#------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/13/2011361.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2011361
loop_
_publ_author_name
'Sung, Nack-Do'
'Yun, Ki-Seob'
'Kim, Jin-Gyu'
'Suh, Il-Hwan'
_publ_section_title
;μ-Aqua-pentaaqua[μ-3,6-bis(6-methyl-2-pyridyl)pyridazine]chlorodinickel(II)
 trichloride trihydrate
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              e370
_journal_page_last               e371
_journal_paper_doi               10.1107/S0108270100010507
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac          '[Ni2 Cl (C16 H14 N4) (H2 O)6] 3Cl, 3H2 O'
_chemical_formula_moiety         'C16 H26 Cl N4 Ni2 O6 3+, 3Cl 1-, 3H2 O'
_chemical_formula_sum            'C16 H32 Cl4 N4 Ni2 O9'
_chemical_formula_weight         683.68
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                112.119(13)
_cell_angle_beta                 103.677(10)
_cell_angle_gamma                96.013(14)
_cell_formula_units_Z            2
_cell_length_a                   11.1807(11)
_cell_length_b                   11.626(3)
_cell_length_c                   11.7904(16)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    289(2)
_cell_measurement_theta_max      14.9
_cell_measurement_theta_min      11.3
_cell_volume                     1347.2(5)
_computing_cell_refinement       'CAD-4 EXPRESS Software'
_computing_data_collection       'CAD-4 EXPRESS Software (Enraf-Nonius, 1994)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      289(2)
_diffrn_measured_fraction_theta_full .999
_diffrn_measured_fraction_theta_max .999
_diffrn_measurement_device_type  'Enraf Nonius CAD-4'
_diffrn_measurement_method       'non-profiled ω/2θ'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .017
_diffrn_reflns_av_sigmaI/netI    .0259
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4975
_diffrn_reflns_theta_full        24.97
_diffrn_reflns_theta_max         24.97
_diffrn_reflns_theta_min         2.10
_diffrn_standards_decay_%        1
_diffrn_standards_interval_time  300
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.845
_exptl_absorpt_correction_T_max  .544
_exptl_absorpt_correction_T_min  .281
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            'light green'
_exptl_crystal_density_diffrn    1.685
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             704
_exptl_crystal_size_max          .56
_exptl_crystal_size_mid          .50
_exptl_crystal_size_min          .33
_refine_diff_density_max         .66
_refine_diff_density_min         -.34
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    'H atoms: see below'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         4725
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          .044
_refine_ls_R_factor_gt           .032
_refine_ls_shift/su_max          <0.001
