#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/60/7116019.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_7116019
loop_
_publ_author_name
'Nicolas Veiga'
'Julia Torres'
'Carla Bazzicalupi'
'Antonio Bianchi'
'Carlos Kremer'
_publ_section_title
;
 The copper(II)-phytate-terpyridine ternary system: the first crystal
 structures showing the interaction of phytate with bivalent metal and
 ammonium cations
;
_journal_name_full               Chem.Commun.
_journal_page_first              14971
_journal_paper_doi               10.1039/C4cc07226J
_journal_volume                  50
_journal_year                    2014
_chemical_formula_sum            'C36 H51 Cu2 N6 O31.5 P6'
_chemical_formula_weight         1384.73
_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                108.626(4)
_cell_angle_beta                 98.790(4)
_cell_angle_gamma                95.209(4)
_cell_formula_units_Z            2
_cell_length_a                   13.0134(6)
_cell_length_b                   14.0376(6)
_cell_length_c                   15.1132(8)
_cell_measurement_reflns_used    5623
_cell_measurement_temperature    150
_cell_measurement_theta_max      72.2111
_cell_measurement_theta_min      3.1420
_cell_volume                     2556.6(2)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET)
(compiled May  8 2007,13:10:02)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET)
(compiled May  8 2007,13:10:02)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET)
(compiled May  8 2007,13:10:02)
;
_computing_molecular_graphics    'ORTEP3 Ver. 1.01β (Farrugia, 1997)'
_computing_publication_material  'PARST93 (Nardelli, 1993)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR2004 (Burla, 2004)'
_diffrn_ambient_temperature      150
_diffrn_detector_area_resol_mean 8.1241
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.942
_diffrn_measurement_device_type  'Xcalibur, Onyx'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0512
_diffrn_reflns_av_sigmaI/netI    0.0820
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            16294
_diffrn_reflns_theta_full        67.50
_diffrn_reflns_theta_max         72.36
_diffrn_reflns_theta_min         3.14
_diffrn_standards_interval_count infinity
_diffrn_standards_interval_time  infinity
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.763
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.84915
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'light blue'
_exptl_crystal_density_diffrn    1.799
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismtic
_exptl_crystal_F_000             1418
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.804
_refine_diff_density_min         -0.817
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     739
_refine_ls_number_reflns         9532
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.1029
_refine_ls_R_factor_gt           0.0559
_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)+(0.0750P)²+5.6604P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1367
_refine_ls_wR_factor_ref         0.1738
_reflns_number_gt                6007
_reflns_number_total             9532
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4cc07226j2.cif
_cod_data_source_block           '[Cu2(H8L)(terpy)2].7.5H2O'
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C36 H51 Cu2 N6 O31.50 P6'
_cod_database_code               7116019
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
Cu1 Cu 0.62084(6) 0.28352(6) 0.51785(6) 0.0215(2) Uani 1 1 d .
Cu2 Cu 0.91915(6) 0.21545(7) 0.61576(6) 0.0240(2) Uani 1 1 d .
N1 N 0.6135(4) 0.3540(4) 0.4195(3) 0.0254(11) Uani 1 1 d .
C1 C 0.6036(5) 0.3099(5) 0.3264(4) 0.0318(14) Uani 1 1 d .
H1 H 0.5976 0.2395 0.3014 0.038 Uiso 1 1 calc R
C2 C 0.6018(5) 0.3650(6) 0.2653(5) 0.0416(17) Uani 1 1 d .
H2 H 0.5961 0.3323 0.2003 0.050 Uiso 1 1 calc R
C3 C 0.6085(5) 0.4698(6) 0.3021(5) 0.0442(19) Uani 1 1 d .
H3 H 0.6080 0.5083 0.2621 0.053 Uiso 1 1 calc R
C4 C 0.6161(4) 0.5165(6) 0.3989(5) 0.0357(16) Uani 1 1 d .
H4 H 0.6192 0.5866 0.4249 0.043 Uiso 1 1 calc R
C5 C 0.6190(4) 0.4567(5) 0.4562(5) 0.0275(14) Uani 1 1 d .
