data_2003454
_journal_name_full    'Acta Crystallographica'
_journal_year         1995
_journal_volume    	C51
_journal_page_first    	843
_journal_page_last    	846
_publ_section_title    	
;
Two Ternary Ni^II^ Complexes: Bisglycinato(1,10-phenanthroline)nickel(II)
Trihydrate and Bisglycinato(2,2'-bipyridine)nickel(II) Trihydrate
;
_chemical_formula_sum    	'C16 H22 N4 Ni1 O7'
_chemical_formula_weight    	441.1
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 21/c'
_cell_length_a    	13.467(1)
_cell_length_b    	9.304(1)
_cell_length_c    	15.752(2)
_cell_angle_alpha    	90
_cell_angle_beta    	109.11(1)
_cell_angle_gamma    	90
_cell_volume    	1864.9
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	1.57
_exptl_crystal_density_meas    	?
_diffrn_radiation_type    	'CuK\a'
_diffrn_radiation_wavelength    	1.5418
_cell_measurement_reflns_used    	25
_cell_measurement_theta_min    	16
_cell_measurement_theta_max    	23
_exptl_absorpt_coefficient_mu    	1.957
_cell_measurement_temperature    	293
_exptl_crystal_description    	'Prismatic'
_exptl_crystal_size_max    	0.3
_exptl_crystal_size_mid    	0.2
_exptl_crystal_size_min    	0.2
_exptl_crystal_size_rad    	?
_exptl_crystal_colour    	'Purple'
_chemical_compound_source    	?
_diffrn_measurement_device    	'Enraf-Nonius CAD-4'
_diffrn_measurement_method    	'\w-2\q'
_exptl_absorpt_correction_type    	'none'
_exptl_absorpt_correction_T_min    	?
_exptl_absorpt_correction_T_max    	?
_diffrn_reflns_number    	3418
_reflns_number_total    	3249
_reflns_number_observed    	2874
_reflns_observed_criterion    	I>3\s(I)
_diffrn_reflns_av_R_equivalents    	'?'
_diffrn_reflns_theta_max    	70
_diffrn_reflns_limit_h_min    	-16
_diffrn_reflns_limit_h_max    	16
_diffrn_reflns_limit_k_min    	0
_diffrn_reflns_limit_k_max    	11
_diffrn_reflns_limit_l_min    	0
_diffrn_reflns_limit_l_max    	19
_diffrn_standards_number    	3
_diffrn_standards_interval_count    	?
_diffrn_standards_interval_time    	120
_diffrn_standards_decay_%    	'not significant'
_refine_ls_structure_factor_coef    	F
_refine_ls_R_factor_obs    	0.058
_refine_ls_wR_factor_obs    	0.071
_refine_ls_goodness_of_fit_obs    	1.216
_refine_ls_number_reflns    	2874
_refine_ls_number_parameters    	327
_refine_ls_hydrogen_treatment    	'refxyz'
_refine_ls_weighting_scheme    	'w = 1/[\s^2^(F) + 0.006505F^2^]'
_refine_ls_shift/esd_max    	0.7
_refine_diff_density_max    	0.77
_refine_diff_density_min    	-0.94
_refine_ls_extinction_method    	'?'
_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
    Ni .17629(4) .20136(6) .28404(3) 2.18(2)
    O(1) .0594(2) .3288(3) .3035(2) 2.72(6)
    O(2) -.0832(3) .3198(3) .3440(3) 4.95(9)
    O(3) .2170(2) .3521(3) .2045(2) 2.74(6)
    O(4) .1964(3) .4137(3) .0635(2) 4.07(7)
    N(1) .2878(3) .2876(3) .3976(2) 2.76(7)
    N(2) .3116(2) .0767(3) .2908(2) 2.58(6)
    N(3) .1168(2) .0577(3) .3568(2) 2.63(6)
    N(4) .0781(2) .1356(3) .1590(2) 2.65(7)
    C(1) .2725(4) .3920(4) .4491(2) 3.26(9)
    C(2) .3547(4) .4397(5) .5263(3) 4.3(1)
    C(3) .4494(4) .3793(5) .5482(3) 4.3(1)
    C(4) .5685(4) .2037(5) .5097(3) 4.5(1)
    C(5) .5830(3) .1023(6) .4535(3) 4.5(1)
    C(6) .5070(4) -.0508(5) .3161(3) 4.4(1)
    C(7) .4199(4) -.0937(5) .2480(3) 4.3(1)
    C(8) .3236(3) -.0286(4) .2384(3) 3.4(1)
    C(9) .3840(3) .2289(4) .4177(2) 2.65(8)
    C(10) .3991(3) .1183(4) .3595(2) 2.75(8)
    C(11) .4688(3) .2708(5) .4935(3) 3.55(9)
    C(12) .4981(3) .0563(5) .3751(3) 3.45(9)
    C(13) -.0060(3) .2628(4) .3307(2) 2.72(8)
    C(14) .0086(3) .1015(4) .3474(2) 2.79(8)
    C(15) .1787(3) .3355(4) .1204(2) 2.71(8)
    C(16) .1076(4) .2061(4) .0884(3) 3.7(1)
    O(W1) .2810(3) .6161(4) .2884(2) 5.5(1)
    O(W2) .1490(3) .7285(4) .3817(3) 5.5(1)
    O(W3) .2095(4) .7844(4) .5703(4) 7.4(1)
    H(C1) .198(3) .433(5) .437(3) 3
    H(C2) .331(3) .522(5) .556(3) 3
    H(C3) .502(3) .418(5) .599(3) 3
    H(C4) .634(4) .232(5) .567(3) 3
    H(C5) .637(3) .059(5) .450(3) 3
    H(C6) .573(3) -.099(5) .316(3) 3
    H(C7) .424(3) -.157(5) .209(3) 3
    H(C8) .268(4) -.062(5) .200(3) 3
    H'(C14) -.003(3) .065(5) .394(3) 3
    H"(C14) -.034(3) .050(3) .295(3) 3
    H'(C16) .055(4) .234(5) .047(3) 3
    H"(C16) .127(4) .157(6) .064(3) 3
    H'(N3) .157(3) .061(5) .425(3) 3
    H"(N3) .124(4) -.046(5) .338(3) 3
    H'(N4) .001(4) .166(5) .148(3) 3
    H"(N4) .089(4) .033(5) .139(3) 3
    H'(W1) .286(4) .677(5) .235(3) 3
    H"(W1) .28(4) .518(5) .258(3) 3
    H'(W2) .203(4) .679(5) .357(3) 3
    H"(W2) .172(4) .722(5) .451(3) 3
    H'(W3) .224(4) .699(5) .535(3) 3
    H"(W3) .196(4) .891(5) .553(3) 3