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[σ²(Fo²)+(0.0401P)²+1.2395P] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .080
_reflns_number_gt                3927
_reflns_number_total             4725
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            qd0003.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1347.2(4)
_cod_database_code               2011361
_cod_database_fobs_code          2011361
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Ni1 .35810(3) .60430(3) .71999(3) .01962(10) Uani d . 1 . . Ni
Ni2 .25947(3) .30040(3) .72584(3) .02032(10) Uani d . 1 . . Ni
Cl1 .45475(7) .32757(7) .87802(7) .02993(18) Uani d . 1 . . Cl
Cl2 .65997(8) .43154(8) .68478(8) .0370(2) Uani d . 1 . . Cl
Cl3 .23285(9) -.01280(9) .31456(9) .0466(2) Uani d . 1 . . Cl
Cl4 .03261(8) .33225(10) .33058(9) .0466(2) Uani d . 1 . . Cl
N1 .3427(2) .7920(2) .8202(2) .0244(5) Uani d . 1 . . N
N2 .2728(2) .5826(2) .8490(2) .0202(5) Uani d . 1 . . N
N3 .2365(2) .4702(2) .8508(2) .0202(5) Uani d . 1 . . N
N4 .1517(2) .2367(2) .8243(2) .0232(5) Uani d . 1 . . N
C1 .4087(4) .8802(4) .6801(4) .0507(10) Uani d . 1 . . C
H1A .4037 .7917 .6311 .076 Uiso calc R 1 . . H
H1B .4930 .9270 .7026 .076 Uiso calc R 1 . . H
H1C .3514 .9113 .6299 .076 Uiso calc R 1 . . H
C2 .3743(3) .8969(3) .7993(3) .0308(7) Uani d . 1 . . C
C3 .3724(3) 1.0167(3) .8857(3) .0356(8) Uani d . 1 . . C
H3A .3946 1.0875 .8700 .043 Uiso calc R 1 . . H
C4 .3385(3) 1.0317(3) .9932(4) .0379(8) Uani d . 1 . . C
H4A .3397 1.1124 1.0522 .045 Uiso calc R 1 . . H
C5 .3021(3) .9252(3) 1.0137(3) .0332(7) Uani d . 1 . . C
H5A .2764 .9327 1.0852 .040 Uiso calc R 1 . . H
C6 .3049(3) .8079(3) .9253(3) .0226(6) Uani d . 1 . . C
C7 .2634(3) .6894(3) .9389(3) .0223(6) Uani d . 1 . . C
C8 .2143(3) .6875(3) 1.0369(3) .0275(7) Uani d . 1 . . C
H8A .2075 .7625 1.0993 .033 Uiso calc R 1 . . H
C9 .1768(3) .5732(3) 1.0387(3) .0265(7) Uani d . 1 . . C
H9A .1433 .5682 1.1022 .032 Uiso calc R 1 . . H
C10 .1897(3) .4636(3) .9429(3) .0210(6) Uani d . 1 . . C
C11 .1501(3) .3336(3) .9331(3) .0228(6) Uani d . 1 . . C
C12 .1110(3) .3143(3) 1.0281(3) .0306(7) Uani d . 1 . . C
H12 .1146 .3826 1.1033 .037 Uiso calc R 1 . . H
C13 .0659(3) .1901(3) 1.0087(3) .0355(8) Uani d . 1 . . C
H13 .0407 .1734 1.0718 .043 Uiso calc R 1 . . H
C14 .0592(3) .0935(3) .8958(3) .0350(8) Uani d . 1 . . C
H14 .0252 .0104 .8798 .042 Uiso calc R 1 . . H
C15 .1029(3) .1174(3) .8032(3) .0276(7) Uani d . 1 . . C
C16 .0906(3) .0115(3) .6784(3) .0390(8) Uani d . 1 . . C
H16A .1255 .0441 .6267 .058 Uiso calc R 1 . . H
H16B .0031 -.0278 .6345 .058 Uiso calc R 1 . . H
H16C .1351 -.0502 .6931 .058 Uiso calc R 1 . . H
OW1 .36088(18) .40352(18) .64715(18) .0229(4) Uani d . 1 . . O
HW1A .3431 .3646 .5649 .027 Uiso d . 1 . . H
HW1B .4405 .3970 .6742 .027 Uiso d . 1 . . H
OW2 .3051(2) .2823(2) .3892(2) .0409(6) Uani d . 1 . . O
HW2A .2877 .1975 .3580 .049 Uiso d . 1 . . H
HW2B .2203 .3012 .3621 .049 Uiso d . 1 . . H
