#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:03:25 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179949 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/44/7024455.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_7024455
loop_
_publ_author_name
'Clegg, William'
'Conway, Ben'
'García-Alvarez, Pablo'
'Kennedy, Alan R.'
'Klett, Jan'
'Mulvey, Robert E.'
'Russo, Luca'
_publ_section_title
;
 Potassium-mediated zincation of ferrocene and ruthenocene: potassium, the
 architect behind supramolecular structural variations.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              62
_journal_page_last               65
_journal_paper_doi               10.1039/b917202p
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C42 H76 K2 N6 Ru2 Zn2'
_chemical_formula_sum            'C42 H76 K2 N6 Ru2 Zn2'
_chemical_formula_weight         1076.17
_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                114.673(4)
_cell_angle_beta                 95.400(3)
_cell_angle_gamma                99.969(3)
_cell_formula_units_Z            1
_cell_length_a                   8.8165(3)
_cell_length_b                   11.9380(4)
_cell_length_c                   12.9284(5)
_cell_measurement_reflns_used    14400
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      30.35
_cell_measurement_theta_min      2.68
_cell_volume                     1196.61(9)
_computing_cell_refinement       CrysAlisPro
_computing_data_collection       CrysAlisPro
_computing_data_reduction        CrysAlisPro
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.929
_diffrn_measurement_device_type  'Oxford Diffraction Gemini S'
_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  0.0246
_diffrn_reflns_av_sigmaI/netI    0.0276
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            21909
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         30.45
_diffrn_reflns_theta_min         2.69
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.817
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.848
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.24 (release 21-04-2008 CrysAlis171 .NET)
(compiled Apr 21 2008,18:23:10)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.493
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chip
_exptl_crystal_F_000             556
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.393
_refine_diff_density_min         -0.545
_refine_diff_density_rms         0.064
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.990
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     284
_refine_ls_number_reflns         6756
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.990
_refine_ls_R_factor_all          0.0289
_refine_ls_R_factor_gt           0.0213
_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)+(0.0269P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0472
_refine_ls_wR_factor_ref         0.0485
_reflns_number_gt                5759
_reflns_number_total             6756
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b917202p.txt
_cod_data_source_block           jkben4
_cod_original_cell_volume        1196.61(7)
_cod_database_code               7024455
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
K1 K 1.02823(3) 0.71798(3) 0.13700(3) 0.01918(7) Uani 1 1 d .
Ru1 Ru 1.278091(12) 0.520738(10) -0.348877(10) 0.01534(4) Uani 1 1 d .
Zn1 Zn 1.086532(19) 0.556942(16) -0.143984(14) 0.01929(4) Uani 1 1 d .
N6 N 1.29409(13) 0.78938(12) 0.31277(11) 0.0203(3) Uani 1 1 d .
N5 N 1.24100(14) 0.96571(12) 0.20846(11) 0.0219(3) Uani 1 1 d .
C61 C 1.41910(16) 0.87725(15) 0.29874(14) 0.0245(3) Uani 1 1 d .
H61A H 1.4523 0.8318 0.2242 0.029 Uiso 1 1 calc R
H61B H 1.5104 0.9038 0.3615 0.029 Uiso 1 1 calc R
N4 N 0.89060(15) 0.92764(12) 0.18835(12) 0.0254(3) Uani 1 1 d .
C18 C 1.08819(15) 0.41644(13) -0.30017(12) 0.0181(3) Uani 1 1 d .
C15 C 1.12308(16) 0.35617(14) -0.49328(13) 0.0205(3) Uani 1 1 d .
H15A H 1.1093 0.3446 -0.5711 0.025 Uiso 1 1 calc R
C63 C 1.24691(19) 0.84756(17) 0.42486(14) 0.0308(4) Uani 1 1 d .
H63A H 1.2032 0.9194 0.4299 0.046 Uiso 1 1 calc R
H63B H 1.3384 0.8775 0.4869 0.046 Uiso 1 1 calc R
H63C H 1.1675 0.7848 0.4330 0.046 Uiso 1 1 calc R
C17 C 1.21394(16) 0.35173(13) -0.32328(13) 0.0194(3) Uani 1 1 d .
