data_2003577
_journal_name_full    'Acta Crystallographica'
_journal_year         1995
_journal_volume    	C51
_journal_page_first    	1092
_journal_page_last    	1094
_publ_section_title    	
;
Bis[hydrotris(1-pyrazolyl)borato]zinc(II)
;
_chemical_formula_sum    	'C18 H20 B2 N12 Zn1'
_chemical_formula_weight    	491.45
loop_
    _symmetry_equiv_pos_as_xyz
    'x,y,z'
    '1/2+x,1/2-y,1/2+z'
    '-x,-y,-z'
    '1/2-x,1/2+y,1/2-z'
_symmetry_space_group_name_H-M    	'P 21/n'
_cell_length_a    	13.342(1)
_cell_length_b    	17.709(2)
_cell_length_c    	9.723(2)
_cell_angle_alpha    	90
_cell_angle_beta    	97.23(1)
_cell_angle_gamma    	90
_cell_volume    	2278.9(5)
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	1.43
_exptl_crystal_density_meas    	1.43
_exptl_crystal_density_method    	'flotation in aqueous ZnCl~2~'
_diffrn_radiation_type    	'MoK\a'
_diffrn_radiation_wavelength    	0.71073
_cell_measurement_reflns_used    	25
_cell_measurement_theta_min    	12.5
_cell_measurement_theta_max    	15
_exptl_absorpt_coefficient_mu    	1.134
_cell_measurement_temperature    	room
_exptl_crystal_description    	'Hexagonal prism'
_exptl_crystal_size_max    	0.7
_exptl_crystal_size_mid    	0.3
_exptl_crystal_size_min    	0.3
_exptl_crystal_size_rad    	?
_exptl_crystal_colour    	'Colorless'
_chemical_compound_source    	'CH~3~CH/H~2~O'
_diffrn_measurement_device    	'Rigaku AFC-5R'
_diffrn_measurement_method    	'\w-2\q'
_exptl_absorpt_correction_type    	'none'
_exptl_absorpt_correction_T_min    	?
_exptl_absorpt_correction_T_max    	?
_diffrn_reflns_number    	7347
_reflns_number_total    	5287
_reflns_number_observed    	4887
_reflns_observed_criterion    	|F|>3\s|F|
_diffrn_reflns_av_R_equivalents    	0.0175
_diffrn_reflns_theta_max    	30
_diffrn_reflns_limit_h_min    	-19
_diffrn_reflns_limit_h_max    	19
_diffrn_reflns_limit_k_min    	0
_diffrn_reflns_limit_k_max    	25
_diffrn_reflns_limit_l_min    	0
_diffrn_reflns_limit_l_max    	24
_diffrn_standards_number    	3
_diffrn_standards_interval_count    	150
_diffrn_standards_interval_time    	?
_diffrn_standards_decay_%    	<1
_refine_ls_structure_factor_coef    	F
_refine_ls_R_factor_obs    	0.0467
_refine_ls_wR_factor_obs    	0.0476
_refine_ls_goodness_of_fit_obs    	1.79
_refine_ls_number_reflns    	4887
_refine_ls_number_parameters    	379
_refine_ls_hydrogen_treatment    	'refall'
_refine_ls_weighting_scheme    	'w =  1/[\s^2^(|F~o~|) + (0.015|F~o~|)^2^]'
_refine_ls_shift/esd_max    	0.44
_refine_diff_density_max    	1.28
_refine_diff_density_min    	-0.56
_refine_ls_extinction_method    	'none'
_refine_ls_extinction_coef    	?
_atom_type_scat_source    	'IntTabIV'
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_B_iso_or_equiv
    Zn .16124(2) .14910(1) .35436(3) 3.2(1)
    N11 .1997(2) .2590(1) .4386(2) 3.8(1)
    N12 .1347(2) .3174(1) .4031(2) 3.5(1)
    N21 .0101(2) .1738(1) .3956(2) 3.9(1)
    N22 -.0273(1) .2443(1) .3639(2) 3.4(1)
    N31 .1205(1) .2081(1) .1607(2) 3.6(1)
    N32 .0663(1) .2735(1) .1632(2) 3.3(1)
    N41 .2105(2) .0930(1) .5475(2) 3.8(1)
    N42 .2654(1) .0283(1) .5428(2) 3.4(1)
    N51 .3112(1) .1247(1) .3005(2) 3.5(1)
    N52 .3505(1) .0547(1) .3315(2) 3.5(1)
    N61 .1222(1) .0382(1) .2774(2) 3.8(1)
    N62 .1900(2) -.0191(1) .3095(2) 3.5(1)
    C13 .1672(2) .3789(1) .4771(3) 4.1(1)
    C14 .2537(2) .3611(2) .5619(3) 4.6(1)
    C15 .2707(2) .2859(2) .5340(3) 4.2(1)
    C23 -.1229(2) .2483(1) .3922(3) 3.7(1)
    C24 -.1494(2) .1801(2) .4432(3) 4.4(1)
    C25 -.0642(2) .1361(1) .4435(3) 4.3(1)
    C33 .0440(2) .2995(1) .0333(3) 3.8(1)
    C34 .0844(2) .2515(2) -.0550(3) 4.4(1)
    C35 .1315(2) .1956(2) .0292(3) 3.9(1)
    C43 .2872(2) .0011(1) .6718(3) 4.2(1)
    C44 .2463(3) .0473(2) .7621(3) 5.2(1)
    C45 .1993(2) .1039(2) .6790(3) 4.5(1)
    C53 .4362(2) .0465(2) .2745(3) 4.4(1)
    C54 .4543(2) .1117(2) .2069(3) 4.9(1)
    C55 .3744(2) .1582(2) .2255(3) 4.0(1)
    C63 .1547(2) -.0823(1) .2439(3) 4.4(1)
    C64 .0644(2) -.0672(2) .1695(3) 5.6(1)
    C65 .0467(2) .0081(2) .1927(3) 4.8(1)
    B1 .0380(2) .3041(2) .3012(3) 3.5(1)
    B2 .2897(2) -.0040(2) .4033(3) 3.6(1)
    HB1 -.0086(16) .3569(12) .2819(22) 3.3(5)
    HB2 .3339(15) -.0573(12) .4245(22) 3.3(5)
    H13 .1280(17) .4253(13) .4578(23) 4.1(5)
    H14 .2981(21) .3922(17) .6238(28) 5.8(7)
    H15 .3252(18) .2554(14) .5720(25) 4.6(6)
    H23 -.1582(17) .2950(13) .3758(24) 4.1(5)
    H24 -.2124(21) .1646(16) .4755(28) 6.0(7)
    H25 -.0516(20) .0882(15) .4787(28) 5.9(7)
    H33 .0066(18) .3456(14) .0220(26) 4.5(6)
    H34 .0818(17) .2574(14) -.1487(25) 4.6(6)
    H35 .1711(18) .1512(14) .0096(26) 4.7(6)
    H43 .3230(18) -.0427(14) .6832(25) 4.5(6)
    H44 .2522(21) .0437(16) .8623(28) 6.3(7)
    H45 .1585(16) .1451(13) .6971(23) 3.5(5)
    H53 .4725(17) -.0004(14) .2833(24) 4.1(5)
    H54 .5063(20) .1211(17) .1608(28) 6.0(7)
    H55 .3598(19) .2044(15) .1904(26) 5.2(6)
    H63 .1938(20) -.1237(16) .2586(27) 5.5(6)
    H64 .0260(21) -.1004(17) .1120(29) 6.6(7)
    H65 -.0067(18) .0395(14) .1624(24) 4.4(6)