OW3 .4514(2) .6075(2) .5943(2) .0303(5) Uani d . 1 . . O
HW3A .5253 .6217 .6032 .036 Uiso d . 1 . . H
HW3B .4177 .6053 .5213 .036 Uiso d . 1 . . H
OW4 .1932(2) .5741(2) .5816(2) .0360(5) Uani d . 1 . . O
HW4A .1564 .5058 .5025 .043 Uiso d . 1 . . H
HW4B .1337 .6155 .6198 .043 Uiso d . 1 . . H
OW5 .5361(2) .6387(2) .84712(19) .0287(5) Uani d . 1 . . O
HW5A .5419 .6420 .9218 .034 Uiso d . 1 . . H
HW5B .5783 .5811 .8077 .034 Uiso d . 1 . . H
OW6 .0958(2) .2742(2) .5854(2) .0346(5) Uani d . 1 . . O
HW6A .0789 .2848 .5171 .041 Uiso d . 1 . . H
HW6B .0198 .2738 .6064 .041 Uiso d . 1 . . H
OW7 .2996(2) .1397(2) .6081(2) .0311(5) Uani d . 1 . . O
HW7A .3719 .1409 .6109 .037 Uiso d . 1 . . H
HW7B .2588 .1055 .5332 .037 Uiso d . 1 . . H
OW8 -.1114(3) .2745(4) .6678(4) .0787(10) Uani d . 1 . . O
HW8A -.1855 .3257 .6590 .094 Uiso d . 1 . . H
HW8B -.1511 .1938 .6825 .094 Uiso d . 1 . . H
OW9 .5363(3) .1395(3) .6033(3) .0649(9) Uani d . 1 . . O
HW9A .5837 .0841 .6053 .078 Uiso d . 1 . . H
HW9B .5922 .2150 .6483 .078 Uiso d . 1 . . H
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C .0033 .0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H .0000 .0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O .0106 .0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N .0061 .0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl .1484 .1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni .3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
OW3 Ni1 OW4 88.47(9) y
OW3 Ni1 N2 172.94(9) y
OW4 Ni1 N2 95.14(9) y
OW3 Ni1 OW5 85.24(9) y
OW4 Ni1 OW5 173.63(9) y
N2 Ni1 OW5 91.22(9) y
OW3 Ni1 N1 106.99(10) y
OW4 Ni1 N1 90.20(10) y
N2 Ni1 N1 79.11(9) y
OW5 Ni1 N1 90.67(9) y
OW3 Ni1 OW1 84.67(8) y
OW4 Ni1 OW1 92.54(9) y
N2 Ni1 OW1 89.10(8) y
OW5 Ni1 OW1 87.88(8) y
N1 Ni1 OW1 168.09(9) y
OW7 Ni2 N3 174.70(9) y
OW7 Ni2 OW6 90.62(9) y
N3 Ni2 OW6 93.56(10) y
OW7 Ni2 N4 104.26(9) y
N3 Ni2 N4 79.05(9) y
OW6 Ni2 N4 89.59(9) y
OW7 Ni2 OW1 87.81(8) y
N3 Ni2 OW1 88.97(8) y
OW6 Ni2 OW1 89.42(8) y
N4 Ni2 OW1 167.89(9) y
OW7 Ni2 Cl1 86.88(7) y
N3 Ni2 Cl1 88.81(7) y
OW6 Ni2 Cl1 176.49(7) y
N4 Ni2 Cl1 93.40(7) y
OW1 Ni2 Cl1 88.03(6) y
C6 N1 C2 117.8(3) ?
C6 N1 Ni1 112.89(19) ?
C2 N1 Ni1 129.1(2) ?
C7 N2 N3 120.6(2) ?
C7 N2 Ni1 115.85(19) ?
N3 N2 Ni1 123.40(18) ?
C10 N3 N2 120.4(2) ?
C10 N3 Ni2 115.25(19) ?
N2 N3 Ni2 124.13(18) ?
C15 N4 C11 118.6(3) ?
C15 N4 Ni2 129.2(2) ?
C11 N4 Ni2 111.54(19) ?
C2 C1 H1A 109.5 ?
C2 C1 H1B 109.5 ?
H1A C1 H1B 109.5 ?
C2 C1 H1C 109.5 ?
H1A C1 H1C 109.5 ?
H1B C1 H1C 109.5 ?
N1 C2 C3 120.8(3) ?
N1 C2 C1 118.6(3) ?
C3 C2 C1 120.6(3) ?
C4 C3 C2 120.6(3) ?
C4 C3 H3A 119.7 ?
C2 C3 H3A 119.7 ?
C3 C4 C5 119.2(3) ?
C3 C4 H4A 120.4 ?
C5 C4 H4A 120.4 ?
C6 C5 C4 118.3(3) ?
C6 C5 H5A 120.9 ?
C4 C5 H5A 120.9 ?
N1 C6 C5 123.2(3) ?
N1 C6 C7 115.6(2) ?
C5 C6 C7 121.2(3) ?
N2 C7 C8 121.2(3) ?
N2 C7 C6 115.5(3) ?
C8 C7 C6 123.3(3) ?
