#------------------------------------------------------------------------------
#$Date: 2016-03-23 23:50:39 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179515 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/12/4341220.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_4341220
loop_
_publ_author_name
'Liu, Jun-Feng'
'Min, Xue'
'Lv, Jin-Yu'
'Pan, Fu-Xing'
'Pan, Qing-Jiang'
'Sun, Zhong-Ming'
_publ_section_title
;
 Ligand-controlled syntheses of copper(i) complexes with metal-metal
 interactions: crystal structure and relativistic density functional
 theory investigation.
;
_journal_issue                   20
_journal_name_full               'Inorganic chemistry'
_journal_page_first              11068
_journal_page_last               11074
_journal_paper_doi               10.1021/ic5015797
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C106 H136 Cu2 K2 N4 O12 Si2'
_chemical_formula_weight         1919.65
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 111.1340(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.9799(7)
_cell_length_b                   18.3062(9)
_cell_length_c                   19.7665(9)
_cell_measurement_reflns_used    '10035 / 0 / 552'
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.11
_cell_measurement_theta_min      1.57
_cell_volume                     5055.9(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker Apex II CCD '
_diffrn_measurement_method       multi-scan
_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  0.0508
_diffrn_reflns_av_sigmaI/netI    0.0563
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            31523
_diffrn_reflns_theta_full        26.11
_diffrn_reflns_theta_max         26.11
_diffrn_reflns_theta_min         1.57
_exptl_absorpt_coefficient_mu    0.588
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.6636
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            Yellowish
_exptl_crystal_density_diffrn    1.261
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2040
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.505
_refine_diff_density_min         -0.657
_refine_diff_density_rms         0.064
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     577
_refine_ls_number_reflns         10035
_refine_ls_number_restraints     63
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.0902
_refine_ls_R_factor_gt           0.0543
_refine_ls_shift/su_max          0.026
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0776P)²+0.9714P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1401
_refine_ls_wR_factor_ref         0.1599
_reflns_number_gt                6696
_reflns_number_total             10035
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5015797_si_002.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 4341220--4341222.cif.'
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4341220
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
Cu1 Cu 0.49281(3) 0.43122(2) 0.51359(2) 0.03336(13) Uani 1 1 d .
K1 K 0.90506(6) 0.85648(5) 0.64450(5) 0.0615(3) Uani 1 1 d .
Si1 Si 0.68730(6) 0.49327(4) 0.59027(4) 0.0311(2) Uani 1 1 d .
O1 O 1.0618(3) 0.7744(2) 0.6401(3) 0.0990(12) Uani 1 1 d .
O2 O 0.9467(3) 0.8476(2) 0.5186(2) 0.1054(13) Uani 1 1 d .
O3 O 0.8408(3) 0.9690(2) 0.53713(19) 0.0985(12) Uani 1 1 d .
O4 O 0.7951(2) 0.97140(19) 0.6638(2) 0.0940(11) Uani 1 1 d .
O5 O 0.8998(3) 0.8855(2) 0.77960(19) 0.0961(11) Uani 1 1 d .
O6 O 1.0074(3) 0.76836(19) 0.7601(2) 0.0890(10) Uani 1 1 d .
N1 N 0.61226(18) 0.42459(13) 0.59089(13) 0.0331(6) Uani 1 1 d .
N2 N 0.62553(18) 0.57244(13) 0.56401(13) 0.0338(6) Uani 1 1 d .
C1 C 0.6262(2) 0.35536(18) 0.62466(17) 0.0371(7) Uani 1 1 d .
C2 C 0.6440(2) 0.29174(17) 0.59133(18) 0.0400(8) Uani 1 1 d .
C3 C 0.6545(3) 0.2244(2) 0.6260(2) 0.0547(10) Uani 1 1 d .
H3A H 0.6665 0.1832 0.6031 0.066 Uiso 1 1 calc R
C4 C 0.6477(3) 0.2172(2) 0.6929(2) 0.0632(11) Uani 1 1 d .
