data_2010355 _journal_name_full 'Acta Crystallographica' _journal_year 1995 _journal_volume C51 _journal_page_first 32 _journal_page_last 34 _publ_section_title ; Disodium \m-(ethylenediaminetetraacetato)-di-\m -oxo-bis[oxomolybdate (V)](Mo-Mo) Tetrahydrate ; loop_ _publ_author_name 'Mukherjee, K.' 'Roychowdhury, P.' 'Roy, K.' 'Mukherjee, D.' 'Kusunoki, M.' _chemical_formula_sum 'C10 H20 Mo2 N2 Na2 O16' _chemical_formula_weight 662.13 _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P a' _symmetry_space_group_name_Hall 'P -2ya' _cell_length_a 7.540(3) _cell_length_b 16.761(6) _cell_length_c 8.650(3) _cell_angle_alpha 90. _cell_angle_beta 99.56(2) _cell_angle_gamma 90. _cell_volume 1078.0(7) _cell_formula_units_Z 2 _cell_measurement_temperature 293 _exptl_crystal_density_diffrn 2.0399 _exptl_crystal_density_meas 2.01 _refine_ls_R_factor_obs 0.043 _refine_ls_wR_factor_obs 0.051 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Mo(1) -.99280 -.18079(3) -.92590 .02340(10) Mo(2) -.96286(8) -.33120(3) -.96167(7) .01880(10) O(1) -.9047(6) -.2420(2) -1.0857(5) .0260(10) O(2) -.9443(6) -.2667(2) -.7743(5) .0260(10) O(3) -1.2176(7) -.1682(3) -.9755(8) .040(2) O(4) -1.1806(6) -.3575(3) -1.0220(6) .0320(10) O(5) -.9423(6) -.0793(3) -1.0569(7) .0380(10) O(6) -.9722(7) -.1089(3) -.7247(7) .039(2) O(7) -.9195(6) -.4288(2) -.8054(5) .0270(10) O(8) -.8765(6) -.3985(3) -1.1398(5) .0310(10) O(9) -.7735(7) -.0245(3) -1.2091(7) .043(2) O(10) -.8216(8) -.0248(3) -.5544(7) .044(2) O(11) -.6715(8) -.4644(4) -1.2364(6) .044(2) O(12) -.7586(7) -.4846(3) -.5934(6) .0360(10) N(1) -.6792(6) -.1434(3) -.8631(6) .0210(10) N(2) -.6460(6) -.3494(2) -.8789(5) .0190(10) C(1) -.7914(9) -.0680(4) -1.1021(8) .032(2) C(2) -.6323(8) -.1141(3) -1.0136(7) .0260(10) C(3) -.6705(9) -.0758(4) -.7531(8) .030(2) C(4) -.8304(9) -.0694(4) -.6715(8) .031(2) C(5) -.5502(7) -.2050(3) -.7901(7) .0230(10) C(6) -.5220(7) -.2799(3) -.8867(7) .0240(10) C(7) -.6237(8) -.3797(3) -.7157(6) .0230(10) C(8) -.7758(9) -.4366(3) -.6999(7) .0260(10) C(9) -.5885(8) -.4137(3) -.9782(7) .0240(10) C(10) -.7176(8) -.4266(3) -1.1329(7) .0250(10) Na(1) -.4750(4) -.5115(2) -1.4014(3) .0376(9) Na(2) -1.0541(4) -.0066(2) -1.3683(4) .0440(10) O(1W) -.3542(11) -.3696(4) -1.3551(8) .058(2) O(2W) -.5370(2) -.6567(6) -1.49270(10) .094(5) O(3W) -1.10510(10) -.1491(5) -1.4268(2) .097(5) O(4W) -.94600(10) .1317(5) -1.36360(10) .101(5) H(3A) -.5603 -.0820 -.6720 ? H(3B) -.6607 -.0253 -.8127 ? H(2A) -.6301 -.1710 -1.0486 ? H(2B) -.5154 -.0884 -1.0583 ? H(5A) -.5922 -.2235 -.6924 ? H(5B) -.4305 -.1785 -.7612 ? H(6A) -.3964 -.2991 -.8505 ? H(6B) -.5345 -.2633 -.9990 ? H(7A) -.6253 -.3340 -.6417 ? H(7B) -.5060 -.4082 -.6895 ? H(9A) -.4706 -.4114 -1.0165 ? H(9B) -.5792 -.4647 -.9174 ? H(1WO) -.2700 -.3672 -1.3782 ? H(1W') -.2692 -.3417 -1.3094 ? H(2WO) -.5926 -.6341 -1.5246 ? H(2W') -.4950 -.6874 -1.4756 ? H(3WO) -1.0027 -.1332 -1.4200 ? H(3W') -1.0094 -.1894 -1.3831 ? H(4WO) -.9920 .1825 -1.3866 ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_publ_flag Mo(1) Mo(2) 2.5540(10) yes Mo(1) O(1) 1.926(4) yes Mo(1) O(2) 1.941(4) yes Mo(1) O(3) 1.691(5) yes Mo(1) O(5) 2.113(5) yes Mo(1) O(6) 2.101(6) yes Mo(1) N(1) 2.419(5) yes Mo(2) O(1) 1.932(4) yes Mo(2) O(2) 1.934(4) yes Mo(2) O(4) 1.696(4) yes Mo(2) O(7) 2.113(4) yes Mo(2) O(8) 2.098(5) yes Mo(2) N(2) 2.397(4) yes O(5) C(1) 1.277(9) yes O(6) C(4) 1.277(8) yes O(7) C(8) 1.302(7) yes O(8) C(10) 1.279(7) yes O(9) C(1) 1.203(9) yes O(9) Na(2) 2.344(9) yes O(10) C(4) 1.252(9) yes O(11) C(10) 1.195(8) yes O(11) Na(1) 2.357(7) yes O(12) C(8) 1.218(8) yes N(1) C(2) 1.488(8) yes N(1) C(3) 1.474(8) yes N(1) C(5) 1.485(7) yes N(2) C(6) 1.502(6) yes N(2) C(7) 1.483(7) yes N(2) C(9) 1.487(7) yes C(1) C(2) 1.522(8) yes C(3) C(4) 1.500(10) yes C(5) C(6) 1.542(8) yes C(7) C(8) 1.515(8) yes C(9) C(10) 1.534(8) yes Na(1) O(1W) 2.554(8) yes Na(1) O(2W) 2.580(10) yes Na(2) O(3W) 2.458(9) yes Na(2) O(4W) 2.455(9) yes C(3) H(3A) 1.00(7) no C(3) H(3B) 1.00(7) no C(5) H(5A) 1.00(7) no C(5) H(5B) 1.00(6) no C(6) H(6A) 1.00(6) no C(6) H(6B) 1.00(7) no C(7) H(7A) 1.00(6) no C(7) H(7B) 1.00(6) no C(9) H(9A) 1.00(7) no C(9) H(9B) 1.00(6) no