H17A H 1.2741 0.3355 -0.2683 0.023 Uiso 1 1 calc R
C3 C 1.2373(2) 0.55650(18) -0.01490(15) 0.0279(4) Uani 1 1 d .
C19 C 1.03437(15) 0.41769(14) -0.40837(13) 0.0187(3) Uani 1 1 d .
H19A H 0.9515 0.4543 -0.4214 0.022 Uiso 1 1 calc R
C52 C 1.37317(17) 0.99478(15) 0.30085(14) 0.0264(3) Uani 1 1 d .
H52A H 1.3449 1.0427 0.3768 0.032 Uiso 1 1 calc R
H52B H 1.4647 1.0498 0.2929 0.032 Uiso 1 1 calc R
C62 C 1.34903(18) 0.67686(16) 0.30327(15) 0.0284(4) Uani 1 1 d .
H62A H 1.3809 0.6369 0.2282 0.043 Uiso 1 1 calc R
H62B H 1.2642 0.6165 0.3097 0.043 Uiso 1 1 calc R
H62C H 1.4387 0.7020 0.3656 0.043 Uiso 1 1 calc R
C2 C 0.93864(19) 0.67181(16) -0.13002(15) 0.0262(3) Uani 1 1 d .
C41 C 0.99250(19) 1.02763(16) 0.17283(15) 0.0291(4) Uani 1 1 d .
H41A H 0.9458 1.1023 0.1971 0.035 Uiso 1 1 calc R
H41B H 0.9959 0.9974 0.0894 0.035 Uiso 1 1 calc R
C16 C 1.23567(16) 0.31543(13) -0.43984(13) 0.0210(3) Uani 1 1 d .
H16A H 1.3114 0.2721 -0.4752 0.025 Uiso 1 1 calc R
C51 C 1.15818(19) 1.06884(15) 0.23951(16) 0.0292(4) Uani 1 1 d .
H51A H 1.2177 1.1376 0.2252 0.035 Uiso 1 1 calc R
H51B H 1.1556 1.1038 0.3234 0.035 Uiso 1 1 calc R
C53 C 1.2972(2) 0.94271(18) 0.10003(15) 0.0288(4) Uani 1 1 d .
C12 C 1.3511(2) 0.71908(15) -0.22218(15) 0.0327(4) Uani 1 1 d .
H12A H 1.3007 0.7561 -0.1586 0.039 Uiso 1 1 calc R
C11 C 1.4782(2) 0.66151(17) -0.22241(17) 0.0380(5) Uani 1 1 d .
H11A H 1.5280 0.6525 -0.1588 0.046 Uiso 1 1 calc R
C43 C 0.8642(2) 0.97020(18) 0.30697(16) 0.0372(4) Uani 1 1 d .
H43A H 0.9645 0.9947 0.3596 0.056 Uiso 1 1 calc R
H43B H 0.7937 0.9013 0.3134 0.056 Uiso 1 1 calc R
H43C H 0.8168 1.0433 0.3278 0.056 Uiso 1 1 calc R
C42 C 0.7395(2) 0.88705(19) 0.10980(18) 0.0409(5) Uani 1 1 d .
H42A H 0.6741 0.8144 0.1141 0.061 Uiso 1 1 calc R
H42B H 0.7570 0.8625 0.0303 0.061 Uiso 1 1 calc R
H42C H 0.6864 0.9571 0.1326 0.061 Uiso 1 1 calc R
C10 C 1.51826(19) 0.62007(17) -0.33232(19) 0.0425(5) Uani 1 1 d .
H10A H 1.6002 0.5784 -0.3562 0.051 Uiso 1 1 calc R
C13 C 1.3125(2) 0.71165(16) -0.33362(17) 0.0343(4) Uani 1 1 d .
H13A H 1.2309 0.7423 -0.3586 0.041 Uiso 1 1 calc R
C14 C 1.4163(2) 0.65080(17) -0.40119(16) 0.0401(5) Uani 1 1 d .
H14A H 1.4173 0.6335 -0.4798 0.048 Uiso 1 1 calc R
H2A H 0.905(2) 0.6703(19) -0.2017(19) 0.046(6) Uiso 1 1 d .