H4A H 0.6551 0.1718 0.7153 0.076 Uiso 1 1 calc R
C5 C 0.6297(3) 0.2782(2) 0.7259(2) 0.0582(10) Uani 1 1 d .
H5A H 0.6247 0.2736 0.7713 0.070 Uiso 1 1 calc R
C6 C 0.6186(2) 0.34674(19) 0.69390(18) 0.0442(8) Uani 1 1 d .
C7 C 0.6491(2) 0.29310(19) 0.51558(19) 0.0458(8) Uani 1 1 d .
H7A H 0.6326 0.3426 0.4964 0.055 Uiso 1 1 calc R
C8 C 0.7490(3) 0.2763(2) 0.5164(2) 0.0688(12) Uani 1 1 d .
H8A H 0.7942 0.3092 0.5490 0.103 Uiso 1 1 calc R
H8B H 0.7501 0.2821 0.4685 0.103 Uiso 1 1 calc R
H8C H 0.7657 0.2269 0.5324 0.103 Uiso 1 1 calc R
C9 C 0.5773(3) 0.2409(2) 0.4636(2) 0.0634(11) Uani 1 1 d .
H9A H 0.5825 0.2437 0.4167 0.095 Uiso 1 1 calc R
H9B H 0.5136 0.2542 0.4597 0.095 Uiso 1 1 calc R
H9C H 0.5905 0.1919 0.4817 0.095 Uiso 1 1 calc R
C10 C 0.5952(3) 0.4117(2) 0.73240(19) 0.0554(10) Uani 1 1 d .
H10A H 0.6176 0.4556 0.7150 0.066 Uiso 1 1 calc R
C11 C 0.6445(3) 0.4097(3) 0.8147(2) 0.0794(14) Uani 1 1 d .
H11A H 0.7124 0.4048 0.8270 0.119 Uiso 1 1 calc R
H11B H 0.6210 0.3689 0.8339 0.119 Uiso 1 1 calc R
H11C H 0.6312 0.4542 0.8351 0.119 Uiso 1 1 calc R
C12 C 0.4867(3) 0.4192(3) 0.7120(2) 0.0792(14) Uani 1 1 d .
H12A H 0.4563 0.4207 0.6602 0.119 Uiso 1 1 calc R
H12B H 0.4729 0.4634 0.7324 0.119 Uiso 1 1 calc R
H12C H 0.4629 0.3782 0.7306 0.119 Uiso 1 1 calc R
C13 C 0.7529(2) 0.47233(18) 0.52566(18) 0.0400(8) Uani 1 1 d .
C14 C 0.8513(3) 0.4618(2) 0.5478(2) 0.0542(10) Uani 1 1 d .
H14A H 0.8884 0.4661 0.5968 0.065 Uiso 1 1 calc R
C15 C 0.8959(3) 0.4450(2) 0.4994(3) 0.0674(12) Uani 1 1 d .
H15A H 0.9618 0.4379 0.5161 0.081 Uiso 1 1 calc R
C16 C 0.8428(4) 0.4388(2) 0.4268(3) 0.0708(13) Uani 1 1 d .
H16A H 0.8725 0.4276 0.3941 0.085 Uiso 1 1 calc R
C17 C 0.7453(3) 0.4492(2) 0.4026(2) 0.0632(11) Uani 1 1 d .
H17A H 0.7090 0.4452 0.3535 0.076 Uiso 1 1 calc R
C18 C 0.7017(3) 0.4657(2) 0.45137(19) 0.0494(9) Uani 1 1 d .
H18A H 0.6358 0.4726 0.4341 0.059 Uiso 1 1 calc R
C19 C 0.7924(2) 0.50513(17) 0.67962(17) 0.0372(7) Uani 1 1 d .
C20 C 0.8494(2) 0.5674(2) 0.6937(2) 0.0506(9) Uani 1 1 d .
H20A H 0.8356 0.6041 0.6589 0.061 Uiso 1 1 calc R
C21 C 0.9263(3) 0.5763(2) 0.7582(2) 0.0613(11) Uani 1 1 d .
