#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:15:55 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179621 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/85/4508501.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_4508501
loop_
_publ_author_name
'Hu, Fei-Long'
'Wu, Wei'
'Liang, Peng'
'Gu, Yun-Qiong'
'Zhu, Li-Gang'
'Wei, Han'
'Lang, Jian-Ping'
_publ_section_title
;
 Construction of Entangled Coordination Polymers Based on M2+Ions,
 4,4′-{[1,2-Phenylenebis(methylene)]bis(oxy)}dibenzoate and
 Different N-Donor Ligands
;
_journal_issue                   11
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              5050
_journal_paper_doi               10.1021/cg401212s
_journal_volume                  13
_journal_year                    2013
_chemical_formula_sum            'C27 H20 Cu N O6'
_chemical_formula_weight         517.98
_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                 103.98(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.001(3)
_cell_length_b                   10.600(4)
_cell_length_c                   28.861(10)
_cell_measurement_reflns_used    6267
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23.21
_cell_measurement_theta_min      2.40
_cell_volume                     2375.2(15)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker 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 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0602
_diffrn_reflns_av_sigmaI/netI    0.0460
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            29202
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.45
_exptl_absorpt_coefficient_mu    0.963
_exptl_absorpt_correction_T_max  0.8307
_exptl_absorpt_correction_T_min  0.8234
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.449
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1064
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.383
_refine_diff_density_min         -0.452
_refine_diff_density_rms         0.069
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.134
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         4196
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.134
_refine_ls_R_factor_all          0.0744
_refine_ls_R_factor_gt           0.0516
_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)+(0.0369P)²+4.4183P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1139
_refine_ls_wR_factor_ref         0.1217
_reflns_number_gt                3203
_reflns_number_total             4196
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg401212s_si_002.cif
_cod_data_source_block           3
_cod_original_sg_symbol_H-M      p21/c
_cod_database_code               4508501
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 1.35795(6) 0.56055(5) -0.023725(18) 0.03062(17) Uani 1 1 d .
N1 N 1.1568(4) 0.7072(3) -0.03166(13) 0.0375(9) Uani 1 1 d .
O2 O 1.2932(4) 0.4874(3) 0.03209(11) 0.0417(7) Uani 1 1 d .
O3 O 1.5303(4) 0.3897(3) 0.07444(10) 0.0403(7) Uani 1 1 d .
O4 O 0.4956(4) -0.3100(3) 0.01870(11) 0.0420(8) Uani 1 1 d .
O5 O 0.7262(4) -0.4089(3) 0.06227(10) 0.0400(7) Uani 1 1 d .
O6 O 0.6872(4) 0.0985(3) 0.17892(11) 0.0471(8) Uani 1 1 d .
O7 O 1.0215(3) 0.3231(3) 0.20957(10) 0.0424(8) Uani 1 1 d .
C1 C 0.6240(6) -0.3156(4) 0.05343(15) 0.0354(10) Uani 1 1 d .
C2 C 0.6556(5) -0.2049(4) 0.08599(15) 0.0335(10) Uani 1 1 d .
C3 C 0.5464(6) -0.1013(4) 0.07570(16) 0.0404(11) Uani 1 1 d .
H3 H 0.4609 -0.0999 0.0474 0.049 Uiso 1 1 calc R
C4 C 0.5626(6) -0.0001(4) 0.10687(15) 0.0409(11) Uani 1 1 d .
H4 H 0.4899 0.0692 0.0993 0.049 Uiso 1 1 calc R
C5 C 0.6882(6) -0.0031(4) 0.14941(15) 0.0387(10) Uani 1 1 d .
C6 C 0.7996(6) -0.1040(4) 0.16005(17) 0.0459(12) Uani 1 1 d .
H6 H 0.8851 -0.1052 0.1883 0.055 Uiso 1 1 calc R
C7 C 0.7829(6) -0.2038(4) 0.12811(16) 0.0426(11) Uani 1 1 d .
