data_2003211 _journal_name_full 'Acta Crystallographica' _journal_volume C51 _journal_year 1995 _journal_page_first 197 _journal_page_last 198 _publ_section_title ; Tetraphenylphosphonium cis-Tetrabromobis(pyridine)molybdate(III) ; loop_ _publ_author_name 'Jurij V. Brencic' 'Barbara Modec' 'Zhengui Yao' _chemical_formula_moiety 'C34 H30 Br4 Mo1 N2 P1' _chemical_formula_sum 'C34 H30 Br4 Mo1 N2 P1' _chemical_formula_weight 913.18 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 1 21/c 1' _cell_length_a 9.439(1) _cell_length_b 21.600(3) _cell_length_c 16.678(3) _cell_angle_alpha 90. _cell_angle_beta 94.71(1) _cell_angle_gamma 90. _cell_volume 3388.8(9) _cell_formula_units_Z 4 _exptl_crystal_density_diffrn 1.79 _exptl_crystal_density_meas 1.78(2) _diffrn_radiation_type 'MoK\a' _diffrn_radiation_wavelength 0.71069 _cell_measurement_reflns_used 25 _cell_measurement_theta_min 14 _cell_measurement_theta_max 16 _exptl_absorpt_coefficient_mu 5.123 _cell_measurement_temperature 293(1) _exptl_crystal_description 'needle' _exptl_crystal_size_max 0.48 _exptl_crystal_size_mid 0.22 _exptl_crystal_size_min 0.18 _exptl_crystal_size_rad ? _exptl_crystal_colour 'red' loop_ _publ_author_name 'Xiao-Hui Shi' 'Xiao-Zeng You' 'Cun Li' 'Bao-Lin Song' 'Ting-Hao Li' 'Xiao-Ying Huang' _chemical_formula_sum 'C50 H44 B1 Co1 N4 O2' _chemical_formula_weight 802.67 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 1 21/c 1' _cell_length_a 16.74(1) _cell_length_b 13.570(4) _cell_length_c 19.65(2) _cell_angle_alpha 90 _cell_angle_beta 113.22(9) _cell_angle_gamma 90 _cell_volume 4102(5) _cell_formula_units_Z 4 _exptl_crystal_density_diffrn 1.30 _exptl_crystal_density_meas ? _diffrn_radiation_type 'MoK\a' _diffrn_radiation_wavelength 0.71069 _cell_measurement_reflns_used 25 _cell_measurement_theta_min 13.99 _cell_measurement_theta_max 14.74 _exptl_absorpt_coefficient_mu 0.460 _cell_measurement_temperature 296 _exptl_crystal_description 'Prism' _exptl_crystal_size_max 0.45 _exptl_crystal_size_mid 0.27 _exptl_crystal_size_min 0.22 _exptl_crystal_size_rad ? _exptl_crystal_colour 'Dark brown' loop_ _publ_author_name 'Marcus Geselle' 'Hartmut Fuess' _chemical_formula_moiety 'C12 H42 Cl14 N6 Pb1' _chemical_formula_sum 'C12 H42 Cl14 N6 Pb1' _chemical_formula_structural ; (Cl C2 H4 N H3 1+)6 (Pb Cl6 4-) (Cl 1-)2 ; _chemical_formula_analytical ? _chemical_formula_weight 974.05 loop_ _symmetry_equiv_pos_as_xyz +x,+y,+z -x,-y,-z _symmetry_space_group_name_H-M 'P -1' _cell_length_a 8.175(1) _cell_length_b 10.150(2) _cell_length_c 11.254(1) _cell_angle_alpha 83.28(1) _cell_angle_beta 81.07(1) _cell_angle_gamma 74.30(1) _cell_volume 885.3(2) _cell_formula_units_Z 1 _exptl_crystal_density_diffrn 1.827 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71069 _cell_measurement_reflns_used 25 _cell_measurement_theta_min 