) .4269(3) ?
 H4'3 .0633(3) .6214(7) .5399(3) ?
 H5'3 .1096(3) .4570(7) .5505(3) ?
 H6'3 .1064(3) .3492(7) .4481(3) ?
 H2'4 -.0470(3) .2902(7) .2063(4) ?
 H3'4 -.1131(3) .1712(7) .2220(4) ?
 H4'4 -.1058(3) .0822(7) .3327(4) ?
 H5'4 -.0324(3) .1122(7) .4277(4) ?
 H6'4 .0337(3) .2312(7) .4121(4) ?
 H2'5 .0681(3) -.0638(7) .3259(4) ?
 H3'5 .0715(3) -.1407(7) .4395(4) ?
 H4'5 .1196(3) -.0552(7) .5441(4) ?
 H5'5 .1643(3) .1072(7) .5353(4) ?
 H6'5 .1609(3) .1841(7) .4217(4) ?
 H2'6 .2068(3) -.0046(7) .3508(3) ?
 H3'6 .2679(3) -.1173(7) .3148(3) ?
 H4'6 .2594(3) -.1557(7) .1920(3) ?
 H5'6 .1898(3) -.0813(7) .1053(3) ?
 H6'6 .1286(3) .0315(7) .1413(3) ?