H21A H 0.9625 0.6189 0.7663 0.074 Uiso 1 1 calc R
C22 C 0.9495(3) 0.5229(3) 0.8103(2) 0.0612(11) Uani 1 1 d .
H22A H 1.0013 0.5288 0.8535 0.073 Uiso 1 1 calc R
C23 C 0.8954(3) 0.4611(3) 0.7976(2) 0.0586(10) Uani 1 1 d .
H23A H 0.9103 0.4247 0.8327 0.070 Uiso 1 1 calc R
C24 C 0.8186(2) 0.4518(2) 0.73333(19) 0.0465(9) Uani 1 1 d .
H24A H 0.7835 0.4087 0.7258 0.056 Uiso 1 1 calc R
C25 C 0.6513(2) 0.64426(16) 0.58828(16) 0.0331(7) Uani 1 1 d .
C26 C 0.6471(2) 0.66913(18) 0.65505(18) 0.0422(8) Uani 1 1 d .
C27 C 0.6680(3) 0.7411(2) 0.6756(2) 0.0554(10) Uani 1 1 d .
H27A H 0.6636 0.7568 0.7191 0.066 Uiso 1 1 calc R
C28 C 0.6950(3) 0.7903(2) 0.6344(2) 0.0616(11) Uani 1 1 d .
H28A H 0.6496 0.8311 0.6234 0.074 Uiso 1 1 calc R
C29 C 0.7010(3) 0.7668(2) 0.5696(2) 0.0568(10) Uani 1 1 d .
H29A H 0.6587 0.7985 0.5315 0.068 Uiso 1 1 calc R
C30 C 0.6792(2) 0.69545(18) 0.54574(18) 0.0418(8) Uani 1 1 d .
C31 C 0.6141(3) 0.6183(2) 0.70219(19) 0.0521(9) Uani 1 1 d .
H31A H 0.6139 0.5686 0.6838 0.063 Uiso 1 1 calc R
C32 C 0.6807(4) 0.6187(3) 0.7814(2) 0.0839(15) Uani 1 1 d .
H32A H 0.7446 0.6071 0.7846 0.126 Uiso 1 1 calc R
H32B H 0.6594 0.5829 0.8078 0.126 Uiso 1 1 calc R
H32C H 0.6800 0.6661 0.8018 0.126 Uiso 1 1 calc R
C33 C 0.5122(3) 0.6360(3) 0.6961(3) 0.0858(15) Uani 1 1 d .
H33A H 0.4931 0.6031 0.7262 0.129 Uiso 1 1 calc R
H33B H 0.4700 0.6306 0.6466 0.129 Uiso 1 1 calc R
H33C H 0.5094 0.6853 0.7116 0.129 Uiso 1 1 calc R
C34 C 0.6874(3) 0.6735(2) 0.4742(2) 0.0568(10) Uani 1 1 d .
H34A H 0.6559 0.6260 0.4606 0.068 Uiso 1 1 calc R
C35 C 0.7915(4) 0.6635(3) 0.4827(3) 0.0954(17) Uani 1 1 d .
H35A H 0.8213 0.6291 0.5209 0.143 Uiso 1 1 calc R
H35B H 0.8241 0.7095 0.4945 0.143 Uiso 1 1 calc R
H35C H 0.7950 0.6454 0.4381 0.143 Uiso 1 1 calc R
C36 C 0.6368(4) 0.7268(3) 0.4133(2) 0.0878(16) Uani 1 1 d .
H36A H 0.5712 0.7318 0.4090 0.132 Uiso 1 1 calc R
H36B H 0.6394 0.7086 0.3685 0.132 Uiso 1 1 calc R
H36C H 0.6678 0.7735 0.4239 0.132 Uiso 1 1 calc R
C37 C 1.0568(5) 0.7532(4) 0.5719(5) 0.137(3) Uani 1 1 d .