C9 C8 C7 118.4(3) ?
C9 C8 H8A 120.8 ?
C7 C8 H8A 120.8 ?
C8 C9 C10 118.4(3) ?
C8 C9 H9A 120.8 ?
C10 C9 H9A 120.8 ?
N3 C10 C9 121.0(3) ?
N3 C10 C11 115.5(2) ?
C9 C10 C11 123.5(3) ?
N4 C11 C12 122.9(3) ?
N4 C11 C10 115.9(3) ?
C12 C11 C10 121.2(3) ?
C11 C12 C13 118.4(3) ?
C11 C12 H12 120.8 ?
C13 C12 H12 120.8 ?
C14 C13 C12 118.7(3) ?
C14 C13 H13 120.7 ?
C12 C13 H13 120.7 ?
C13 C14 C15 120.9(3) ?
C13 C14 H14 119.5 ?
C15 C14 H14 119.5 ?
N4 C15 C14 120.3(3) ?
N4 C15 C16 119.4(3) ?
C14 C15 C16 120.2(3) ?
C15 C16 H16A 109.5 ?
C15 C16 H16B 109.5 ?
H16A C16 H16B 109.5 ?
C15 C16 H16C 109.5 ?
H16A C16 H16C 109.5 ?
H16B C16 H16C 109.5 ?
Ni2 OW1 Ni1 113.79(9) y
Ni2 OW1 HW1A 112.34 ?
Ni1 OW1 HW1A 115.44 ?
Ni2 OW1 HW1B 103.81 ?
Ni1 OW1 HW1B 107.49 ?
HW1A OW1 HW1B 102.44 ?
HW2A OW2 HW2B 102.5 ?
Ni1 OW3 HW3A 130.56 ?
Ni1 OW3 HW3B 124.57 ?
HW3A OW3 HW3B 104.2 ?
Ni1 OW4 HW4A 129.66 ?
Ni1 OW4 HW4B 110.45 ?
HW4A OW4 HW4B 113.9 ?
Ni1 OW5 HW5A 119.03 ?
Ni1 OW5 HW5B 108.33 ?
HW5A OW5 HW5B 110.0 ?
Ni2 OW6 HW6A 134.7 ?
Ni2 OW6 HW6B 118.30 ?
HW6A OW6 HW6B 104.1 ?
Ni2 OW7 HW7A 117.13 ?
Ni2 OW7 HW7B 119.51 ?
HW7A OW7 HW7B 106.8 ?
HW8A OW8 HW8B 105.6 ?
HW9A OW9 HW9B 102.8 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ni1 OW3 . 2.013(2) y
Ni1 OW4 . 2.048(2) y
Ni1 N2 . 2.051(2) y
Ni1 OW5 . 2.083(2) y
Ni1 N1 . 2.102(2) y
Ni1 OW1 . 2.169(2) y
Ni2 OW7 . 2.033(2) y
Ni2 N3 . 2.057(2) y
Ni2 OW6 . 2.063(2) y
Ni2 N4 . 2.115(2) y
Ni2 OW1 . 2.153(2) y
Ni2 Cl1 . 2.3796(9) y
N1 C6 . 1.357(4) ?
N1 C2 . 1.360(4) ?
N2 C7 . 1.329(4) ?
N2 N3 . 1.337(3) ?
N3 C10 . 1.335(4) ?
N4 C15 . 1.341(4) ?
N4 C11 . 1.357(4) ?
C1 C2 . 1.492(5) ?
C1 H1A . .9600 ?
C1 H1B . .9600 ?
C1 H1C . .9600 ?
C2 C3 . 1.388(5) ?
C3 C4 . 1.363(5) ?
C3 H3A . .9300 ?
C4 C5 . 1.386(5) ?
C4 H4A . .9300 ?
C5 C6 . 1.379(4) ?
C5 H5A . .9300 ?
C6 C7 . 1.486(4) ?
C7 C8 . 1.397(4) ?
C8 C9 . 1.360(4) ?
C8 H8A . .9300 ?
C9 C10 . 1.398(4) ?
C9 H9A . .9300 ?