N2 N 0.6329(4) 0.4245(4) 0.6001(4) 0.0251(11) Uani 1 1 d .
C6 C 0.6303(4) 0.4971(5) 0.5602(5) 0.0283(14) Uani 1 1 d .
C7 C 0.6383(5) 0.5980(5) 0.6168(5) 0.0364(16) Uani 1 1 d .
H7 H 0.6345 0.6488 0.5898 0.044 Uiso 1 1 calc R
C8 C 0.6523(5) 0.6212(5) 0.7144(5) 0.0414(18) Uani 1 1 d .
H8 H 0.6596 0.6886 0.7537 0.050 Uiso 1 1 calc R
C9 C 0.6553(5) 0.5448(5) 0.7541(5) 0.0406(17) Uani 1 1 d .
H9 H 0.6641 0.5605 0.8196 0.049 Uiso 1 1 calc R
C10 C 0.6450(4) 0.4437(5) 0.6941(4) 0.0270(13) Uani 1 1 d .
N3 N 0.6554(4) 0.2680(4) 0.6478(3) 0.0251(11) Uani 1 1 d .
C11 C 0.6543(5) 0.3530(5) 0.7214(4) 0.0296(14) Uani 1 1 d .
C12 C 0.6627(5) 0.3514(6) 0.8131(5) 0.0408(17) Uani 1 1 d .
H12 H 0.6595 0.4097 0.8631 0.049 Uiso 1 1 calc R
C13 C 0.6761(6) 0.2611(7) 0.8291(5) 0.050(2) Uani 1 1 d .
H13 H 0.6820 0.2586 0.8903 0.060 Uiso 1 1 calc R
C14 C 0.6807(5) 0.1759(6) 0.7550(5) 0.0398(17) Uani 1 1 d .
H14 H 0.6917 0.1158 0.7661 0.048 Uiso 1 1 calc R
C15 C 0.6691(5) 0.1790(5) 0.6635(5) 0.0338(15) Uani 1 1 d .
H15 H 0.6705 0.1206 0.6128 0.041 Uiso 1 1 calc R
N4 N 0.8971(4) 0.3563(4) 0.6135(4) 0.0331(12) Uani 1 1 d .
C16 C 0.8877(5) 0.3875(6) 0.5377(5) 0.0383(16) Uani 1 1 d .
H16 H 0.8818 0.3395 0.4775 0.046 Uiso 1 1 calc R
C17 C 0.8866(5) 0.4896(5) 0.5458(6) 0.0395(17) Uani 1 1 d .
H17 H 0.8778 0.5086 0.4919 0.047 Uiso 1 1 calc R
C18 C 0.8984(5) 0.5608(6) 0.6340(6) 0.050(2) Uani 1 1 d .
H18 H 0.8984 0.6291 0.6408 0.059 Uiso 1 1 calc R
C19 C 0.9105(5) 0.5308(5) 0.7134(6) 0.047(2) Uani 1 1 d .
H19 H 0.9200 0.5788 0.7740 0.056 Uiso 1 1 calc R
C20 C 0.9084(5) 0.4286(5) 0.7015(5) 0.0350(16) Uani 1 1 d .
N5 N 0.9409(4) 0.2895(4) 0.7508(4) 0.0306(12) Uani 1 1 d .
C21 C 0.9233(5) 0.3858(5) 0.7788(5) 0.0344(15) Uani 1 1 d .
C22 C 0.9160(5) 0.4340(6) 0.8733(5) 0.046(2) Uani 1 1 d .
H22 H 0.9016 0.5004 0.8936 0.055 Uiso 1 1 calc R
C23 C 0.9305(6) 0.3819(7) 0.9359(5) 0.054(2) Uani 1 1 d .
H23 H 0.9240 0.4130 0.9987 0.065 Uiso 1 1 calc R
C24 C 0.9548(6) 0.2825(6) 0.9069(5) 0.047(2) Uani 1 1 d .
H24 H 0.9677 0.2480 0.9498 0.056 Uiso 1 1 calc R
C25 C 0.9588(5) 0.2380(5) 0.8112(4) 0.0333(15) Uani 1 1 d .
N6 N 0.9410(4) 0.1000(4) 0.6668(3) 0.0236(10) Uani 1 1 d .