H2B H 0.841(2) 0.6421(19) -0.1103(18) 0.043(6) Uiso 1 1 d .
H2C H 0.982(2) 0.7623(18) -0.0736(17) 0.039(5) Uiso 1 1 d .
H3A H 1.302(2) 0.509(2) -0.0420(19) 0.050(6) Uiso 1 1 d .
H3B H 1.198(2) 0.5254(18) 0.0349(18) 0.043(6) Uiso 1 1 d .
H3C H 1.308(2) 0.6414(19) 0.0342(17) 0.037(5) Uiso 1 1 d .
H53A H 1.347(2) 0.8736(17) 0.0756(16) 0.033(5) Uiso 1 1 d .
H53B H 1.375(2) 1.0181(17) 0.1062(15) 0.033(5) Uiso 1 1 d .
H53C H 1.211(2) 0.9205(16) 0.0395(15) 0.027(5) Uiso 1 1 d .
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'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 '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
N4 K1 N6 108.40(4) . .
N4 K1 N5 63.08(4) . .
N6 K1 N5 62.84(4) . .
N4 K1 C3 146.16(5) . .
N6 K1 C3 81.62(4) . .
N5 K1 C3 96.41(5) . .
N4 K1 C2 84.21(4) . .
N6 K1 C2 140.58(4) . .
N5 K1 C2 93.40(4) . .
C3 K1 C2 69.70(4) . .
N4 K1 C18 107.05(4) . 2_765
N6 K1 C18 75.40(3) . 2_765
N5 K1 C18 128.23(4) . 2_765
C3 K1 C18 106.75(4) . 2_765
C2 K1 C18 137.85(4) . 2_765
N4 K1 C3 112.26(4) . 2_765
N6 K1 C3 126.94(4) . 2_765
N5 K1 C3 169.76(4) . 2_765
C3 K1 C3 83.07(5) . 2_765
C2 K1 C3 76.80(4) . 2_765
C18 K1 C3 61.24(4) 2_765 2_765
N4 K1 C53 74.63(4) . .
N6 K1 C53 75.11(4) . .
N5 K1 C53 24.50(4) . .
C3 K1 C53 77.18(5) . .
C2 K1 C53 72.64(4) . .
C18 K1 C53 149.26(4) 2_765 .
C3 K1 C53 147.82(4) 2_765 .
N4 K1 H2C 71.2(4) . .
N6 K1 H2C 132.2(4) . .
N5 K1 H2C 76.9(4) . .
C3 K1 H2C 78.2(4) . .
C2 K1 H2C 17.7(4) . .
C18 K1 H2C 152.2(4) 2_765 .
C3 K1 H2C 93.0(4) 2_765 .
C53 K1 H2C 58.3(4) . .
N4 K1 H3B 163.4(4) . .
N6 K1 H3B 76.7(4) . .
N5 K1 H3B 108.0(4) . .
C3 K1 H3B 17.3(4) . .
C2 K1 H3B 82.4(4) . .
C18 K1 H3B 89.5(4) 2_765 .
C3 K1 H3B 74.0(4) 2_765 .
C53 K1 H3B 92.0(4) . .
H2C K1 H3B 93.5(5) . .
N4 K1 H3C 135.6(4) . .
N6 K1 H3C 68.8(4) . .
N5 K1 H3C 78.6(4) . .
C3 K1 H3C 18.6(4) . .
C2 K1 H3C 76.2(4) . .
C18 K1 H3C 114.2(3) 2_765 .
C3 K1 H3C 101.5(4) 2_765 .
C53 K1 H3C 61.7(4) . .
H2C K1 H3C 79.3(5) . .
H3B K1 H3C 30.4(5) . .
C17 Ru1 C13 164.30(7) . .
C17 Ru1 C19 63.20(5) . .
C13 Ru1 C19 112.51(6) . .
C17 Ru1 C16 38.36(6) . .
C13 Ru1 C16 155.70(7) . .
C19 Ru1 C16 63.87(5) . .
C17 Ru1 C14 156.60(7) . .
C13 Ru1 C14 37.81(7) . .
C19 Ru1 C14 130.58(7) . .
C16 Ru1 C14 124.35(7) . .