H37A H 1.0078 0.7161 0.5531 0.164 Uiso 1 1 calc R
H37B H 1.1175 0.7325 0.5745 0.164 Uiso 1 1 calc R
C38 C 1.0335(6) 0.8178(5) 0.5224(4) 0.139(3) Uani 1 1 d .
H38A H 1.0836 0.8541 0.5404 0.167 Uiso 1 1 calc R
H38B H 1.0299 0.8030 0.4744 0.167 Uiso 1 1 calc R
C39 C 0.9185(7) 0.9039(5) 0.4694(3) 0.141(3) Uani 1 1 d .
H39A H 0.9099 0.8856 0.4214 0.169 Uiso 1 1 calc R
H39B H 0.9682 0.9409 0.4819 0.169 Uiso 1 1 calc R
C40 C 0.8265(6) 0.9378(4) 0.4683(3) 0.138(3) Uani 1 1 d .
H40A H 0.8063 0.9753 0.4312 0.166 Uiso 1 1 calc R
H40B H 0.7768 0.9010 0.4569 0.166 Uiso 1 1 calc R
C41 C 0.7578(4) 1.0036(4) 0.5408(5) 0.130(3) Uani 1 1 d .
H41A H 0.7048 0.9694 0.5267 0.156 Uiso 1 1 calc R
H41B H 0.7403 1.0446 0.5075 0.156 Uiso 1 1 calc R
C42 C 0.7764(5) 1.0294(3) 0.6149(5) 0.122(3) Uani 1 1 d .
H42A H 0.8308 1.0623 0.6293 0.147 Uiso 1 1 calc R
H42B H 0.7213 1.0565 0.6161 0.147 Uiso 1 1 calc R
C43 C 0.8121(5) 0.9922(4) 0.7349(4) 0.124(3) Uani 1 1 d .
H43A H 0.7594 1.0218 0.7369 0.149 Uiso 1 1 calc R
H43B H 0.8701 1.0211 0.7531 0.149 Uiso 1 1 calc R
C44 C 0.8223(6) 0.9260(4) 0.7808(4) 0.128(3) Uani 1 1 d .
H44A H 0.8320 0.9403 0.8302 0.154 Uiso 1 1 calc R
H44B H 0.7645 0.8968 0.7625 0.154 Uiso 1 1 calc R
C45 C 0.9165(6) 0.8232(4) 0.8229(3) 0.120(2) Uani 1 1 d .
H45A H 0.8670 0.7871 0.8014 0.144 Uiso 1 1 calc R
H45B H 0.9168 0.8354 0.8708 0.144 Uiso 1 1 calc R
C46 C 1.0097(6) 0.7949(4) 0.8278(3) 0.123(2) Uani 1 1 d .
H46A H 1.0571 0.8335 0.8442 0.147 Uiso 1 1 calc R
H46B H 1.0285 0.7558 0.8633 0.147 Uiso 1 1 calc R
C47 C 1.0964(4) 0.7442(3) 0.7634(4) 0.107(2) Uani 1 1 d .
H47A H 1.1185 0.7054 0.7990 0.129 Uiso 1 1 calc R
H47B H 1.1421 0.7840 0.7780 0.129 Uiso 1 1 calc R
C48 C 1.0893(4) 0.7170(3) 0.6916(4) 0.113(2) Uani 1 1 d .
H48A H 1.1506 0.6974 0.6942 0.135 Uiso 1 1 calc R
H48B H 1.0424 0.6780 0.6766 0.135 Uiso 1 1 calc R
C49 C 0.4798(5) 1.0587(4) 0.4727(5) 0.108(2) Uani 1 1 d U
C50 C 0.4999(8) 0.9795(6) 0.4566(8) 0.181(4) Uani 1 1 d U
C51 C 0.4944(7) 0.9561(7) 0.3891(7) 0.179(4) Uani 1 1 d U
C52 C 0.4766(9) 1.0401(7) 0.4055(7) 0.207(4) Uani 1 1 d U
C53 C 0.5147(9) 0.9128(7) 0.4605(11) 0.235(6) Uani 1 1 d U
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'
Si Si 0.0817 0.0704 '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'
Cu Cu 0.3201 1.2651 '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
N2 Cu1 N1 174.25(11) 3_666 .