C10 C11 . 1.483(4) ?
C11 C12 . 1.377(4) ?
C12 C13 . 1.392(5) ?
C12 H12 . .9300 ?
C13 C14 . 1.360(5) ?
C13 H13 . .9300 ?
C14 C15 . 1.400(4) ?
C14 H14 . .9300 ?
C15 C16 . 1.485(5) ?
C16 H16A . .9600 ?
C16 H16B . .9600 ?
C16 H16C . .9600 ?
OW1 HW1A . .8628 ?
OW1 HW1B . .893 ?
OW2 HW2A . .893 ?
OW2 HW2B . 1.001 ?
OW3 HW3A . .799 ?
OW3 HW3B . .843 ?
OW4 HW4A . .929 ?
OW4 HW4B . .960 ?
OW5 HW5A . .853 ?
OW5 HW5B . .907 ?
OW6 HW6A . .841 ?
OW6 HW6B . .939 ?
OW7 HW7A . .800 ?
OW7 HW7B . .808 ?
OW8 HW8A . 1.077 ?
OW8 HW8B . 1.086 ?
OW9 HW9A . .880 ?
OW9 HW9B . .905 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
OW1 HW1A OW2 . .863 1.84 2.705(3) 179.70
OW1 HW1B Cl2 . .893 2.41 3.232(2) 153.08
OW2 HW2A Cl3 . .893 2.28 3.163(3) 168.64
OW2 HW2B Cl4 . 1.001 2.14 3.126(3) 169.63
OW3 HW3A OW2 2_666 .799 2.06 2.815(3) 157.05
OW3 HW3B Cl2 2_666 .843 2.23 3.066(2) 170.12
OW4 HW4A Cl4 . .929 2.26 3.171(3) 166.90
OW4 HW4B Cl4 2_566 .960 2.16 3.097(2) 166.00
OW5 HW5A Cl1 2_667 .853 2.24 3.089(2) 172.56
OW5 HW5B Cl2 . .907 2.24 3.140(2) 171.82
OW6 HW6A Cl4 . .841 2.42 3.257(2) 175.68
OW6 HW6B OW8 . .939 1.78 2.715(4) 171.82
OW7 HW7B Cl3 . .808 2.35 3.092(2) 153.35
OW7 HW7A OW9 . .800 1.86 2.661(4) 175.42
OW8 HW8B Cl3 2_556 1.086 2.22 3.300(4) 172.2
OW8 HW8A Cl2 1_455 1.077 2.24 3.294(3) 166.59
OW9 HW9A Cl3 2_656 .880 2.41 3.235(3) 155.8
OW9 HW9B Cl2 . .905 2.39 3.208(3) 149.8
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
OW3 Ni1 N1 C6 -167.33(19)
OW4 Ni1 N1 C6 104.2(2)
N2 Ni1 N1 C6 9.0(2)
OW5 Ni1 N1 C6 -82.1(2)
OW1 Ni1 N1 C6 .8(6)
OW3 Ni1 N1 C2 7.1(3)
OW4 Ni1 N1 C2 -81.4(3)
N2 Ni1 N1 C2 -176.6(3)
OW5 Ni1 N1 C2 92.3(3)
OW1 Ni1 N1 C2 175.2(3)
OW3 Ni1 N2 C7 142.3(7)
OW4 Ni1 N2 C7 -97.2(2)
OW5 Ni1 N2 C7 82.5(2)
N1 Ni1 N2 C7 -7.9(2)
OW1 Ni1 N2 C7 170.4(2)
OW3 Ni1 N2 N3 -32.9(9)
OW4 Ni1 N2 N3 87.7(2)
OW5 Ni1 N2 N3 -92.7(2)
N1 Ni1 N2 N3 176.9(2)
OW1 Ni1 N2 N3 -4.8(2)