H7 H 0.8590 -0.2714 0.1352 0.051 Uiso 1 1 calc R
C8 C 0.7983(6) 0.0947(4) 0.22616(15) 0.0459(12) Uani 1 1 d .
H8A H 0.9177 0.1007 0.2245 0.055 Uiso 1 1 calc R
H8B H 0.7830 0.0157 0.2416 0.055 Uiso 1 1 calc R
C9 C 0.7541(5) 0.2038(4) 0.25453(15) 0.0397(11) Uani 1 1 d .
C10 C 0.7778(5) 0.3291(4) 0.24274(15) 0.0380(11) Uani 1 1 d .
C11 C 0.7337(6) 0.4249(5) 0.27031(18) 0.0555(14) Uani 1 1 d .
H11 H 0.7489 0.5086 0.2625 0.067 Uiso 1 1 calc R
C12 C 0.6684(8) 0.3982(6) 0.3087(2) 0.0715(17) Uani 1 1 d .
H12 H 0.6398 0.4633 0.3270 0.086 Uiso 1 1 calc R
C13 C 0.6450(8) 0.2753(7) 0.3204(2) 0.0763(19) Uani 1 1 d .
H13 H 0.6010 0.2571 0.3467 0.092 Uiso 1 1 calc R
C14 C 0.6866(7) 0.1782(5) 0.29324(18) 0.0585(14) Uani 1 1 d .
H14 H 0.6689 0.0950 0.3011 0.070 Uiso 1 1 calc R
C15 C 0.8469(5) 0.3655(4) 0.20111(16) 0.0411(11) Uani 1 1 d .
H15A H 0.7783 0.3273 0.1722 0.049 Uiso 1 1 calc R
H15B H 0.8421 0.4564 0.1971 0.049 Uiso 1 1 calc R
C16 C 1.1030(5) 0.3525(4) 0.17451(15) 0.0364(10) Uani 1 1 d .
C17 C 1.2665(5) 0.3013(4) 0.17991(16) 0.0406(11) Uani 1 1 d .
H17 H 1.3146 0.2514 0.2062 0.049 Uiso 1 1 calc R
C18 C 1.3561(5) 0.3255(4) 0.14576(15) 0.0393(11) Uani 1 1 d .
H18 H 1.4650 0.2907 0.1490 0.047 Uiso 1 1 calc R
C19 C 1.2860(5) 0.4013(4) 0.10645(15) 0.0351(10) Uani 1 1 d .
C20 C 1.1261(5) 0.4524(4) 0.10275(15) 0.0413(11) Uani 1 1 d .
H20 H 1.0789 0.5043 0.0769 0.050 Uiso 1 1 calc R
C21 C 1.0342(5) 0.4290(4) 0.13604(15) 0.0423(11) Uani 1 1 d .
H21 H 0.9257 0.4646 0.1327 0.051 Uiso 1 1 calc R
C22 C 1.3766(5) 0.4275(4) 0.06826(15) 0.0347(10) Uani 1 1 d .
C23 C 1.1752(7) 0.8125(5) -0.05332(19) 0.0597(15) Uani 1 1 d .
H23 H 1.2335 0.8092 -0.0775 0.072 Uiso 1 1 calc R
C24 C 1.1142(7) 0.9288(5) -0.0429(2) 0.0650(16) Uani 1 1 d .
H24 H 1.1307 0.9999 -0.0601 0.078 Uiso 1 1 calc R
C25 C 1.0300(5) 0.9384(4) -0.00727(17) 0.0413(11) Uani 1 1 d .
C26 C 1.0045(8) 0.8268(5) 0.0135(2) 0.0729(19) Uani 1 1 d .
H26 H 0.9427 0.8262 0.0370 0.087 Uiso 1 1 calc R
C27 C 1.0680(7) 0.7157(5) 0.0006(2) 0.0664(17) Uani 1 1 d .
H27 H 1.0465 0.6421 0.0157 0.080 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'
Cu Cu 0.3201 1.2651 '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'
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
O3 Cu1 O2 167.00(12) 3_865 .
