#------------------------------------------------------------------------------
#$Date: 2016-03-23 14:43:16 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179303 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/00/4320048.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4320048
loop_
_publ_author_name
'Bin Du'
'Edward A. Meyers'
'Sheldon G. Shore'
_publ_section_title
;
 Syntheses and Structural Characterizations of Sheet- and Column-like
 Lanthanide-Transition Metal Arrays: The Effect of Hydrogen Bonding on the
 Structure When K+ Is Replaced by [NH4]+
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4353
_journal_page_last               4360
_journal_paper_doi               10.1021/ic0014787
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C29 H49 Eu K N15 Ni2 O7'
_chemical_formula_weight         1028.31
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                105.46(3)
_cell_angle_beta                 98.58(3)
_cell_angle_gamma                98.15(3)
_cell_formula_units_Z            2
_cell_length_a                   8.7980(18)
_cell_length_b                   15.627(3)
_cell_length_c                   17.969(4)
_cell_measurement_temperature    293(2)
_cell_volume                     2311.3(10)
_computing_cell_refinement       'Siemens XSCANS'
_computing_data_collection       'Siemens XSCANS'
_computing_data_reduction        'Siemens SHELXTL'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.944
_diffrn_measured_fraction_theta_max 0.944
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0281
_diffrn_reflns_av_sigmaI/netI    0.0633
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            4480
_diffrn_reflns_theta_full        20.04
_diffrn_reflns_theta_max         20.04
_diffrn_reflns_theta_min         2.08
_exptl_absorpt_coefficient_mu    2.291
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.478
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1044
_refine_diff_density_max         0.725
_refine_diff_density_min         -0.467
_refine_diff_density_rms         0.095
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     502
_refine_ls_number_reflns         4100
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0711
_refine_ls_R_factor_gt           0.0410
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0466P)²+5.7584P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0936
_refine_ls_wR_factor_ref         0.1040
_reflns_number_gt                3221
_reflns_number_total             4100
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0014787_2.cif
_cod_data_source_block           eu
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        2311.3(8)
_cod_database_code               4320048
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu Eu 0.17332(6) 0.83008(3) 0.22416(3) 0.0335(2) Uani 1 1 d . . .
Ni1 Ni 0.0000 1.0000 0.0000 0.0413(5) Uani 1 2 d S . .
Ni2 Ni 0.0000 1.0000 0.5000 0.0440(5) Uani 1 2 d S . .
Ni3 Ni 0.0000 0.5000 0.0000 0.0447(5) Uani 1 2 d S . .
Ni4 Ni 0.5000 0.5000 0.5000 0.0550(6) Uani 1 2 d S . .
K K 0.0586(3) 0.70345(19) 0.61288(16) 0.0733(8) Uani 1 1 d . . .
C1 C 0.0565(12) 0.9388(7) 0.0736(6) 0.042(3) Uani 1 1 d . . .
N1 N 0.0881(10) 0.8996(6) 0.1169(5) 0.051(2) Uani 1 1 d . . .
C2 C 0.1674(16) 1.0949(9) 0.0497(6) 0.062(3) Uani 1 1 d . . .
N2 N 0.2726(15) 1.1536(8) 0.0766(7) 0.097(4) Uani 1 1 d . . .
C3 C 0.0372(12) 0.9390(6) 0.4021(6) 0.043(3) Uani 1 1 d . . .
N3 N 0.0661(11) 0.9022(6) 0.3425(5) 0.055(3) Uani 1 1 d . . .
C4 C 0.0714(15) 0.9134(8) 0.5429(6) 0.063(4) Uani 1 1 d . . .
N4 N 0.1180(15) 0.8601(7) 0.5697(6) 0.087(4) Uani 1 1 d . . .
C5 C 0.0825(12) 0.6163(7) 0.0679(5) 0.040(3) Uani 1 1 d . . .
N5 N 0.1306(10) 0.6865(5) 0.1117(5) 0.050(2) Uani 1 1 d . . .
C6 C 0.1610(16) 0.5083(7) -0.0562(7) 0.055(3) Uani 1 1 d . . .
N6 N 0.2563(13) 0.5140(6) -0.0926(6) 0.072(3) Uani 1 1 d . . .
C7 C 0.3845(16) 0.5811(9) 0.5502(8) 0.069(4) Uani 1 1 d . . .
N7 N 0.3090(15) 0.6287(9) 0.5793(8) 0.102(4) Uani 1 1 d . . .