C17 Ru1 C12 129.84(6) . .
C13 Ru1 C12 37.89(7) . .
C19 Ru1 C12 122.80(6) . .
C16 Ru1 C12 165.31(6) . .
C14 Ru1 C12 63.13(7) . .
C17 Ru1 C15 63.69(6) . .
C13 Ru1 C15 123.45(6) . .
C19 Ru1 C15 38.40(5) . .
C16 Ru1 C15 38.11(5) . .
C14 Ru1 C15 113.51(6) . .
C12 Ru1 C15 155.05(6) . .
C17 Ru1 C11 113.59(6) . .
C13 Ru1 C11 63.19(7) . .
C19 Ru1 C11 154.84(7) . .
C16 Ru1 C11 130.79(6) . .
C14 Ru1 C11 62.82(7) . .
C12 Ru1 C11 37.84(7) . .
C15 Ru1 C11 165.69(7) . .
C17 Ru1 C10 124.81(7) . .
C13 Ru1 C10 63.09(7) . .
C19 Ru1 C10 165.87(7) . .
C16 Ru1 C10 114.02(6) . .
C14 Ru1 C10 37.58(8) . .
C12 Ru1 C10 62.99(7) . .
C15 Ru1 C10 131.06(7) . .
C11 Ru1 C10 37.40(8) . .
C17 Ru1 C18 38.48(5) . .
C13 Ru1 C18 128.46(6) . .
C19 Ru1 C18 38.42(5) . .
C16 Ru1 C18 65.17(5) . .
C14 Ru1 C18 164.28(7) . .
C12 Ru1 C18 110.96(6) . .
C15 Ru1 C18 65.07(5) . .
C11 Ru1 C18 122.53(7) . .
C10 Ru1 C18 155.17(7) . .
C2 Zn1 C18 119.91(6) . .
C2 Zn1 C3 128.00(7) . .
C18 Zn1 C3 112.02(7) . .
C63 N6 C61 111.68(12) . .
C63 N6 C62 108.80(13) . .
C61 N6 C62 109.34(12) . .
C63 N6 K1 108.05(9) . .
C61 N6 K1 108.95(8) . .
C62 N6 K1 110.00(8) . .
C53 N5 C52 109.83(13) . .
C53 N5 C51 110.42(13) . .
C52 N5 C51 111.24(13) . .
C53 N5 K1 99.37(9) . .
C52 N5 K1 113.05(9) . .
C51 N5 K1 112.33(9) . .
N6 C61 C52 114.22(12) . .
N6 C61 H61A 108.7 . .
C52 C61 H61A 108.7 . .
N6 C61 H61B 108.7 . .
C52 C61 H61B 108.7 . .
H61A C61 H61B 107.6 . .
C43 N4 C41 111.98(14) . .
C43 N4 C42 109.14(13) . .
C41 N4 C42 108.92(14) . .
C43 N4 K1 107.32(10) . .
C41 N4 K1 110.19(9) . .
C42 N4 K1 109.26(10) . .
C19 C18 C17 103.99(12) . .
C19 C18 Zn1 123.34(11) . .
C17 C18 Zn1 123.08(10) . .
C19 C18 Ru1 69.29(8) . .
C17 C18 Ru1 69.19(8) . .
Zn1 C18 Ru1 97.97(6) . .
C19 C18 K1 139.80(9) . 2_765
C17 C18 K1 91.54(9) . 2_765
Zn1 C18 K1 72.86(4) . 2_765
Ru1 C18 K1 149.99(6) . 2_765
C16 C15 C19 107.42(13) . .
C16 C15 Ru1 70.79(8) . .
C19 C15 Ru1 70.49(8) . .
C16 C15 H15A 126.3 . .
C19 C15 H15A 126.3 . .
Ru1 C15 H15A 124.1 . .
N6 C63 H63A 109.5 . .
N6 C63 H63B 109.5 . .
H63A C63 H63B 109.5 . .
N6 C63 H63C 109.5 . .
H63A C63 H63C 109.5 . .
H63B C63 H63C 109.5 . .
C16 C17 C18 110.75(12) . .
C16 C17 Ru1 71.05(8) . .