O3 Cu1 O5 87.33(13) 3_865 3_755
O2 Cu1 O5 91.09(13) . 3_755
O3 Cu1 O4 89.40(13) 3_865 1_665
O2 Cu1 O4 89.08(13) . 1_665
O5 Cu1 O4 166.16(12) 3_755 1_665
O3 Cu1 N1 100.69(13) 3_865 .
O2 Cu1 N1 91.88(13) . .
O5 Cu1 N1 111.89(13) 3_755 .
O4 Cu1 N1 81.93(13) 1_665 .
O3 Cu1 Cu1 91.54(9) 3_865 3_865
O2 Cu1 Cu1 75.60(9) . 3_865
O5 Cu1 Cu1 91.70(9) 3_755 3_865
O4 Cu1 Cu1 74.94(9) 1_665 3_865
N1 Cu1 Cu1 153.70(10) . 3_865
C27 N1 C23 115.3(4) . .
C27 N1 Cu1 119.0(3) . .
C23 N1 Cu1 119.2(3) . .
C22 O2 Cu1 133.1(3) . .
C22 O3 Cu1 114.4(3) . 3_865
C1 O4 Cu1 133.4(3) . 1_445
C1 O5 Cu1 113.9(3) . 3_755
C5 O6 C8 118.1(3) . .
C16 O7 C15 115.0(3) . .
O4 C1 O5 124.2(4) . .
O4 C1 C2 116.8(4) . .
O5 C1 C2 119.0(4) . .
C7 C2 C3 118.2(4) . .
C7 C2 C1 122.6(4) . .
C3 C2 C1 119.1(4) . .
C4 C3 C2 121.1(4) . .
C4 C3 H3 119.4 . .
C2 C3 H3 119.4 . .
C5 C4 C3 119.5(4) . .
C5 C4 H4 120.3 . .
C3 C4 H4 120.3 . .
O6 C5 C6 124.8(4) . .
O6 C5 C4 114.8(4) . .
C6 C5 C4 120.4(4) . .
C5 C6 C7 119.3(4) . .
C5 C6 H6 120.3 . .
C7 C6 H6 120.3 . .
C2 C7 C6 121.5(4) . .
C2 C7 H7 119.3 . .
C6 C7 H7 119.3 . .
O6 C8 C9 108.7(4) . .
O6 C8 H8A 109.9 . .
C9 C8 H8A 109.9 . .
O6 C8 H8B 109.9 . .
C9 C8 H8B 109.9 . .
H8A C8 H8B 108.3 . .
C14 C9 C10 119.1(4) . .
C14 C9 C8 118.6(4) . .
C10 C9 C8 122.3(4) . .
C11 C10 C9 119.3(4) . .
C11 C10 C15 117.9(4) . .
C9 C10 C15 122.8(4) . .
C12 C11 C10 120.9(5) . .
C12 C11 H11 119.5 . .
C10 C11 H11 119.5 . .
C11 C12 C13 120.0(5) . .
C11 C12 H12 120.0 . .
C13 C12 H12 120.0 . .
C12 C13 C14 120.2(5) . .
C12 C13 H13 119.9 . .
C14 C13 H13 119.9 . .
C9 C14 C13 120.5(5) . .
C9 C14 H14 119.7 . .
C13 C14 H14 119.7 . .
O7 C15 C10 108.5(3) . .
O7 C15 H15A 110.0 . .
C10 C15 H15A 110.0 . .
O7 C15 H15B 110.0 . .
C10 C15 H15B 110.0 . .
H15A C15 H15B 108.4 . .
O7 C16 C21 124.2(4) . .
O7 C16 C17 115.6(4) . .
C21 C16 C17 120.1(4) . .
C18 C17 C16 119.1(4) . .
C18 C17 H17 120.5 . .
C16 C17 H17 120.5 . .
C17 C18 C19 121.0(4) . .
C17 C18 H18 119.5 . .
C19 C18 H18 119.5 . .
C20 C19 C18 118.4(4) . .
C20 C19 C22 118.8(4) . .