N2 Cu1 Cu1 89.42(8) 3_666 3_666
N1 Cu1 Cu1 95.99(8) . 3_666
O5 K1 O6 60.79(13) . .
O5 K1 O2 166.98(11) . .
O6 K1 O2 117.98(14) . .
O5 K1 O4 59.67(13) . .
O6 K1 O4 120.45(13) . .
O2 K1 O4 120.15(14) . .
O5 K1 O1 116.70(14) . .
O6 K1 O1 59.63(13) . .
O2 K1 O1 58.82(14) . .
O4 K1 O1 161.74(11) . .
O5 K1 O3 117.44(13) . .
O6 K1 O3 165.95(11) . .
O2 K1 O3 60.17(14) . .
O4 K1 O3 60.03(13) . .
O1 K1 O3 114.97(14) . .
O5 K1 C28 76.71(11) . .
O6 K1 C28 93.91(11) . .
O2 K1 C28 116.08(11) . .
O4 K1 C28 71.81(10) . .
O1 K1 C28 126.03(11) . .
O3 K1 C28 99.21(11) . .
O5 K1 C29 100.65(11) . .
O6 K1 C29 103.16(11) . .
O2 K1 C29 92.27(11) . .
O4 K1 C29 86.52(10) . .
O1 K1 C29 111.55(11) . .
O3 K1 C29 90.88(10) . .
C28 K1 C29 24.13(9) . .
O5 K1 C23 83.88(10) . 2_756
O6 K1 C23 83.80(11) . 2_756
O2 K1 C23 83.10(10) . 2_756
O4 K1 C23 91.14(11) . 2_756
O1 K1 C23 70.60(11) . 2_756
O3 K1 C23 82.15(10) . 2_756
C28 K1 C23 158.81(10) . 2_756
C29 K1 C23 172.90(11) . 2_756
O5 K1 C45 21.50(15) . .
O6 K1 C45 42.21(15) . .
O2 K1 C45 160.19(17) . .
O4 K1 C45 79.08(16) . .
O1 K1 C45 101.47(17) . .
O3 K1 C45 138.46(17) . .
C28 K1 C45 72.49(15) . .
C29 K1 C45 93.78(14) . .
C23 K1 C45 92.36(14) 2_756 .
N1 Si1 N2 110.30(13) . .
N1 Si1 C19 114.02(14) . .
N2 Si1 C19 111.28(13) . .
N1 Si1 C13 111.07(14) . .
N2 Si1 C13 108.80(14) . .
C19 Si1 C13 100.95(14) . .
C37 O1 C48 113.2(5) . .
C37 O1 K1 115.4(4) . .
C48 O1 K1 113.7(3) . .
C39 O2 C38 112.2(6) . .
C39 O2 K1 118.5(4) . .
C38 O2 K1 118.8(4) . .
C40 O3 C41 113.4(6) . .
C40 O3 K1 108.4(4) . .
C41 O3 K1 110.5(3) . .
C43 O4 C42 114.3(6) . .
C43 O4 K1 116.4(4) . .
C42 O4 K1 117.5(4) . .
C44 O5 C45 113.2(5) . .
C44 O5 K1 116.0(4) . .
C45 O5 K1 112.1(3) . .
C47 O6 C46 111.8(5) . .
C47 O6 K1 117.6(3) . .
C46 O6 K1 113.5(4) . .
C1 N1 Si1 133.3(2) . .
C1 N1 Cu1 112.02(19) . .
Si1 N1 Cu1 112.60(13) . .
C25 N2 Si1 130.0(2) . .
C25 N2 Cu1 111.96(19) . 3_666
Si1 N2 Cu1 117.94(14) . 3_666
C2 C1 N1 122.7(3) . .