C26 C 0.9724(5) 0.1313(5) 0.7629(4) 0.0311(14) Uani 1 1 d .
C27 C 1.0141(5) 0.0685(6) 0.8073(5) 0.0370(16) Uani 1 1 d .
H27 H 1.0370 0.0917 0.8729 0.044 Uiso 1 1 calc R
C28 C 1.0219(5) -0.0305(5) 0.7529(5) 0.0365(16) Uani 1 1 d .
H28 H 1.0510 -0.0739 0.7817 0.044 Uiso 1 1 calc R
C29 C 0.9860(5) -0.0630(5) 0.6563(5) 0.0305(14) Uani 1 1 d .
H29 H 0.9881 -0.1296 0.6190 0.037 Uiso 1 1 calc R
C30 C 0.9468(5) 0.0042(5) 0.6152(4) 0.0279(13) Uani 1 1 d .
H30 H 0.9237 -0.0177 0.5496 0.033 Uiso 1 1 calc R
C31 C 0.6276(4) -0.0523(4) 0.3274(4) 0.0197(12) Uani 1 1 d .
H31 H 0.5765 -0.0106 0.3553 0.024 Uiso 1 1 calc R
C32 C 0.6388(4) -0.1395(4) 0.3669(3) 0.0203(12) Uani 1 1 d .
H32 H 0.5716 -0.1849 0.3491 0.024 Uiso 1 1 calc R
C33 C 0.7221(4) -0.1979(4) 0.3264(4) 0.0194(11) Uani 1 1 d .
H33 H 0.7895 -0.1529 0.3447 0.023 Uiso 1 1 calc R
C34 C 0.6904(4) -0.2407(5) 0.2188(4) 0.0258(13) Uani 1 1 d .
H34 H 0.6244 -0.2879 0.2011 0.031 Uiso 1 1 calc R
C35 C 0.6761(4) -0.1593(5) 0.1762(4) 0.0241(13) Uani 1 1 d .
H35 H 0.7436 -0.1157 0.1885 0.029 Uiso 1 1 calc R
C36 C 0.5959(4) -0.0952(5) 0.2191(4) 0.0215(12) Uani 1 1 d .
H36 H 0.5267 -0.1373 0.2011 0.026 Uiso 1 1 calc R
P1 P 0.75650(11) 0.12336(11) 0.41392(10) 0.0207(3) Uani 1 1 d .
O11 O 0.7297(3) 0.0073(3) 0.3483(2) 0.0200(8) Uani 1 1 d .
O12 O 0.8031(3) 0.1789(3) 0.3517(3) 0.0317(10) Uani 1 1 d .
O13 O 0.6571(3) 0.1585(3) 0.4406(3) 0.0239(9) Uani 1 1 d .
O14 O 0.8432(3) 0.1300(3) 0.4937(3) 0.0301(10) Uani 1 1 d .
P2 P 0.62939(11) -0.14890(11) 0.53918(10) 0.0202(3) Uani 1 1 d .
O21 O 0.6670(3) -0.0960(3) 0.4678(2) 0.0208(8) Uani 1 1 d .
O22 O 0.5931(3) -0.0570(3) 0.6099(3) 0.0256(9) Uani 1 1 d .
O23 O 0.7261(3) -0.1757(3) 0.5909(3) 0.0236(9) Uani 1 1 d .
O24 O 0.5446(3) -0.2363(3) 0.4881(3) 0.0234(9) Uani 1 1 d .
P3 P 0.84120(11) -0.30111(12) 0.41014(10) 0.0230(3) Uani 1 1 d .
O31 O 0.7315(3) -0.2810(3) 0.3629(3) 0.0236(9) Uani 1 1 d .
O32 O 0.9260(3) -0.2201(3) 0.4164(3) 0.0254(9) Uani 1 1 d .
O33 O 0.8240(3) -0.3071(3) 0.5071(3) 0.0294(9) Uani 1 1 d .
O34 O 0.8542(3) -0.4098(3) 0.3522(3) 0.0286(9) Uani 1 1 d .