C18 C19 C22 122.7(4) . .
C21 C20 C19 121.7(4) . .
C21 C20 H20 119.2 . .
C19 C20 H20 119.2 . .
C20 C21 C16 119.7(4) . .
C20 C21 H21 120.1 . .
C16 C21 H21 120.1 . .
O3 C22 O2 125.2(4) . .
O3 C22 C19 117.9(4) . .
O2 C22 C19 116.9(4) . .
N1 C23 C24 124.7(4) . .
N1 C23 H23 117.6 . .
C24 C23 H23 117.6 . .
C25 C24 C23 119.7(4) . .
C25 C24 H24 120.1 . .
C23 C24 H24 120.1 . .
C24 C25 C26 114.9(4) . .
C24 C25 C25 122.1(5) . 3_775
C26 C25 C25 123.0(5) . 3_775
C25 C26 C27 121.4(4) . .
C25 C26 H26 119.3 . .
C27 C26 H26 119.3 . .
N1 C27 C26 123.8(4) . .
N1 C27 H27 118.1 . .
C26 C27 H27 118.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O3 1.963(3) 3_865
Cu1 O2 1.966(3) .
Cu1 O5 1.978(3) 3_755
Cu1 O4 1.986(3) 1_665
Cu1 N1 2.209(3) .
Cu1 Cu1 2.6807(12) 3_865
N1 C27 1.303(6) .
N1 C23 1.305(6) .
O2 C22 1.266(5) .
O3 C22 1.265(5) .
O3 Cu1 1.963(3) 3_865
O4 C1 1.251(5) .
O4 Cu1 1.986(3) 1_445
O5 C1 1.270(5) .
O5 Cu1 1.978(3) 3_755
O6 C5 1.374(5) .
O6 C8 1.437(5) .
O7 C16 1.366(5) .
O7 C15 1.431(5) .
C1 C2 1.486(6) .
C2 C7 1.385(6) .
C2 C3 1.390(6) .
C3 C4 1.386(6) .
C3 H3 0.9300 .
C4 C5 1.386(6) .
C4 H4 0.9300 .
C5 C6 1.379(6) .
C6 C7 1.389(6) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 C9 1.507(6) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 C14 1.381(6) .
C9 C10 1.396(6) .
C10 C11 1.387(6) .
C10 C15 1.490(6) .
C11 C12 1.365(7) .
C11 H11 0.9300 .
C12 C13 1.369(8) .
C12 H12 0.9300 .
C13 C14 1.382(7) .
C13 H13 0.9300 .
C14 H14 0.9300 .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 C21 1.378(6) .
C16 C17 1.390(6) .
C17 C18 1.376(6) .
C17 H17 0.9300 .
C18 C19 1.393(6) .
C18 H18 0.9300 .
C19 C20 1.370(6) .
C19 C22 1.484(5) .
C20 C21 1.366(6) .
C20 H20 0.9300 .
C21 H21 0.9300 .
C23 C24 1.386(6) .
C23 H23 0.9300 .
C24 C25 1.362(6) .
C24 H24 0.9300 .
C25 C26 1.363(6) .
C25 C25 1.487(8) 3_775
C26 C27 1.370(7) .
C26 H26 0.9300 .
C27 H27 0.9300 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O3 Cu1 N1 C27 -171.0(4) 3_865 .
O2 Cu1 N1 C27 5.7(4) . .
O5 Cu1 N1 C27 97.6(4) 3_755 .
O4 Cu1 N1 C27 -83.1(4) 1_665 .
Cu1 Cu1 N1 C27 -54.7(5) 3_865 .
O3 Cu1 N1 C23 -20.8(4) 3_865 .
O2 Cu1 N1 C23 155.9(4) . .
O5 Cu1 N1 C23 -112.2(4) 3_755 .
O4 Cu1 N1 C23 67.1(4) 1_665 .
Cu1 Cu1 N1 C23 95.5(4) 3_865 .
O3 Cu1 O2 C22 13.7(8) 3_865 .
