#------------------------------------------------------------------------------
#$Date: 2016-03-26 00:00:29 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180055 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/01/7050145.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_7050145
loop_
_publ_author_name
'Malek, Kamilla'
'Vala, Martin'
'Swiatek-Kozlowska, Jolanta'
'Proniewicz, Leonard M.'
_publ_section_title
;
 Solid state study of the copper(ii) complex of 2-hydroxyiminopropanoic
 acidElectronic supplementary information (ESI) available: bond
 lengths, bond angles and hydrogen bonds for K[CuHL2]�H2O;
 harmonic frequencies, IR and Raman intensities and potential energy
 distributions for hpa and K[CuHL2]�H2O. See
 http://www.rsc.org/suppdata/nj/b3/b307066m/
;
_journal_issue                   4
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              477
_journal_paper_doi               10.1039/b307066m
_journal_volume                  28
_journal_year                    2004
_chemical_formula_sum            'C6 H9 Cu K N2 O7'
_chemical_formula_weight         323.79
_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                99.737(2)
_cell_angle_beta                 92.727(2)
_cell_angle_gamma                109.999(2)
_cell_formula_units_Z            4
_cell_length_a                   8.6072(7)
_cell_length_b                   11.550(2)
_cell_length_c                   11.857(2)
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      28.0
_cell_measurement_theta_min      2.0
_cell_volume                     1084.6(3)
_computing_cell_refinement       'Bruker SMART & SAINT (Bruker 1998)'
_computing_data_collection       'Bruker SMART (Bruker 1998)'
_computing_data_reduction        'Bruker SHELXTL (Bruker 2000)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.949
_diffrn_measured_fraction_theta_max 0.949
_diffrn_measurement_device_type  'SMART CCD area detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0606
_diffrn_reflns_av_sigmaI/netI    0.0570
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            6978
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.75
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.423
_exptl_absorpt_correction_T_max  0.9355
_exptl_absorpt_correction_T_min  0.6157
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
'based on measured indexed crystal faces, SHELXTL (Bruker 1998)'
_exptl_crystal_colour            gray
_exptl_crystal_density_diffrn    1.983
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             652
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.711
_refine_diff_density_min         -0.581
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.977
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     336
_refine_ls_number_reflns         4738
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.977
_refine_ls_R_factor_all          0.0507
_refine_ls_R_factor_gt           0.0333
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0456P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0836
_refine_ls_wR_factor_ref         0.0893
_reflns_number_gt                3562
_reflns_number_total             4738
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b307066m.txt
_cod_data_source_block           kam1
_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 
;
_cod_original_cell_volume        1084.7(2)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7050145
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
Cu1 Cu 0.00105(4) 0.74204(3) 0.27499(3) 0.02272(11) Uani 1 1 d . . .
Cu2 Cu -0.50446(4) 0.26433(3) 0.75799(3) 0.02131(11) Uani 1 1 d . . .
O1 O -0.1088(2) 0.59467(18) 0.34239(18) 0.0226(4) Uani 1 1 d . . .
O2 O -0.1001(3) 0.40474(19) 0.3437(2) 0.0278(5) Uani 1 1 d . . .
O3 O 0.2134(3) 0.66370(19) 0.11679(19) 0.0262(5) Uani 1 1 d . . .
H3 H 0.214(6) 0.775(4) 0.115(4) 0.079(15) Uiso 1 1 d . . .
O4 O 0.2031(3) 0.87432(19) 0.11196(18) 0.0252(5) Uani 1 1 d . . .
O5 O -0.0978(3) 1.05429(19) 0.35082(19) 0.0258(5) Uani 1 1 d . . .
O6 O -0.1110(2) 0.85586(19) 0.34144(18) 0.0241(5) Uani 1 1 d . . .
O7 O -0.4115(3) 0.39429(19) 0.66902(18) 0.0245(5) Uani 1 1 d . . .
O8 O -0.4039(3) 0.5864(2) 0.6569(2) 0.0306(5) Uani 1 1 d . . .
O9 O -0.6962(3) 0.3625(2) 0.9171(2) 0.0309(5) Uani 1 1 d . . .
O10 O -0.6988(3) 0.1512(2) 0.93280(18) 0.0261(5) Uani 1 1 d . . .
H9 H -0.698(5) 0.245(4) 0.935(4) 0.063(13) Uiso 1 1 d . . .