P4 P 0.75416(13) -0.41328(14) 0.11960(12) 0.0378(4) Uani 1 1 d .
O41 O 0.7725(3) -0.2956(3) 0.1828(3) 0.0279(10) Uani 1 1 d .
O42 O 0.6382(4) -0.4516(4) 0.0989(4) 0.0650(18) Uani 1 1 d .
O43 O 0.7955(5) -0.4131(4) 0.0284(3) 0.0610(17) Uani 1 1 d .
O44 O 0.8205(4) -0.4674(4) 0.1713(3) 0.0484(13) Uani 1 1 d .
P5 P 0.70730(15) -0.18463(17) 0.00158(12) 0.0431(5) Uani 1 1 d .
O51 O 0.6389(3) -0.2053(3) 0.0752(3) 0.0312(10) Uani 1 1 d .
O52 O 0.7862(4) -0.2578(5) -0.0157(3) 0.0576(16) Uani 1 1 d .
O53 O 0.7530(4) -0.0740(5) 0.0367(3) 0.0527(14) Uani 1 1 d .
O54 O 0.6216(4) -0.2170(4) -0.0906(3) 0.0502(14) Uani 1 1 d .
P6 P 0.48253(12) 0.01840(13) 0.14431(11) 0.0291(4) Uani 1 1 d .
O61 O 0.5911(3) -0.0126(3) 0.1821(3) 0.0263(9) Uani 1 1 d .
O62 O 0.4227(4) -0.0793(4) 0.0613(3) 0.0457(12) Uani 1 1 d .
O63 O 0.5138(4) 0.0987(4) 0.1032(3) 0.0422(12) Uani 1 1 d .
O64 O 0.4209(4) 0.0483(4) 0.2206(3) 0.0471(14) Uani 1 1 d .
OW1 O 0.8905(6) 0.7586(5) 0.8445(5) 0.090(2) Uani 1 1 d .
OW2 O 0.9093(9) 0.1983(8) 0.0884(8) 0.145(4) Uani 1 1 d .
OW3 O 0.7777(9) -0.6780(7) 0.0897(8) 0.155(4) Uani 1 1 d .
OW4 O 0.5720(10) 0.3242(14) 1.0161(8) 0.256(11) Uani 1 1 d .
OW5 O 0.4908(17) 0.4265(15) 1.034(2) 0.163(11) Uani 0.50 1 d P
OW6 O 0.7569(5) 0.1369(5) 0.1731(4) 0.0692(18) Uani 1 1 d .
OW7 O 0.8966(5) 0.0133(6) -0.0283(5) 0.083(2) Uani 1 1 d .
OW8 O 0.7815(4) -0.0986(5) 0.7858(3) 0.0630(17) 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 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 '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_3
O13 Cu1 N2 161.18(18) .
O13 Cu1 N1 97.07(18) .
N2 Cu1 N1 79.8(2) .
O13 Cu1 N3 99.73(19) .
N2 Cu1 N3 79.6(2) .
N1 Cu1 N3 157.8(2) .
O13 Cu1 O24 100.19(16) 2_656
N2 Cu1 O24 98.61(17) 2_656
N1 Cu1 O24 101.87(17) 2_656
N3 Cu1 O24 89.41(17) 2_656
O14 Cu2 N5 156.7(2) .
O14 Cu2 N6 95.02(19) .
N5 Cu2 N6 80.2(2) .
O14 Cu2 N4 102.1(2) .
N5 Cu2 N4 79.9(2) .
N6 Cu2 N4 159.9(2) .
O14 Cu2 O32 98.46(17) 2_756
N5 Cu2 O32 104.43(19) 2_756
N6 Cu2 O32 91.28(17) 2_756
N4 Cu2 O32 96.52(18) 2_756
C1 N1 C5 119.1(5) .
C1 N1 Cu1 126.6(4) .
C5 N1 Cu1 114.3(4) .
N1 C1 C2 122.2(6) .
C1 C2 C3 119.1(7) .
C4 C3 C2 119.3(7) .
C3 C4 C5 118.6(7) .
N1 C5 C4 121.7(6) .
N1 C5 C6 114.3(5) .
C4 C5 C6 124.0(6) .
C10 N2 C6 123.4(5) .