C8 C 0.3385(18) 0.4050(10) 0.4877(8) 0.086(4) Uani 1 1 d . . .
N8 N 0.2368(18) 0.3479(10) 0.4798(9) 0.135(6) Uani 1 1 d . . .
O1 O -0.1050(9) 0.7822(4) 0.1848(4) 0.0509(19) Uani 1 1 d . . .
C11 C -0.1975(15) 0.7545(7) 0.1202(7) 0.053(3) Uani 1 1 d . . .
H11 H -0.1658 0.7711 0.0781 0.063 Uiso 1 1 calc R . .
N10 N -0.3349(12) 0.7041(6) 0.1072(6) 0.064(3) Uani 1 1 d . . .
C12 C -0.4321(17) 0.6723(10) 0.0289(9) 0.124(6) Uani 1 1 d . . .
H121 H -0.5290 0.6362 0.0302 0.186 Uiso 1 1 calc R . .
H122 H -0.3784 0.6365 -0.0068 0.186 Uiso 1 1 calc R . .
H123 H -0.4532 0.7232 0.0115 0.186 Uiso 1 1 calc R . .
C13 C -0.3920(15) 0.6748(8) 0.1692(9) 0.087(4) Uani 1 1 d . . .
H131 H -0.4950 0.6384 0.1490 0.130 Uiso 1 1 calc R . .
H132 H -0.3963 0.7266 0.2113 0.130 Uiso 1 1 calc R . .
H133 H -0.3228 0.6398 0.1885 0.130 Uiso 1 1 calc R . .
O2 O 0.3972(10) 0.8439(5) 0.1669(4) 0.054(2) Uani 1 1 d . . .
C21 C 0.5309(17) 0.8865(8) 0.1971(7) 0.062(3) Uani 1 1 d . . .
H21 H 0.5752 0.8776 0.2441 0.074 Uiso 1 1 calc R . .
N20 N 0.6190(13) 0.9431(7) 0.1711(7) 0.067(3) Uani 1 1 d . . .
C22 C 0.7755(16) 0.9865(9) 0.2105(11) 0.116(6) Uani 1 1 d . . .
H221 H 0.8186 1.0248 0.1820 0.174 Uiso 1 1 calc R . .
H222 H 0.8384 0.9416 0.2131 0.174 Uiso 1 1 calc R . .
H223 H 0.7745 1.0224 0.2629 0.174 Uiso 1 1 calc R . .
C23 C 0.554(2) 0.9613(11) 0.1006(9) 0.131(7) Uani 1 1 d . . .
H231 H 0.6299 1.0033 0.0883 0.196 Uiso 1 1 calc R . .
H232 H 0.4623 0.9869 0.1079 0.196 Uiso 1 1 calc R . .
H233 H 0.5260 0.9061 0.0581 0.196 Uiso 1 1 calc R . .
O3 O 0.1182(9) 0.7095(5) 0.2802(4) 0.059(2) Uani 1 1 d . . .
C31 C 0.0098(16) 0.6454(8) 0.2685(6) 0.057(3) Uani 1 1 d . . .
H31 H -0.0461 0.6183 0.2173 0.069 Uiso 1 1 calc R . .
N30 N -0.0298(13) 0.6139(6) 0.3232(6) 0.072(3) Uani 1 1 d . . .
C32 C -0.1628(19) 0.5407(11) 0.3072(9) 0.118(6) Uani 1 1 d . . .
H321 H -0.1743 0.5263 0.3550 0.176 Uiso 1 1 calc R . .
H322 H -0.1461 0.4883 0.2693 0.176 Uiso 1 1 calc R . .
H323 H -0.2561 0.5589 0.2867 0.176 Uiso 1 1 calc R . .
C33 C 0.052(2) 0.6544(11) 0.4047(8) 0.145(8) Uani 1 1 d . . .
H331 H 0.0077 0.6225 0.4375 0.217 Uiso 1 1 calc R . .
H332 H 0.0427 0.7167 0.4219 0.217 Uiso 1 1 calc R . .
H333 H 0.1612 0.6506 0.4084 0.217 Uiso 1 1 calc R . .
O4 O 0.2903(10) 0.9868(5) 0.2696(4) 0.062(2) Uani 1 1 d . . .
C41 C 0.2520(16) 1.0598(10) 0.2758(6) 0.071(4) Uani 1 1 d . . .
H41 H 0.1460 1.0601 0.2745 0.086 Uiso 1 1 calc R . .
N40 N 0.3377(13) 1.1363(6) 0.2840(5) 0.054(3) Uani 1 1 d . . .