O11 O -0.4727(3) -0.06992(19) 0.6687(2) 0.0321(5) Uani 1 1 d . . .
O12 O -0.4456(3) 0.12924(19) 0.67036(18) 0.0255(5) Uani 1 1 d . . .
N1 N 0.1025(3) 0.6307(2) 0.1932(2) 0.0212(5) Uani 1 1 d . . .
N2 N 0.0987(3) 0.8778(2) 0.1940(2) 0.0208(5) Uani 1 1 d . . .
N3 N -0.5936(3) 0.3856(2) 0.8346(2) 0.0210(5) Uani 1 1 d . . .
N4 N -0.6077(3) 0.1352(2) 0.8450(2) 0.0197(5) Uani 1 1 d . . .
C1 C -0.0624(3) 0.5024(3) 0.3051(3) 0.0214(6) Uani 1 1 d . . .
C2 C 0.0455(3) 0.5165(3) 0.2078(3) 0.0206(6) Uani 1 1 d . . .
C3 C 0.0802(4) 0.4096(3) 0.1389(3) 0.0275(7) Uani 1 1 d . . .
H3A H 0.1539 0.4399 0.0814 0.041 Uiso 1 1 calc R . .
H3B H -0.0245 0.3457 0.1000 0.041 Uiso 1 1 calc R . .
H3C H 0.1342 0.3727 0.1901 0.041 Uiso 1 1 calc R . .
C4 C -0.0580(4) 0.9639(3) 0.3113(3) 0.0212(6) Uani 1 1 d . . .
C5 C 0.0601(4) 0.9755(3) 0.2200(3) 0.0217(6) Uani 1 1 d . . .
C6 C 0.1218(4) 1.0903(3) 0.1685(3) 0.0312(7) Uani 1 1 d . . .
H6A H 0.2155 1.1544 0.2196 0.047 Uiso 1 1 calc R . .
H6B H 0.0320 1.1229 0.1586 0.047 Uiso 1 1 calc R . .
H6C H 0.1585 1.0686 0.0933 0.047 Uiso 1 1 calc R . .
C7 C -0.4464(3) 0.4937(3) 0.7027(3) 0.0222(6) Uani 1 1 d . . .
C8 C -0.5463(3) 0.4932(3) 0.8040(3) 0.0213(6) Uani 1 1 d . . .
C9 C -0.5825(4) 0.6050(3) 0.8600(3) 0.0279(7) Uani 1 1 d . . .
H9A H -0.6537 0.5830 0.9209 0.042 Uiso 1 1 calc R . .
H9B H -0.6397 0.6328 0.8025 0.042 Uiso 1 1 calc R . .
H9C H -0.4780 0.6730 0.8934 0.042 Uiso 1 1 calc R . .
C10 C -0.4948(4) 0.0275(3) 0.7108(3) 0.0229(6) Uani 1 1 d . . .
C11 C -0.5882(3) 0.0297(3) 0.8146(2) 0.0198(6) Uani 1 1 d . . .
C12 C -0.6507(4) -0.0825(3) 0.8680(3) 0.0311(7) Uani 1 1 d . . .
H12A H -0.7027 -0.0623 0.9367 0.047 Uiso 1 1 calc R . .
H12B H -0.5576 -0.1078 0.8899 0.047 Uiso 1 1 calc R . .
H12C H -0.7329 -0.1516 0.8127 0.047 Uiso 1 1 calc R . .
O20 O -0.7103(3) 0.1653(2) 0.4724(2) 0.0316(6) Uani 1 1 d . . .
H20A H -0.674(4) 0.120(3) 0.443(3) 0.007(8) Uiso 1 1 d . . .
H20B H -0.756(5) 0.143(4) 0.525(4) 0.042(12) Uiso 1 1 d . . .
O30 O -0.1947(3) 0.1820(2) 0.5381(2) 0.0272(5) Uani 1 1 d . . .
H30A H -0.264(4) 0.159(3) 0.566(3) 0.016(9) Uiso 1 1 d . . .
H30B H -0.185(5) 0.119(4) 0.480(4) 0.059(13) Uiso 1 1 d . . .
K1 K 0.10545(8) 0.30101(6) 0.43309(6) 0.02492(16) Uani 1 1 d . . .