C10 N2 Cu1 117.9(4) .
C6 N2 Cu1 118.7(4) .
N2 C6 C7 120.0(6) .
N2 C6 C5 112.9(5) .
C7 C6 C5 127.1(6) .
C8 C7 C6 118.4(7) .
C7 C8 C9 120.6(6) .
C8 C9 C10 119.0(6) .
N2 C10 C9 118.5(6) .
N2 C10 C11 113.5(5) .
C9 C10 C11 127.8(6) .
C11 N3 C15 120.1(5) .
C11 N3 Cu1 114.3(4) .
C15 N3 Cu1 125.3(4) .
N3 C11 C12 121.2(6) .
N3 C11 C10 113.8(5) .
C12 C11 C10 125.0(6) .
C11 C12 C13 118.7(7) .
C14 C13 C12 120.2(7) .
C13 C14 C15 119.9(7) .
N3 C15 C14 119.9(6) .
C16 N4 C20 117.8(6) .
C16 N4 Cu2 127.2(5) .
C20 N4 Cu2 114.4(5) .
N4 C16 C17 122.5(7) .
C18 C17 C16 119.0(7) .
C17 C18 C19 119.5(7) .
C18 C19 C20 119.3(7) .
N4 C20 C19 121.8(7) .
N4 C20 C21 112.6(6) .
C19 C20 C21 125.5(6) .
C21 N5 C25 122.8(5) .
C21 N5 Cu2 118.2(5) .
C25 N5 Cu2 118.3(4) .
N5 C21 C22 119.4(7) .
N5 C21 C20 113.9(6) .
C22 C21 C20 126.6(6) .
C23 C22 C21 118.9(7) .
C22 C23 C24 121.2(7) .
C25 C24 C23 117.0(7) .
N5 C25 C24 120.5(6) .
N5 C25 C26 112.8(5) .
C24 C25 C26 126.5(7) .
C30 N6 C26 119.0(5) .
C30 N6 Cu2 126.0(4) .
C26 N6 Cu2 113.7(4) .
N6 C26 C27 121.5(6) .
N6 C26 C25 113.2(6) .
C27 C26 C25 125.3(6) .
C26 C27 C28 119.2(6) .
C29 C28 C27 119.0(6) .
C28 C29 C30 119.2(6) .
N6 C30 C29 121.9(5) .
O11 C31 C36 106.3(4) .
O11 C31 C32 107.7(4) .
C36 C31 C32 109.7(5) .
O21 C32 C33 111.0(4) .
O21 C32 C31 107.7(4) .
C33 C32 C31 109.3(4) .
O31 C33 C32 109.1(4) .
O31 C33 C34 109.1(4) .
C32 C33 C34 109.3(4) .
O41 C34 C35 109.5(5) .
O41 C34 C33 107.6(4) .
C35 C34 C33 112.1(5) .
O51 C35 C34 109.3(5) .
O51 C35 C36 108.9(4) .
C34 C35 C36 110.4(5) .
O61 C36 C35 108.5(4) .
O61 C36 C31 109.3(5) .
C35 C36 C31 110.7(4) .
O13 P1 O14 116.7(2) .
O13 P1 O12 112.6(2) .
O14 P1 O12 107.1(3) .
O13 P1 O11 108.1(2) .
O14 P1 O11 106.7(2) .
O12 P1 O11 104.9(2) .
C31 O11 P1 123.8(3) .
P1 O13 Cu1 135.0(3) .
P1 O14 Cu2 144.0(3) .
O24 P2 O23 114.4(2) .
O24 P2 O22 114.3(2) .
O23 P2 O22 108.5(2) .
O24 P2 O21 111.0(2) .
O23 P2 O21 107.8(2) .
O22 P2 O21 99.7(2) .
C32 O21 P2 123.9(4) .
P2 O24 Cu1 140.3(2) 2_656
O32 P3 O34 115.7(2) .
O32 P3 O33 114.5(2) .
O34 P3 O33 104.7(2) .
O32 P3 O31 110.2(2) .
O34 P3 O31 106.5(2) .
O33 P3 O31 104.5(2) .
C33 O31 P3 122.5(3) .