2.89 _cell_measurement_theta_max 16.68 _exptl_absorpt_coefficient_mu 5.88 _cell_measurement_temperature 298 _exptl_crystal_description prism _exptl_crystal_size_max 0.175 _exptl_crystal_size_mid 0.175 _exptl_crystal_size_min 0.100 _exptl_crystal_colour colourless ; CAD4 Diffractometer Control Software (Enraf-Nonius, 1991) ; loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Pb .50000 1.0 .50000 .0354(2) Cl1 .6525(2) 1.2215(1) .4190(1) .0486(9) Cl2 .5536(2) .9145(1) .2567(1) .0513(9) Cl3 .8307(2) .8287(1) .5547(1) .0521(9) Cl4 .3372(2) .5454(1) .3147(1) .060(1) Cl5 .7122(2) .3087(2) .0313(2) .078(1) Cl6 1.1372(3) 1.0715(2) .0972(2) .085(2) Cl7 .8964(3) .5916(2) .1451(2) .086(2) N1 .4136(6) .2482(5) .2104(4) .051(3) H1 .492(5) .293(3) .245(2) .10(2) H2 .474(6) .147(2) .199(1) .10(2) H3 .302(1) .255(5) .268(2) .10(2) C1 .3729(7) .3200(6) .0926(5) .065(5) H4 .348(1) .432(1) .0980(8) .14(3) H5 .258(1) .297(1) .0699(7) .14(3) C2 .5221(9) .2731(7) -.0050(5) .081(7) H6 .545(1) .162(1) -.011(1) .27(6) H7 .491(1) .328(1) -.0919(9) .27(6) N2 1.1654(6) .8625(5) .3326(5) .058(4) H8 1.255(6) .914(8) .292(4) .18(3) H9 1.225(8) .760(1) .349(7) .18(3) H10 1.108(2) .903(8) .413(3) .18(3) C3 1.0331(7) .8772(6) .2508(5) .063(5) H11 1.089(1) .815(1) .174(1) .10(2) H12 .924(1) .842(1) .301(1) .10(2) C4 .9727(6) 1.0228(7) .2057(6) .083(6) H13 .857(1) 1.036(1) .163(1) .10(2) H14 .943(1) 1.088(1) .282(1) .10(2) N3 .6704(7) .5943(6) .4004(4) .063(4) H15 .595(2) .556(5) .355(5) .14(2) H16 .665(2) .694(2) .369(6) .14(2) H17 .627(3) .590(6) .491(1) .14(2) C5 .8477(7) .5114(6) .3810(5) .061(5) H18 .935(1) .575(1) .3876(9) .10(2) H19 .867(1) .425(1) .4499(9) .10(2) C6 .8850(9) .4572(5) .2556(7) .083(6) H20 1.007(2) .379(1) .2484(9) .20(4) H21 .782(2) .412(1) .2422(9) .20(4) loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_22 _atom_site_aniso_U_23 _atom_site_aniso_U_33 Pb .0334(1) -.00830(9) -.00764(9) .0361(1) .00068(9) .0364(2) Cl1 .0479(7) -.0186(5) -.0098(5) .0531(7) .0012(5) .0480(6) Cl2 .0463(7) -.0092(5) -.0065(5) .0503(7) -.0047(5) .0555(7) Cl3 .0386(6) -.0025(5) -.0030(5) .0573(7) .0046(5) .0513(7) Cl4 .079(1) -.0074(6) -.0156(7) .0475(7) -.0063(6) .0525(7) Cl5 .0627(9) -.0246(9) -.0020(7) .102(1) .0079(9) .0652(9) Cl6 .081(1) -.043(1) -.029(1) .093(1) .034(1) .089(1) Cl7 .091(1) -.038(1) -.0029(8) .115(1) .0000(9) .0550(9) N1 .054(3) -.016(2) -.007(2) .060(3) .004(2) .040(2) C1 .063(4) -.026(3) -.017(3) .085(4) .012(3) .050(3) C2 .080(5) -.028(4) -.006(3) .119(6) -.005(3) .046(3) N2 .050(3) -.011(2) -.017(2) .061(3) .006(2) .061(3) C3 .053(3) -.028(3) -.011(3) .084(4) .008(3) .056(3) C4 .051(4) -.007(3) -.017(3) .102(5) .019(4) .085(5) N3 .054(3) -.009(2) .001(2) .073(3) -.010(2) .055(3) C5 .054(3) -.011(3) -.017(3) .073(4) .005(3) .055(3) C6 .088(5) -.004(4) .011(4) .063(4) -.006(3) .083(5)