K2 K -0.38884(8) 0.31324(6) 0.44377(6) 0.02343(15) Uani 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'
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'
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
_geom_angle_publ_flag
N2 Cu1 N1 94.91(10) . . ?
N2 Cu1 O1 174.44(10) . . ?
N1 Cu1 O1 82.49(9) . . ?
N2 Cu1 O6 81.53(9) . . ?
N1 Cu1 O6 173.89(10) . . ?
O1 Cu1 O6 100.62(8) . . ?
N2 Cu1 K1 139.06(7) . 2_566 ?
N1 Cu1 K1 117.22(7) . 2_566 ?
O1 Cu1 K1 46.03(6) . 2_566 ?
O6 Cu1 K1 68.22(6) . 2_566 ?
N3 Cu2 N4 95.71(10) . . ?
N3 Cu2 O7 82.58(9) . . ?
N4 Cu2 O7 177.21(9) . . ?
N3 Cu2 O12 172.12(10) . . ?
N4 Cu2 O12 81.97(9) . . ?
O7 Cu2 O12 99.43(8) . . ?
N3 Cu2 K2 113.45(7) . . ?
N4 Cu2 K2 142.40(7) . . ?
O7 Cu2 K2 37.67(6) . . ?
O12 Cu2 K2 65.86(6) . . ?
C1 O1 Cu1 112.27(17) . . ?
C1 O1 K1 126.68(18) . 2_566 ?
Cu1 O1 K1 102.71(8) . 2_566 ?
C1 O2 K1 128.39(18) . . ?
C1 O2 K2 122.79(18) . . ?
K1 O2 K2 103.85(7) . . ?
C4 O5 K1 128.56(19) . 1_565 ?
C4 O6 Cu1 113.31(17) . . ?
C7 O7 Cu2 112.83(17) . . ?
C7 O7 K2 121.59(17) . . ?
Cu2 O7 K2 116.31(9) . . ?
C7 O8 K2 126.79(19) . 2_466 ?
C7 O8 K1 129.60(19) . 2_566 ?
K2 O8 K1 101.14(7) 2_466 2_566 ?
C10 O11 K2 147.3(2) . 2_456 ?
C10 O12 Cu2 113.06(18) . . ?
C2 N1 O3 120.2(2) . . ?
C2 N1 Cu1 115.33(19) . . ?
O3 N1 Cu1 124.11(17) . . ?
C5 N2 O4 118.8(2) . . ?
C5 N2 Cu1 116.92(19) . . ?
O4 N2 Cu1 124.26(18) . . ?
C8 N3 O9 120.7(2) . . ?
C8 N3 Cu2 116.0(2) . . ?
O9 N3 Cu2 123.23(17) . . ?
C11 N4 O10 119.8(2) . . ?
C11 N4 Cu2 116.46(18) . . ?
O10 N4 Cu2 123.71(18) . . ?
O2 C1 O1 124.2(3) . . ?
O2 C1 C2 119.1(3) . . ?
O1 C1 C2 116.7(2) . . ?
N1 C2 C3 125.1(3) . . ?
N1 C2 C1 111.8(3) . . ?
C3 C2 C1 123.1(2) . . ?
O5 C4 O6 124.9(3) . . ?
O5 C4 C5 119.6(3) . . ?
O6 C4 C5 115.5(2) . . ?
N2 C5 C6 125.4(3) . . ?
N2 C5 C4 112.2(2) . . ?
C6 C5 C4 122.3(3) . . ?
O8 C7 O7 123.9(3) . . ?
O8 C7 C8 119.5(3) . . ?
O7 C7 C8 116.6(2) . . ?
N3 C8 C9 125.5(3) . . ?
N3 C8 C7 111.6(3) . . ?
C9 C8 C7 122.9(3) . . ?
O11 C10 O12 124.3(3) . . ?
O11 C10 C11 119.1(3) . . ?
O12 C10 C11 116.6(3) . . ?
N4 C11 C12 127.2(3) . . ?
N4 C11 C10 111.8(2) . . ?
C12 C11 C10 121.0(3) . . ?
K1 O20 K2 104.47(8) 1_455 . ?
K2 O30 K1 95.23(7) . . ?
O20 K1 O2 166.69(8) 1_655 . ?
O20 K1 O1 96.59(8) 1_655 2_566 ?
O2 K1 O1 96.28(7) . 2_566 ?
O20 K1 O5 74.80(7) 1_655 1_545 ?