C2 C1 C6 116.9(3) . .
N1 C1 C6 120.3(3) . .
C3 C2 C1 120.5(3) . .
C3 C2 C7 117.4(3) . .
C1 C2 C7 122.0(3) . .
C4 C3 C2 121.8(4) . .
C3 C4 C5 118.5(4) . .
C4 C5 C6 122.1(4) . .
C5 C6 C1 120.1(3) . .
C5 C6 C10 119.3(3) . .
C1 C6 C10 120.6(3) . .
C8 C7 C2 112.5(3) . .
C8 C7 C9 109.4(3) . .
C2 C7 C9 112.2(3) . .
C6 C10 C11 114.0(4) . .
C6 C10 C12 110.6(3) . .
C11 C10 C12 110.0(3) . .
C14 C13 C18 115.9(3) . .
C14 C13 Si1 124.0(3) . .
C18 C13 Si1 120.1(3) . .
C15 C14 C13 122.3(4) . .
C16 C15 C14 119.9(4) . .
C15 C16 C17 119.7(4) . .
C16 C17 C18 119.9(4) . .
C17 C18 C13 122.4(4) . .
C24 C19 C20 116.0(3) . .
C24 C19 Si1 122.6(3) . .
C20 C19 Si1 121.4(3) . .
C21 C20 C19 121.8(4) . .
C22 C21 C20 120.6(4) . .
C23 C22 C21 118.8(4) . .
C22 C23 C24 121.0(4) . .
C22 C23 K1 90.8(2) . 2_746
C24 C23 K1 125.5(3) . 2_746
C23 C24 C19 121.8(4) . .
N2 C25 C26 121.2(3) . .
N2 C25 C30 121.3(3) . .
C26 C25 C30 117.4(3) . .
C27 C26 C25 119.9(3) . .
C27 C26 C31 119.5(3) . .
C25 C26 C31 120.5(3) . .
C28 C27 C26 122.4(4) . .
C27 C28 C29 118.6(4) . .
C27 C28 K1 133.1(3) . .
C29 C28 K1 78.0(2) . .
C28 C29 C30 121.4(4) . .
C28 C29 K1 77.9(2) . .
C30 C29 K1 133.2(3) . .
C29 C30 C25 120.3(3) . .
C29 C30 C34 118.5(3) . .
C25 C30 C34 121.2(3) . .
C26 C31 C33 111.1(3) . .
C26 C31 C32 113.1(3) . .
C33 C31 C32 110.3(4) . .
C35 C34 C30 110.8(3) . .
C35 C34 C36 111.4(4) . .
C30 C34 C36 112.5(4) . .
O1 C37 C38 109.6(6) . .
O2 C38 C37 110.0(5) . .
O2 C39 C40 111.6(6) . .
O3 C40 C39 109.4(5) . .
O3 C41 C42 109.9(5) . .
O4 C42 C41 111.4(6) . .
O4 C43 C44 109.6(5) . .
O5 C44 C43 109.1(5) . .
O5 C45 C46 106.6(5) . .
O5 C45 K1 46.4(2) . .
C46 C45 K1 80.1(3) . .
O6 C46 C45 111.3(5) . .
O6 C47 C48 109.3(5) . .
O1 C48 C47 110.1(5) . .
C52 C49 C53 172.5(10) . 3_676
C52 C49 C50 136.3(10) . 3_676
C53 C49 C50 50.7(7) 3_676 3_676
C52 C49 C50 60.0(8) . .
C53 C49 C50 126.9(11) 3_676 .
C50 C49 C50 76.3(10) 3_676 .
C53 C50 C51 72.5(12) . .
C53 C50 C52 141.9(17) . .
C51 C50 C52 69.4(11) . .
C53 C50 C49 60.5(11) . 3_676
C51 C50 C49 133.0(11) . 3_676
C52 C50 C49 157.5(12) . 3_676
C53 C50 C49 163.9(18) . .
C51 C50 C49 123.2(13) . .