C18 C17 Ru1 72.33(8) . .
C16 C17 H17A 124.6 . .
C18 C17 H17A 124.6 . .
Ru1 C17 H17A 123.6 . .
Zn1 C3 K1 81.64(6) . .
Zn1 C3 K1 71.62(5) . 2_765
K1 C3 K1 96.93(5) . 2_765
Zn1 C3 H3A 111.8(14) . .
K1 C3 H3A 165.7(14) . .
K1 C3 H3A 83.4(14) 2_765 .
Zn1 C3 H3B 119.7(12) . .
K1 C3 H3B 66.9(12) . .
K1 C3 H3B 63.4(12) 2_765 .
H3A C3 H3B 100.9(18) . .
Zn1 C3 H3C 112.3(10) . .
K1 C3 H3C 74.7(11) . .
K1 C3 H3C 169.7(11) 2_765 .
H3A C3 H3C 103.3(17) . .
H3B C3 H3C 107.1(16) . .
C15 C19 C18 110.54(13) . .
C15 C19 Ru1 71.10(8) . .
C18 C19 Ru1 72.29(7) . .
C15 C19 H19A 124.7 . .
C18 C19 H19A 124.7 . .
Ru1 C19 H19A 123.5 . .
N5 C52 C61 113.05(12) . .
N5 C52 H52A 109.0 . .
C61 C52 H52A 109.0 . .
N5 C52 H52B 109.0 . .
C61 C52 H52B 109.0 . .
H52A C52 H52B 107.8 . .
N6 C62 H62A 109.5 . .
N6 C62 H62B 109.5 . .
H62A C62 H62B 109.5 . .
N6 C62 H62C 109.5 . .
H62A C62 H62C 109.5 . .
H62B C62 H62C 109.5 . .
Zn1 C2 K1 78.39(5) . .
Zn1 C2 H2A 111.2(13) . .
K1 C2 H2A 170.2(13) . .
Zn1 C2 H2B 112.0(11) . .
K1 C2 H2B 74.5(12) . .
H2A C2 H2B 102.5(16) . .
Zn1 C2 H2C 115.2(10) . .
K1 C2 H2C 65.8(11) . .
H2A C2 H2C 107.1(16) . .
H2B C2 H2C 107.8(16) . .
N4 C41 C51 114.50(13) . .
N4 C41 H41A 108.6 . .
C51 C41 H41A 108.6 . .
N4 C41 H41B 108.6 . .
C51 C41 H41B 108.6 . .
H41A C41 H41B 107.6 . .
C15 C16 C17 107.30(13) . .
C15 C16 Ru1 71.10(8) . .
C17 C16 Ru1 70.60(8) . .
C15 C16 H16A 126.4 . .
C17 C16 H16A 126.4 . .
Ru1 C16 H16A 123.6 . .
N5 C51 C41 113.50(13) . .
N5 C51 H51A 108.9 . .
C41 C51 H51A 108.9 . .
N5 C51 H51B 108.9 . .
C41 C51 H51B 108.9 . .
H51A C51 H51B 107.7 . .
N5 C53 K1 56.14(8) . .
N5 C53 H53A 112.5(11) . .
K1 C53 H53A 79.6(11) . .
N5 C53 H53B 112.4(10) . .
K1 C53 H53B 168.5(10) . .
H53A C53 H53B 106.5(15) . .
N5 C53 H53C 109.8(11) . .
K1 C53 H53C 77.5(10) . .
H53A C53 H53C 106.2(15) . .
H53B C53 H53C 109.2(14) . .
C13 C12 C11 107.55(16) . .
C13 C12 Ru1 70.70(9) . .
C11 C12 Ru1 71.15(9) . .
C13 C12 H12A 126.2 . .
C11 C12 H12A 126.2 . .
Ru1 C12 H12A 123.6 . .
C10 C11 C12 108.27(16) . .
C10 C11 Ru1 71.49(10) . .
C12 C11 Ru1 71.01(9) . .
C10 C11 H11A 125.9 . .
C12 C11 H11A 125.9 . .
Ru1 C11 H11A 123.3 . .
N4 C43 H43A 109.5 . .
N4 C43 H43B 109.5 . .