C42 C 0.281(2) 1.2190(9) 0.2860(8) 0.121(6) Uani 1 1 d . . .
H421 H 0.3680 1.2669 0.2926 0.181 Uiso 1 1 calc R . .
H422 H 0.2277 1.2342 0.3292 0.181 Uiso 1 1 calc R . .
H423 H 0.2101 1.2109 0.2375 0.181 Uiso 1 1 calc R . .
C43 C 0.500(2) 1.1409(9) 0.2848(10) 0.110(6) Uani 1 1 d . . .
H431 H 0.5488 1.2021 0.2913 0.165 Uiso 1 1 calc R . .
H432 H 0.5147 1.1025 0.2359 0.165 Uiso 1 1 calc R . .
H433 H 0.5468 1.1213 0.3276 0.165 Uiso 1 1 calc R . .
O5 O 0.3915(9) 0.8382(5) 0.3237(5) 0.069(2) Uani 1 1 d . . .
C51 C 0.4047(18) 0.8418(11) 0.3926(10) 0.108(6) Uani 1 1 d . . .
H51 H 0.3164 0.8522 0.4136 0.130 Uiso 1 1 calc R . .
N50 N 0.5175(15) 0.8338(8) 0.4404(6) 0.085(4) Uani 1 1 d . . .
C52 C 0.529(2) 0.8421(15) 0.5235(9) 0.178(9) Uani 1 1 d . . .
H521 H 0.6300 0.8324 0.5445 0.267 Uiso 1 1 calc R . .
H522 H 0.4488 0.7979 0.5300 0.267 Uiso 1 1 calc R . .
H523 H 0.5162 0.9016 0.5509 0.267 Uiso 1 1 calc R . .
C53 C 0.650(3) 0.8161(16) 0.4119(12) 0.184(10) Uani 1 1 d . . .
H531 H 0.7280 0.8114 0.4535 0.276 Uiso 1 1 calc R . .
H532 H 0.6907 0.8642 0.3922 0.276 Uiso 1 1 calc R . .
H533 H 0.6250 0.7602 0.3701 0.276 Uiso 1 1 calc R . .
O6 O 0.1346(13) 0.7919(7) 0.7586(6) 0.115(4) Uani 1 1 d . . .
C61 C 0.125(2) 0.7905(10) 0.8249(10) 0.100(5) Uani 1 1 d . . .
H61 H 0.0480 0.8170 0.8472 0.120 Uiso 1 1 calc R . .
N60 N 0.2154(15) 0.7544(7) 0.8674(6) 0.079(3) Uani 1 1 d . . .
C62 C 0.3360(17) 0.7090(11) 0.8386(9) 0.103(5) Uani 1 1 d . . .
H621 H 0.3884 0.6875 0.8788 0.154 Uiso 1 1 calc R . .
H622 H 0.4102 0.7505 0.8249 0.154 Uiso 1 1 calc R . .
H623 H 0.2897 0.6588 0.7930 0.154 Uiso 1 1 calc R . .
C63 C 0.195(3) 0.7568(11) 0.9460(8) 0.163(9) Uani 1 1 d . . .
H631 H 0.2705 0.7273 0.9685 0.245 Uiso 1 1 calc R . .
H632 H 0.0914 0.7260 0.9440 0.245 Uiso 1 1 calc R . .
H633 H 0.2098 0.8185 0.9777 0.245 Uiso 1 1 calc R . .
O7 O -0.0905(18) 0.5983(9) 0.6943(8) 0.156(5) Uani 1 1 d . . .
C71 C -0.200(4) 0.5546(19) 0.704(3) 0.31(3) Uani 1 1 d . . .
H71 H -0.2598 0.5229 0.6546 0.369 Uiso 1 1 calc R . .
N70 N -0.269(2) 0.5332(14) 0.7517(14) 0.159(8) Uani 1 1 d . . .
C72 C -0.218(5) 0.560(3) 0.8286(16) 0.38(3) Uani 1 1 d . . .
H72A H -0.2941 0.5346 0.8537 0.570 Uiso 1 1 calc R . .
H72B H -0.2006 0.6248 0.8475 0.570 Uiso 1 1 calc R . .
H72C H -0.1212 0.5400 0.8406 0.570 Uiso 1 1 calc R . .
C73 C -0.404(3) 0.464(3) 0.7237(19) 0.33(2) Uani 1 1 d . . .