O2 K1 O5 95.94(7) . 1_545 ?
O1 K1 O5 118.83(6) 2_566 1_545 ?
O20 K1 O8 75.66(7) 1_655 2_566 ?
O2 K1 O8 102.35(6) . 2_566 ?
O1 K1 O8 112.81(7) 2_566 2_566 ?
O5 K1 O8 122.36(7) 1_545 2_566 ?
O20 K1 O30 101.86(7) 1_655 . ?
O2 K1 O30 80.56(6) . . ?
O1 K1 O30 65.13(6) 2_566 . ?
O5 K1 O30 58.38(6) 1_545 . ?
O8 K1 O30 176.74(7) 2_566 . ?
O20 K1 Cu1 81.60(6) 1_655 2_566 ?
O2 K1 Cu1 108.07(5) . 2_566 ?
O1 K1 Cu1 31.26(4) 2_566 2_566 ?
O5 K1 Cu1 88.40(5) 1_545 2_566 ?
O8 K1 Cu1 133.79(5) 2_566 2_566 ?
O30 K1 Cu1 43.20(5) . 2_566 ?
O20 K1 K2 109.02(6) 1_655 2_566 ?
O2 K1 K2 80.40(5) . 2_566 ?
O1 K1 K2 60.64(4) 2_566 2_566 ?
O5 K1 K2 176.12(5) 1_545 2_566 ?
O8 K1 K2 60.08(5) 2_566 2_566 ?
O30 K1 K2 119.38(5) . 2_566 ?
Cu1 K1 K2 91.499(18) 2_566 2_566 ?
O20 K1 K2 38.78(5) 1_655 1_655 ?
O2 K1 K2 141.36(5) . 1_655 ?
O1 K1 K2 98.86(5) 2_566 1_655 ?
O5 K1 K2 107.22(5) 1_545 1_655 ?
O8 K1 K2 39.06(5) 2_566 1_655 ?
O30 K1 K2 137.96(5) . 1_655 ?
Cu1 K1 K2 103.172(18) 2_566 1_655 ?
K2 K1 K2 76.574(17) 2_566 1_655 ?
O20 K1 K2 143.05(5) 1_655 . ?
O2 K1 K2 38.40(4) . . ?
O1 K1 K2 77.28(5) 2_566 . ?
O5 K1 K2 76.64(5) 1_545 . ?
O8 K1 K2 140.57(5) 2_566 . ?
O30 K1 K2 42.23(5) . . ?
Cu1 K1 K2 74.623(15) 2_566 . ?
K2 K1 K2 99.599(17) 2_566 . ?
K2 K1 K2 175.63(2) 1_655 . ?
O7 K2 O11 124.17(6) . 2_456 ?
O7 K2 O2 122.33(7) . . ?
O11 K2 O2 103.62(7) 2_456 . ?
O7 K2 O8 99.41(7) . 2_466 ?
O11 K2 O8 99.73(7) 2_456 2_466 ?
O2 K2 O8 102.47(6) . 2_466 ?
O7 K2 O20 77.07(7) . . ?
O11 K2 O20 58.86(7) 2_456 . ?
O2 K2 O20 160.43(8) . . ?
O8 K2 O20 74.42(7) 2_466 . ?
O7 K2 O30 83.37(7) . . ?
O11 K2 O30 74.43(7) 2_456 . ?
O2 K2 O30 80.21(7) . . ?
O8 K2 O30 174.07(7) 2_466 . ?
O20 K2 O30 101.26(7) . . ?
O7 K2 Cu2 26.02(4) . . ?
O11 K2 Cu2 98.44(5) 2_456 . ?
O2 K2 Cu2 136.17(5) . . ?
O8 K2 Cu2 110.55(5) 2_466 . ?
O20 K2 Cu2 60.35(6) . . ?
O30 K2 Cu2 69.89(5) . . ?
O7 K2 K1 66.60(4) . 2_566 ?
O11 K2 K1 168.30(5) 2_456 2_566 ?
O2 K2 K1 64.85(5) . 2_566 ?
O8 K2 K1 81.66(5) 2_466 2_566 ?
O20 K2 K1 132.10(6) . 2_566 ?
O30 K2 K1 104.27(5) . 2_566 ?
Cu2 K2 K1 91.860(18) . 2_566 ?