C7 N2 N3 C10 .2(4)
Ni1 N2 N3 C10 175.2(2)
C7 N2 N3 Ni2 -174.9(2)
Ni1 N2 N3 Ni2 .0(3)
OW7 Ni2 N3 C10 -118.0(10)
OW6 Ni2 N3 C10 100.1(2)
N4 Ni2 N3 C10 11.2(2)
OW1 Ni2 N3 C10 -170.6(2)
Cl1 Ni2 N3 C10 -82.5(2)
OW7 Ni2 N3 N2 57.3(11)
OW6 Ni2 N3 N2 -84.6(2)
N4 Ni2 N3 N2 -173.5(2)
OW1 Ni2 N3 N2 4.8(2)
Cl1 Ni2 N3 N2 92.8(2)
OW7 Ni2 N4 C15 -9.2(3)
N3 Ni2 N4 C15 175.0(3)
OW6 Ni2 N4 C15 81.3(3)
OW1 Ni2 N4 C15 166.6(3)
Cl1 Ni2 N4 C15 -96.9(3)
OW7 Ni2 N4 C11 160.89(19)
N3 Ni2 N4 C11 -14.87(19)
OW6 Ni2 N4 C11 -108.6(2)
OW1 Ni2 N4 C11 -23.2(5)
Cl1 Ni2 N4 C11 73.25(19)
C6 N1 C2 C3 2.5(4)
Ni1 N1 C2 C3 -171.7(2)
C6 N1 C2 C1 -176.4(3)
Ni1 N1 C2 C1 9.5(5)
N1 C2 C3 C4 -.2(5)
C1 C2 C3 C4 178.6(3)
C2 C3 C4 C5 -1.9(5)
C3 C4 C5 C6 1.6(5)
C2 N1 C6 C5 -2.7(4)
Ni1 N1 C6 C5 172.3(2)
C2 N1 C6 C7 176.1(3)
Ni1 N1 C6 C7 -8.9(3)
C4 C5 C6 N1 .7(5)
C4 C5 C6 C7 -178.0(3)
N3 N2 C7 C8 -.6(4)
Ni1 N2 C7 C8 -175.9(2)
N3 N2 C7 C6 -179.1(2)
Ni1 N2 C7 C6 5.6(3)
N1 C6 C7 N2 2.4(4)
C5 C6 C7 N2 -178.8(3)
N1 C6 C7 C8 -176.0(3)
C5 C6 C7 C8 2.8(5)
N2 C7 C8 C9 .4(5)
C6 C7 C8 C9 178.7(3)
C7 C8 C9 C10 .3(4)
N2 N3 C10 C9 .5(4)
Ni2 N3 C10 C9 176.0(2)
N2 N3 C10 C11 178.7(2)
Ni2 N3 C10 C11 -5.8(3)
C8 C9 C10 N3 -.7(4)
C8 C9 C10 C11 -178.8(3)
C15 N4 C11 C12 6.0(4)
Ni2 N4 C11 C12 -165.3(2)
C15 N4 C11 C10 -172.3(3)
Ni2 N4 C11 C10 16.4(3)
N3 C10 C11 N4 -7.6(4)
C9 C10 C11 N4 170.5(3)
N3 C10 C11 C12 174.1(3)
C9 C10 C11 C12 -7.7(4)
N4 C11 C12 C13 -3.0(5)
C10 C11 C12 C13 175.2(3)
C11 C12 C13 C14 -1.7(5)
C12 C13 C14 C15 3.3(5)
C11 N4 C15 C14 -4.2(4)
Ni2 N4 C15 C14 165.3(2)
C11 N4 C15 C16 173.2(3)
Ni2 N4 C15 C16 -17.3(4)
C13 C14 C15 N4 -.3(5)
C13 C14 C15 C16 -177.7(3)
OW7 Ni2 OW1 Ni1 176.93(10)
N3 Ni2 OW1 Ni1 -7.28(10)
OW6 Ni2 OW1 Ni1 86.29(11)
N4 Ni2 OW1 Ni1 .9(5)
Cl1 Ni2 OW1 Ni1 -96.12(9)
OW3 Ni1 OW1 Ni2 -176.00(10)
OW4 Ni1 OW1 Ni2 -87.78(11)
N2 Ni1 OW1 Ni2 7.33(10)
OW5 Ni1 OW1 Ni2 98.58(10)
N1 Ni1 OW1 Ni2 15.4(5)