H43A C43 H43B 109.5 . .
N4 C43 H43C 109.5 . .
H43A C43 H43C 109.5 . .
H43B C43 H43C 109.5 . .
N4 C42 H42A 109.5 . .
N4 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
N4 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
C11 C10 C14 108.11(16) . .
C11 C10 Ru1 71.11(9) . .
C14 C10 Ru1 70.87(9) . .
C11 C10 H10A 125.9 . .
C14 C10 H10A 125.9 . .
Ru1 C10 H10A 123.7 . .
C14 C13 C12 107.90(16) . .
C14 C13 Ru1 71.37(10) . .
C12 C13 Ru1 71.41(10) . .
C14 C13 H13A 126.1 . .
C12 C13 H13A 126.1 . .
Ru1 C13 H13A 122.8 . .
C10 C14 C13 108.16(16) . .
C10 C14 Ru1 71.55(10) . .
C13 C14 Ru1 70.82(10) . .
C10 C14 H14A 125.9 . .
C13 C14 H14A 125.9 . .
Ru1 C14 H14A 123.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
K1 N4 2.8274(13) .
K1 N6 2.8413(12) .
K1 N5 2.9310(12) .
K1 C3 3.1179(19) .
K1 C2 3.2546(18) .
K1 C18 3.2775(15) 2_765
K1 C3 3.3226(19) 2_765
K1 C53 3.4827(18) .
K1 H2C 2.988(19) .
K1 H3B 2.88(2) .
K1 H3C 3.012(19) .
Ru1 C17 2.1674(14) .
Ru1 C13 2.1678(16) .
Ru1 C19 2.1693(13) .
Ru1 C16 2.1733(14) .
Ru1 C14 2.1749(17) .
Ru1 C12 2.1771(16) .
Ru1 C15 2.1774(14) .
Ru1 C11 2.1789(15) .
Ru1 C10 2.1838(16) .
Ru1 C18 2.2093(14) .
Zn1 C2 2.0174(16) .
Zn1 C18 2.0192(15) .
Zn1 C3 2.0358(17) .
N6 C63 1.459(2) .
N6 C61 1.4643(19) .
N6 C62 1.467(2) .
N5 C53 1.464(2) .
N5 C52 1.4687(19) .
N5 C51 1.471(2) .
C61 C52 1.517(2) .
C61 H61A 0.990 .
C61 H61B 0.990 .
N4 C43 1.456(2) .
N4 C41 1.461(2) .
N4 C42 1.467(2) .
C18 C19 1.441(2) .
C18 C17 1.443(2) .
C18 K1 3.2775(15) 2_765
C15 C16 1.420(2) .
C15 C19 1.430(2) .
C15 H15A 0.950 .
C63 H63A 0.980 .
C63 H63B 0.980 .
C63 H63C 0.980 .
C17 C16 1.426(2) .
C17 H17A 0.950 .
C3 K1 3.3226(19) 2_765
C3 H3A 0.87(2) .
C3 H3B 0.93(2) .
C3 H3C 0.994(19) .
C19 H19A 0.950 .
C52 H52A 0.990 .
C52 H52B 0.990 .
C62 H62A 0.980 .
C62 H62B 0.980 .
C62 H62C 0.980 .
C2 H2A 0.94(2) .
C2 H2B 0.97(2) .
C2 H2C 0.995(19) .
C41 C51 1.510(2) .
C41 H41A 0.990 .
C41 H41B 0.990 .
C16 H16A 0.950 .
C51 H51A 0.990 .
C51 H51B 0.990 .
C53 H53A 0.955(19) .
C53 H53B 1.002(18) .
C53 H53C 0.951(17) .
C12 C13 1.411(3) .
C12 C11 1.413(3) .
C12 H12A 0.950 .
C11 C10 1.399(3) .
C11 H11A 0.950 .
C43 H43A 0.980 .
C43 H43B 0.980 .
C43 H43C 0.980 .
C42 H42A 0.980 .
C42 H42B 0.980 .
C42 H42C 0.980 .
C10 C14 1.404(3) .
C10 H10A 0.950 .
C13 C14 1.407(3) .
C13 H13A 0.950 .
C14 H14A 0.950 .
