data_2000572
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1896
_journal_page_last  1898
_chemical_formula_moiety  'C20 H48 Cr2 N4 O10,Cl8 Zn2,2(H2 O1)'
_chemical_formula_sum  'C20 H52 Cl8 Cr2 N4 O12 Zn2'
_chemical_formula_weight  1059
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_cell_length_a  11.6420(6)
_cell_length_b  9.3595(5)
_cell_length_c  21.0985(11)
_cell_angle_alpha  90.
_cell_angle_beta  104.252(5)
_cell_angle_gamma  90.
_cell_volume  2228.2
_cell_formula_units_Z  2
_cell_measurement_reflns_used  32
_cell_measurement_theta_min  10
_cell_measurement_theta_max  12.5
_cell_measurement_temperature  293
_exptl_crystal_description  'Block'
_exptl_crystal_colour  'Dark blue'
_exptl_crystal_size_max  0.42
_exptl_crystal_size_mid  0.38
_exptl_crystal_size_min  0.35
_exptl_crystal_size_rad  ?
_exptl_crystal_density_diffrn  1.578
_exptl_crystal_density_meas  ?
_exptl_absorpt_coefficient_mu  2.09
_exptl_absorpt_correction_type  'semi-empirical'
_exptl_absorpt_correction_T_min  0.386
_exptl_absorpt_correction_T_max  0.444
_diffrn_radiation_type  'MoK\a'
_diffrn_radiation_wavelength  0.71073
_diffrn_measurement_device  'Stoe-Siemens'
_diffrn_measurement_method  '\w/\q'
_diffrn_reflns_number  4817
_diffrn_reflns_av_R_equivalents  0.0195
_diffrn_reflns_theta_max  25
_diffrn_reflns_limit_h_min  0
_diffrn_reflns_limit_h_max  13
_diffrn_reflns_limit_k_min  -11
_diffrn_reflns_limit_k_max  2
_diffrn_reflns_limit_l_min  -25
_diffrn_reflns_limit_l_max  25
_diffrn_standards_number  3
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time  60
_diffrn_standards_decay_%  7
_reflns_number_total  3909
_reflns_number_observed  2881
_reflns_observed_criterion  F>4\s(F)
_refine_ls_structure_factor_coef  F
_refine_ls_R_factor_obs  0.0488
_refine_ls_wR_factor_obs  0.0601
_refine_ls_goodness_of_fit_obs  2.06
_refine_ls_number_reflns  2881
_refine_ls_number_parameters  236
_refine_ls_hydrogen_treatment  ?
_refine_ls_weighting_scheme  '1/[\s^2^(F) + 0.00029F^2^]'
_refine_ls_shift/esd_max  0.051
_refine_diff_density_max  0.99
_refine_diff_density_min  -0.95
_refine_ls_extinction_method  "F~c~^'^ = F~c~/(1+xF~c~^2^/sin2\q)^0.25^"
_refine_ls_extinction_coef  'x = 4(1) x 10^-7^'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 Cr .44580(7) .59219(8) .52175(4) .0329(3)
 Zn .16203(5) .10833(7) .65861(3) .0411(2)
 O(11) .4581(3) .4615(4) .5991(2) .0400(10)
 O(12) .5548(3) .2912(4) .5590(2) .0400(10)
 C(11) .5085(4) .3419(5) .6017(2) .035(2)
 C(12) .5115(4) .2607(5) .6642(2) .034(2)
 N(1) .5716(3) .1190(4) .6743(2) .0360(10)
 C(13) .7003(4) .1310(6) .6752(3) .048(2)
 C(14) .5632(5) .0670(6) .7405(3) .052(2)
 C(15) .5142(5) .0143(6) .6235(3) .057(2)
 O(21) .2974(3) .4931(4) .4700(2) .0450(10)
 O(22) .3963(3) .3220(4) .4328(2) .0420(10)
 C(21) .3030(5) .3837(5) .4368(2) .037(2)
 C(22) .1903(5) .3160(6) .3976(3) .047(2)
 N(2) .0838(4) .4115(5) .3761(2) .041(2)
 C(23) -.0113(5) .3270(8) .3301(3) .065(3)
 C(24) .1136(6) .5386(7) .3398(3) .067(3)
 C(25) .0376(6) .4603(10) .4325(4) .086(3)
 O(3) .3314(4) .7480(4) .5589(2) .062(2)
 Cl(1) .26080(10)
       -.1022(2) .68970(10)
           .0590(10)
 Cl(2) -.03130(10)
     .0711(2) .65000(10)
           .0720(10)
 Cl(3) .2004(2) .1854(2) .56530(10)
          .0820(10)
 Cl(4) .2319(2) .2733(2) .73620(10)
          .0990(10)
 O(4) .1366(11) .8719(11) .5014(5) .343(8)
 H(12a) .4308 .2456 .6659 ?
 H(12b) .5504 .3209 .6999 ?
 H(13a) .7118 .1520 .6326 ?
 H(13b) .7324 .0384 .6889 ?
 H(13c) .7398 .2018 .7058 ?
 H(14a) .6020 -.0241 .7483 ?
 H(14b) .4815 .0566 .7412 ?
 H(14c) .6012 .1330 .7739 ?
 H(15a) .4313 .0080 .6221 ?
 H(15b) .5495 -.0787 .6318 ?
 H(15c) .5237 .0492 .5823 ?
 H(22a) .2072 .2759 .3590 ?
 H(22b) .1694 .2408 .4237 ?
 H(23a) -.0784 .3886 .3153 ?
 H(23b) -.0323 .2498 .3550 ?
 H(23c) .0127 .2892 .2930 ?
 H(24a) .1790 .5939 .3643 ?
 H(24b) .0435 .5967 .3296 ?
 H(24c) .1308 .5059 .3000 ?
 H(25a) .0905 .5153 .4656 ?
 H(25b) .0299 .3659 .4488 ?
 H(25c) -.0387 .5056 .4212 ?