C52 C50 C49 53.8(7) . .
C49 C50 C49 103.7(10) 3_676 .
C53 C50 C50 113.4(18) . 3_676
C51 C50 C50 173.7(16) . 3_676
C52 C50 C50 104.6(11) . 3_676
C49 C50 C50 53.0(9) 3_676 3_676
C49 C50 C50 50.8(6) . 3_676
C50 C51 C53 49.7(8) . .
C50 C51 C52 57.6(8) . .
C53 C51 C52 107.3(10) . .
C49 C52 C50 66.2(8) . .
C49 C52 C51 119.1(10) . .
C50 C52 C51 52.9(7) . .
C50 C53 C49 68.8(11) . 3_676
C50 C53 C51 57.8(10) . .
C49 C53 C51 126.6(10) 3_676 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N2 1.881(2) 3_666
Cu1 N1 1.892(2) .
Cu1 Cu1 2.5998(7) 3_666
K1 O5 2.752(3) .
K1 O6 2.765(3) .
K1 O2 2.781(3) .
K1 O4 2.782(3) .
K1 O1 2.816(3) .
K1 O3 2.863(3) .
K1 C28 3.310(4) .
K1 C29 3.312(4) .
K1 C23 3.383(4) 2_756
K1 C45 3.522(6) .
Si1 N1 1.690(3) .
Si1 N2 1.697(3) .
Si1 C19 1.908(3) .
Si1 C13 1.910(3) .
O1 C37 1.378(8) .
O1 C48 1.417(7) .
O2 C39 1.374(8) .
O2 C38 1.386(8) .
O3 C40 1.419(8) .
O3 C41 1.421(8) .
O4 C43 1.388(7) .
O4 C42 1.396(7) .
O5 C44 1.385(7) .
O5 C45 1.394(7) .
O6 C47 1.383(6) .
O6 C46 1.413(7) .
N1 C1 1.412(4) .
N2 C25 1.405(4) .
N2 Cu1 1.881(2) 3_666
C1 C2 1.410(5) .
C1 C6 1.423(4) .
C2 C3 1.391(5) .
C2 C7 1.526(5) .
C3 C4 1.368(5) .
C4 C5 1.370(6) .
C5 C6 1.388(5) .
C6 C10 1.518(5) .
C7 C8 1.522(5) .
C7 C9 1.527(5) .
C10 C11 1.526(5) .
C10 C12 1.534(6) .
C13 C14 1.392(5) .
C13 C18 1.395(5) .
C14 C15 1.384(5) .
C15 C16 1.372(6) .
C16 C17 1.376(6) .
C17 C18 1.379(5) .
C19 C24 1.391(5) .
C19 C20 1.391(5) .
C20 C21 1.386(5) .
C21 C22 1.369(6) .
C22 C23 1.361(6) .
C23 C24 1.384(5) .
C23 K1 3.383(4) 2_746
C25 C26 1.419(4) .
C25 C30 1.419(4) .
C26 C27 1.382(5) .
C26 C31 1.519(5) .
C27 C28 1.370(5) .
C28 C29 1.384(5) .
C29 C30 1.388(5) .
C30 C34 1.517(5) .
C31 C33 1.522(5) .
C31 C32 1.523(5) .
C34 C35 1.517(6) .
C34 C36 1.522(6) .
C37 C38 1.493(10) .
C39 C40 1.503(10) .
C41 C42 1.466(9) .
C43 C44 1.487(9) .
C45 C46 1.459(9) .
C47 C48 1.471(8) .
C49 C52 1.356(13) .
C49 C53 1.393(18) 3_676
C49 C50 1.492(15) 3_676
C49 C50 1.537(12) .
C50 C53 1.239(14) .
C50 C51 1.375(15) .
C50 C52 1.456(16) .
C50 C49 1.492(15) 3_676
C50 C50 1.87(3) 3_676
C51 C53 1.550(19) .
C51 C52 1.614(16) .
C53 C49 1.393(18) 3_676