O7 K2 K1 78.15(5) . 1_455 ?
O11 K2 K1 84.42(5) 2_456 1_455 ?
O2 K2 K1 142.07(5) . 1_455 ?
O8 K2 K1 39.80(4) 2_466 1_455 ?
O20 K2 K1 36.76(5) . 1_455 ?
O30 K2 K1 136.91(5) . 1_455 ?
Cu2 K2 K1 76.868(14) . 1_455 ?
K1 K2 K1 103.426(17) 2_566 1_455 ?
O7 K2 K1 105.50(5) . . ?
O11 K2 K1 91.48(5) 2_456 . ?
O2 K2 K1 37.74(4) . . ?
O8 K2 K1 140.17(5) 2_466 . ?
O20 K2 K1 141.08(5) . . ?
O30 K2 K1 42.54(5) . . ?
Cu2 K2 K1 105.311(18) . . ?
K1 K2 K1 80.401(17) 2_566 . ?
K1 K2 K1 175.63(2) 1_455 . ?
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
Cu1 N2 1.943(2) . ?
Cu1 N1 1.945(2) . ?
Cu1 O1 1.9649(19) . ?
Cu1 O6 1.967(2) . ?
Cu1 K1 3.6934(8) 2_566 ?
Cu2 N3 1.935(2) . ?
Cu2 N4 1.944(2) . ?
Cu2 O7 1.9494(19) . ?
Cu2 O12 1.953(2) . ?
Cu2 K2 3.9837(8) . ?
O1 C1 1.280(3) . ?
O1 K1 2.725(2) 2_566 ?
O2 C1 1.235(3) . ?
O2 K1 2.719(2) . ?
O2 K2 2.759(2) . ?
O3 N1 1.352(3) . ?
O4 N2 1.360(3) . ?
O5 C4 1.233(3) . ?
O5 K1 2.760(2) 1_565 ?
O6 C4 1.292(3) . ?
O7 C7 1.289(4) . ?
O7 K2 2.716(2) . ?
O8 C7 1.234(3) . ?
O8 K2 2.763(2) 2_466 ?
O8 K1 2.806(2) 2_566 ?
O9 N3 1.348(3) . ?
O10 N4 1.358(3) . ?
O11 C10 1.232(3) . ?
O11 K2 2.718(2) 2_456 ?
O12 C10 1.288(3) . ?
N1 C2 1.285(4) . ?
N2 C5 1.276(4) . ?
N3 C8 1.290(4) . ?
N4 C11 1.281(4) . ?
C1 C2 1.511(4) . ?
C2 C3 1.489(4) . ?
C4 C5 1.512(4) . ?
C5 C6 1.495(4) . ?
C7 C8 1.510(4) . ?
C8 C9 1.486(4) . ?
C10 C11 1.503(4) . ?
C11 C12 1.485(4) . ?
O20 K1 2.658(3) 1_455 ?
O20 K2 2.782(2) . ?
O30 K2 2.910(2) . ?
O30 K1 2.927(2) . ?
K1 O20 2.658(3) 1_655 ?
K1 O1 2.725(2) 2_566 ?
K1 O5 2.760(2) 1_545 ?
K1 O8 2.806(2) 2_566 ?
K1 Cu1 3.6934(8) 2_566 ?
K1 K2 4.2380(10) 2_566 ?
K1 K2 4.3016(10) 1_655 ?
K1 K2 4.3119(9) . ?
K2 O11 2.718(2) 2_456 ?
K2 O8 2.763(2) 2_466 ?
K2 K1 4.2380(10) 2_566 ?
K2 K1 4.3016(9) 1_455 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O4 H3 O3 1.19(5) 1.29(5) 2.475(3) 176(4) .
O4 H3 N1 1.19(5) 2.02(4) 2.988(3) 136(3) .
O10 H9 O9 1.08(4) 1.41(4) 2.472(3) 170(4) .
O10 H9 N3 1.08(4) 2.15(4) 2.999(3) 134(3) .
O20 H20A O11 0.74(3) 2.02(3) 2.703(3) 152(3) 2_456
O20 H20B O6 0.78(4) 2.00(4) 2.747(3) 159(4) 2_466
O30 H30A O12 0.69(3) 2.02(3) 2.690(3) 167(4) .
O30 H30B O5 0.95(5) 1.89(4) 2.778(3) 156(3) 1_545