H73A H -0.4468 0.4544 0.7674 0.491 Uiso 1 1 calc R . .
H73B H -0.3764 0.4097 0.6947 0.491 Uiso 1 1 calc R . .
H73C H -0.4802 0.4825 0.6899 0.491 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Eu O5 73.8(3) . . ?
O2 Eu O4 74.1(3) . . ?
O5 Eu O4 76.2(3) . . ?
O2 Eu O3 119.8(3) . . ?
O5 Eu O3 71.0(3) . . ?
O4 Eu O3 137.4(2) . . ?
O2 Eu O1 139.5(2) . . ?
O5 Eu O1 143.2(3) . . ?
O4 Eu O1 120.9(3) . . ?
O3 Eu O1 76.4(2) . . ?
O2 Eu N3 141.9(3) . . ?
O5 Eu N3 81.5(3) . . ?
O4 Eu N3 72.1(3) . . ?
O3 Eu N3 76.9(3) . . ?
O1 Eu N3 74.9(3) . . ?
O2 Eu N1 77.2(3) . . ?
O5 Eu N1 141.8(3) . . ?
O4 Eu N1 72.4(3) . . ?
O3 Eu N1 146.7(3) . . ?
O1 Eu N1 73.5(3) . . ?
N3 Eu N1 108.1(3) . . ?
O2 Eu N5 75.2(3) . . ?
O5 Eu N5 111.3(3) . . ?
O4 Eu N5 144.6(3) . . ?
O3 Eu N5 74.4(2) . . ?
O1 Eu N5 74.6(3) . . ?
N3 Eu N5 142.0(3) . . ?
N1 Eu N5 84.1(3) . . ?
C2 Ni1 C2 180.000(2) . 2_575 ?
C2 Ni1 C1 91.0(4) . . ?
C2 Ni1 C1 89.0(4) 2_575 . ?
C2 Ni1 C1 89.0(4) . 2_575 ?
C2 Ni1 C1 91.0(4) 2_575 2_575 ?
C1 Ni1 C1 180.0(4) . 2_575 ?
C4 Ni2 C4 180.000(6) . 2_576 ?
C4 Ni2 C3 89.6(4) . 2_576 ?
C4 Ni2 C3 90.4(4) 2_576 2_576 ?
C4 Ni2 C3 90.4(4) . . ?
C4 Ni2 C3 89.6(4) 2_576 . ?
C3 Ni2 C3 180.000(4) 2_576 . ?
C6 Ni3 C6 180.0(8) 2_565 . ?
C6 Ni3 C5 89.2(4) 2_565 . ?
C6 Ni3 C5 90.8(4) . . ?
C6 Ni3 C5 90.8(4) 2_565 2_565 ?
C6 Ni3 C5 89.2(4) . 2_565 ?
C5 Ni3 C5 180.0(5) . 2_565 ?
C8 Ni4 C8 180.0(11) . 2_666 ?
C8 Ni4 C7 89.9(6) . 2_666 ?
C8 Ni4 C7 90.1(6) 2_666 2_666 ?
C8 Ni4 C7 90.1(6) . . ?
C8 Ni4 C7 89.9(6) 2_666 . ?
C7 Ni4 C7 180.0(8) 2_666 . ?
O6 K N7 105.2(4) . . ?
O6 K N8 127.4(4) . 2_566 ?
N7 K N8 125.2(4) . 2_566 ?
O6 K N4 91.5(3) . . ?
N7 K N4 101.3(4) . . ?
N8 K N4 92.4(4) 2_566 . ?
O6 K O7 73.1(4) . . ?
N7 K O7 105.1(4) . . ?
N8 K O7 79.8(5) 2_566 . ?
N4 K O7 152.1(4) . . ?
N1 C1 Ni1 178.2(9) . . ?
C1 N1 Eu 173.4(8) . . ?
N2 C2 Ni1 176.3(11) . . ?
N3 C3 Ni2 177.5(10) . . ?
C3 N3 Eu 170.9(9) . . ?
N4 C4 Ni2 179.0(13) . . ?
C4 N4 K 149.2(11) . . ?
N5 C5 Ni3 177.3(9) . . ?
C5 N5 Eu 164.4(8) . . ?
N6 C6 Ni3 177.7(12) . . ?
N7 C7 Ni4 177.6(14) . . ?
C7 N7 K 161.9(12) . . ?
N8 C8 Ni4 178.3(17) . . ?
C8 N8 K 133.4(15) . 2_566 ?
C11 O1 Eu 134.2(7) . . ?