O5 Cu1 O2 C22 96.5(4) 3_755 .
O4 Cu1 O2 C22 -69.6(4) 1_665 .
N1 Cu1 O2 C22 -151.5(4) . .
Cu1 Cu1 O2 C22 5.1(4) 3_865 .
Cu1 O4 C1 O5 19.6(6) 1_445 .
Cu1 O4 C1 C2 -160.1(3) 1_445 .
Cu1 O5 C1 O4 -11.2(5) 3_755 .
Cu1 O5 C1 C2 168.5(3) 3_755 .
O4 C1 C2 C7 173.6(4) . .
O5 C1 C2 C7 -6.1(6) . .
O4 C1 C2 C3 -1.9(6) . .
O5 C1 C2 C3 178.4(4) . .
C7 C2 C3 C4 -0.7(7) . .
C1 C2 C3 C4 175.0(4) . .
C2 C3 C4 C5 -1.0(7) . .
C8 O6 C5 C6 -6.3(7) . .
C8 O6 C5 C4 172.1(4) . .
C3 C4 C5 O6 -176.5(4) . .
C3 C4 C5 C6 2.0(7) . .
O6 C5 C6 C7 177.2(4) . .
C4 C5 C6 C7 -1.2(7) . .
C3 C2 C7 C6 1.6(7) . .
C1 C2 C7 C6 -174.0(4) . .
C5 C6 C7 C2 -0.7(7) . .
C5 O6 C8 C9 -170.4(4) . .
O6 C8 C9 C14 114.6(5) . .
O6 C8 C9 C10 -64.9(6) . .
C14 C9 C10 C11 0.3(7) . .
C8 C9 C10 C11 179.8(4) . .
C14 C9 C10 C15 -178.9(4) . .
C8 C9 C10 C15 0.5(7) . .
C9 C10 C11 C12 0.2(7) . .
C15 C10 C11 C12 179.5(5) . .
C10 C11 C12 C13 -0.2(9) . .
C11 C12 C13 C14 -0.3(10) . .
C10 C9 C14 C13 -0.9(8) . .
C8 C9 C14 C13 179.7(5) . .
C12 C13 C14 C9 0.9(9) . .
C16 O7 C15 C10 -178.7(4) . .
C11 C10 C15 O7 115.2(5) . .
C9 C10 C15 O7 -65.6(5) . .
C15 O7 C16 C21 7.1(6) . .
C15 O7 C16 C17 -173.9(4) . .
O7 C16 C17 C18 179.3(4) . .
C21 C16 C17 C18 -1.7(7) . .
C16 C17 C18 C19 0.7(7) . .
C17 C18 C19 C20 0.6(7) . .
C17 C18 C19 C22 -178.6(4) . .
C18 C19 C20 C21 -1.1(7) . .
C22 C19 C20 C21 178.2(4) . .
C19 C20 C21 C16 0.2(7) . .
O7 C16 C21 C20 -179.8(4) . .
C17 C16 C21 C20 1.2(7) . .
Cu1 O3 C22 O2 3.2(5) 3_865 .
Cu1 O3 C22 C19 -176.1(3) 3_865 .
Cu1 O2 C22 O3 -7.0(7) . .
Cu1 O2 C22 C19 172.4(3) . .
C20 C19 C22 O3 173.4(4) . .
C18 C19 C22 O3 -7.3(6) . .
C20 C19 C22 O2 -6.0(6) . .
C18 C19 C22 O2 173.3(4) . .
C27 N1 C23 C24 2.8(9) . .
Cu1 N1 C23 C24 -148.5(5) . .
N1 C23 C24 C25 0.8(10) . .
C23 C24 C25 C26 -3.7(8) . .
C23 C24 C25 C25 176.6(6) . 3_775
C24 C25 C26 C27 3.2(9) . .
C25 C25 C26 C27 -177.2(6) 3_775 .
C23 N1 C27 C26 -3.4(9) . .
Cu1 N1 C27 C26 147.9(5) . .
C25 C26 C27 N1 0.4(10) . .