P3 O32 Cu2 135.5(2) 2_756
O44 P4 O42 114.2(4) .
O44 P4 O43 110.1(3) .
O42 P4 O43 112.2(3) .
O44 P4 O41 108.4(2) .
O42 P4 O41 108.2(2) .
O43 P4 O41 103.2(3) .
C34 O41 P4 124.1(4) .
O53 P5 O52 115.3(3) .
O53 P5 O54 113.7(3) .
O52 P5 O54 107.3(3) .
O53 P5 O51 108.9(3) .
O52 P5 O51 110.1(3) .
O54 P5 O51 100.6(3) .
C35 O51 P5 120.8(4) .
O64 P6 O63 116.2(3) .
O64 P6 O62 110.5(3) .
O63 P6 O62 109.0(3) .
O64 P6 O61 110.8(2) .
O63 P6 O61 104.3(3) .
O62 P6 O61 105.3(2) .
C36 O61 P6 122.3(3) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O13 1.917(4) .
Cu1 N2 1.949(5) .
Cu1 N1 2.027(5) .
Cu1 N3 2.031(5) .
Cu1 O24 2.174(4) 2_656
Cu2 O14 1.906(4) .
Cu2 N5 1.934(5) .
Cu2 N6 2.030(5) .
Cu2 N4 2.034(6) .
Cu2 O32 2.144(4) 2_756
N1 C1 1.324(7) .
N1 C5 1.360(8) .
C1 C2 1.380(9) .
C2 C3 1.386(11) .
C3 C4 1.382(10) .
C4 C5 1.386(9) .
C5 C6 1.469(9) .
N2 C10 1.339(8) .
N2 C6 1.339(8) .
C6 C7 1.385(9) .
C7 C8 1.383(10) .
C8 C9 1.387(11) .
C9 C10 1.400(9) .
C10 C11 1.469(9) .
N3 C11 1.350(7) .
N3 C15 1.366(8) .
C11 C12 1.381(9) .
C12 C13 1.384(11) .
C13 C14 1.366(11) .
C14 C15 1.383(9) .
N4 C16 1.344(9) .
N4 C20 1.368(8) .
C16 C17 1.401(9) .
C17 C18 1.363(11) .
C18 C19 1.385(12) .
C19 C20 1.386(10) .
C20 C21 1.471(10) .
N5 C21 1.334(8) .
N5 C25 1.341(9) .
C21 C22 1.395(9) .
C22 C23 1.369(12) .
C23 C24 1.405(11) .
C24 C25 1.392(8) .
C25 C26 1.482(9) .
N6 C30 1.338(8) .
N6 C26 1.359(7) .
C26 C27 1.369(9) .
C27 C28 1.391(10) .
C28 C29 1.374(9) .
C29 C30 1.379(9) .
C31 O11 1.438(6) .
C31 C36 1.527(7) .
C31 C32 1.533(8) .
C32 O21 1.423(6) .
C32 C33 1.505(7) .
C33 O31 1.447(7) .
C33 C34 1.517(7) .
C34 O41 1.446(6) .
C34 C35 1.492(9) .
C35 O51 1.439(6) .
C35 C36 1.524(8) .
C36 O61 1.441(7) .
P1 O13 1.492(4) .
P1 O14 1.493(4) .
P1 O12 1.554(4) .
P1 O11 1.587(4) .
P2 O24 1.485(4) .
P2 O23 1.520(4) .
P2 O22 1.554(4) .
P2 O21 1.601(4) .
O24 Cu1 2.174(4) 2_656
P3 O32 1.480(4) .
P3 O34 1.537(4) .
P3 O33 1.543(4) .
P3 O31 1.587(4) .
O32 Cu2 2.144(4) 2_756
P4 O44 1.492(5) .
P4 O42 1.505(5) .
P4 O43 1.554(6) .
P4 O41 1.597(4) .
P5 O53 1.503(6) .
P5 O52 1.509(5) .
P5 O54 1.556(5) .
P5 O51 1.605(4) .
P6 O64 1.478(4) .
P6 O63 1.504(5) .
P6 O62 1.572(5) .
P6 O61 1.593(4) .