O1 C11 N10 124.9(11) . . ?
C11 N10 C13 121.0(11) . . ?
C11 N10 C12 120.8(12) . . ?
C13 N10 C12 118.2(11) . . ?
C21 O2 Eu 129.6(7) . . ?
O2 C21 N20 128.2(12) . . ?
C21 N20 C23 118.0(12) . . ?
C21 N20 C22 122.9(13) . . ?
C23 N20 C22 119.1(12) . . ?
C31 O3 Eu 135.8(7) . . ?
O3 C31 N30 123.3(11) . . ?
C31 N30 C32 121.4(11) . . ?
C31 N30 C33 120.7(11) . . ?
C32 N30 C33 117.8(11) . . ?
C41 O4 Eu 139.0(9) . . ?
O4 C41 N40 128.8(14) . . ?
C41 N40 C43 118.9(11) . . ?
C41 N40 C42 125.3(14) . . ?
C43 N40 C42 115.6(12) . . ?
C51 O5 Eu 133.1(10) . . ?
O5 C51 N50 130.9(16) . . ?
C51 N50 C53 117.1(14) . . ?
C51 N50 C52 128.6(16) . . ?
C53 N50 C52 114.3(14) . . ?
C61 O6 K 145.3(11) . . ?
O6 C61 N60 124.8(16) . . ?
C61 N60 C63 120.4(14) . . ?
C61 N60 C62 122.8(12) . . ?
C63 N60 C62 116.8(13) . . ?
C71 O7 K 152(2) . . ?
O7 C71 N70 146(5) . . ?
C71 N70 C72 125(3) . . ?
C71 N70 C73 118(3) . . ?
C72 N70 C73 116(3) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu O2 2.364(8) . ?
Eu O5 2.385(8) . ?
Eu O4 2.387(8) . ?
Eu O3 2.387(7) . ?
Eu O1 2.395(7) . ?
Eu N3 2.511(9) . ?
Eu N1 2.524(9) . ?
Eu N5 2.525(8) . ?
Ni1 C2 1.857(13) . ?
Ni1 C2 1.857(13) 2_575 ?
Ni1 C1 1.877(12) . ?
Ni1 C1 1.877(12) 2_575 ?
Ni2 C4 1.864(13) . ?
Ni2 C4 1.864(13) 2_576 ?
Ni2 C3 1.865(11) 2_576 ?
Ni2 C3 1.865(11) . ?
Ni3 C6 1.867(14) 2_565 ?
Ni3 C6 1.867(14) . ?
Ni3 C5 1.870(11) . ?
Ni3 C5 1.870(11) 2_565 ?
Ni4 C8 1.845(16) . ?
Ni4 C8 1.845(16) 2_666 ?
Ni4 C7 1.865(14) 2_666 ?
Ni4 C7 1.865(14) . ?
K O6 2.549(11) . ?
K N7 2.708(13) . ?
K N8 2.753(17) 2_566 ?
K N4 2.764(11) . ?
K O7 2.793(14) . ?
C1 N1 1.138(11) . ?
C2 N2 1.149(13) . ?
C3 N3 1.156(12) . ?
C4 N4 1.159(13) . ?
C5 N5 1.144(11) . ?
C6 N6 1.146(13) . ?
C7 N7 1.142(14) . ?
C8 N8 1.133(15) . ?
N8 K 2.753(16) 2_566 ?
O1 C11 1.244(12) . ?
C11 N10 1.298(13) . ?
N10 C13 1.441(15) . ?
N10 C12 1.451(15) . ?
O2 C21 1.231(13) . ?
C21 N20 1.316(14) . ?
N20 C23 1.427(17) . ?
N20 C22 1.431(16) . ?
O3 C31 1.231(12) . ?
C31 N30 1.281(13) . ?
N30 C32 1.452(16) . ?
N30 C33 1.459(16) . ?
O4 C41 1.216(15) . ?
C41 N40 1.278(14) . ?
N40 C43 1.418(16) . ?
N40 C42 1.444(14) . ?
O5 C51 1.210(15) . ?
C51 N50 1.255(16) . ?
N50 C53 1.38(2) . ?
N50 C52 1.451(17) . ?
O6 C61 1.214(16) . ?
C61 N60 1.307(17) . ?
N60 C63 1.440(17) . ?
N60 C62 1.441(16) . ?
O7 C71 1.17(3) . ?
C71 N70 1.21(4) . ?
N70 C72 1.32(3) . ?
N70 C73 1.41(3) . ?
