##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in          #
# Acta Crystallographica Section C. It conforms to the requirements of       #
# Notes for Authors for Acta Crystallographica Section C, and has been       #
# peer reviewed under the auspices of the IUCr Commission on Journals.       #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic.                                       #
#                                                                            #
# Software is freely available for graphical display of the structure(s)     #
# in this CIF. For information consult the CIF software page                 #
# http://www.iucr.org/resources/cif/software.                                #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the journal # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
data_I
_audit_creation_method     'SHELXL-2018/3'
_chemical_name_systematic
;\
Poly[[μ-chlorido-[μ₅-5,10,15,20-tetrakis(pyridin-4-yl)-\
21H,23H-porphine]tricopper(I)]
[aquadichloridocopper(II)]]
;
_chemical_name_common     '[Cu3Cl(porphyridine)]nn(CuCl2H2O)'
_chemical_formula_moiety     '[Cu3Cl(porphyridine)]nn(CuCl2H2O)'
_chemical_formula_sum     'C40 H26 Cl3 Cu4 N8 O1'
_chemical_formula_iupac     '[Cu3 (C40 H24 N8) Cl] [Cu Cl2 (H2 O)]'
_chemical_formula_weight     995.20
_chemical_melting_point     ?
_space_group_crystal_system     monoclinic
_space_group_name_H-M_alt     'P 21/n'
_space_group_name_Hall     '-P 2yn'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x+1/2, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x-1/2, -y-1/2, z-1/2'
_cell_length_a     8.2443(5)
_cell_length_b     20.2354(12)
_cell_length_c     21.6180(10)
_cell_angle_alpha     90
_cell_angle_beta     91.389(4)
_cell_angle_gamma     90
_cell_volume     3605.4(3)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     4525
_cell_measurement_theta_min     3.5570
_cell_measurement_theta_max     28.4920
_cell_measurement_temperature     293(2)
_exptl_crystal_description     needle-like
_exptl_crystal_colour     purple
_exptl_crystal_size_max     0.11
_exptl_crystal_size_mid     0.02
_exptl_crystal_size_min     0.02
_exptl_crystal_density_diffrn     1.833
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1988
_exptl_absorpt_coefficient_mu     2.598
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Rigaku OD, 2015)
;
_exptl_absorpt_correction_T_min     0.951
_exptl_absorpt_correction_T_max     0.959
_diffrn_ambient_temperature     293(2)
_diffrn_source     'micro-focus sealed X-ray tube'
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_measurement_device_type     'Rigaku SuperNova (Mo) X-ray Source'
_diffrn_measurement_method     'ω scans'
_diffrn_detector_area_resol_mean     16.1787
_diffrn_reflns_number     21307
_diffrn_reflns_av_R_equivalents     0.0499
_diffrn_reflns_av_unetI/netI     0.0746
_diffrn_reflns_theta_min     3.302
_diffrn_reflns_theta_max     25.497
_diffrn_reflns_theta_full     25.242
_diffrn_measured_fraction_theta_max     0.998
_diffrn_measured_fraction_theta_full     0.998
_diffrn_reflns_limit_h_min     -9
_diffrn_reflns_limit_h_max     9
_diffrn_reflns_limit_k_min     -24
_diffrn_reflns_limit_k_max     15
_diffrn_reflns_limit_l_min     -26
_diffrn_reflns_limit_l_max     26
_refine_special_details     ?
_reflns_number_total     6685
_reflns_number_gt     4170
_reflns_threshold_expression     'I > 2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.1264
_refine_ls_R_factor_gt     0.0776
_refine_ls_wR_factor_gt     0.1994
_refine_ls_wR_factor_ref     0.2306
_refine_ls_goodness_of_fit_ref     1.050
_refine_ls_restrained_S_all     1.050
_refine_ls_number_reflns     6685
_refine_ls_number_parameters     509
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
             'w=1/[σ²(Fo²)+(0.0999P)²+15.3236P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary     ?
_refine_ls_shift/su_max     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     1.179
_refine_diff_density_min     -1.630
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     .
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'
    'Cl' 'Cl' 0.1484 0.1585
                         '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'
_computing_data_collection
;
CrysAlis PRO (Rigaku OD, 2015)
;
_computing_cell_refinement
;
CrysAlis PRO (Rigaku OD, 2015)
;
_computing_data_reduction
;
CrysAlis PRO (Rigaku OD, 2015)
;
_computing_structure_solution
;
SHELXT2018 (Sheldrick, 2015a)
;
_computing_structure_refinement
;
SHELXL2018 (Sheldrick, 2015b)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg & Putz, 2005)
;
_computing_publication_material
;
SHELXL2018 (Sheldrick, 2015b) and publCIF (Westrip, 2010)
;
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Cu Cu1 0.76892(10) 0.49705(4) 0.56839(4) 0.0327(3) Uani d 1 . .
    Cu Cu2 1.12265(14) 0.94928(6) 0.62290(5) 0.0508(3) Uani d 1 . .
    Cu Cu3 0.40410(17) 0.04858(7) 0.51300(5) 0.0700(4) Uani d 1 . .
    Cu Cu4 -0.0071(5) 0.2191(2) 0.7407(2) 0.1053(10) Uani d 0.515(3) . .
    Cu Cu4B 0.0519(5) 0.2392(2) 0.7759(3) 0.1053(10) Uani d 0.485(3) . .
    Cl Cl1 1.1677(3) 1.03123(15) 0.56000(13) 0.0763(8) Uani d 1 . .
    Cl Cl2 -0.0585(5) 0.2674(2) 0.8402(2) 0.1323(17) Uani d 1 . .
    Cl Cl3 0.0136(12) 0.1815(5) 0.6528(6) 0.335(7) Uani d 1 . .
    N N1 0.7360(7) 0.4246(3) 0.6294(2) 0.0324(14) Uani d 1 . .
    N N2 0.8264(7) 0.5588(3) 0.6379(3) 0.0356(15) Uani d 1 . .
    N N3 0.8191(7) 0.5673(3) 0.5069(3) 0.0354(14) Uani d 1 . .
    N N4 0.6941(7) 0.4378(3) 0.4999(3) 0.0346(14) Uani d 1 . .
    N N5 0.4979(9) 0.1341(3) 0.5416(3) 0.0431(16) Uani d 1 . .
    N N6 0.8867(8) 0.4723(3) 0.9224(3) 0.0444(17) Uani d 1 . .
    N N7 1.0606(9) 0.8572(4) 0.5999(3) 0.0475(17) Uani d 1 . .
    N N8 0.6627(8) 0.5338(3) 0.2139(3) 0.0391(15) Uani d 1 . .
    C C1 0.6404(9) 0.3372(4) 0.5594(3) 0.0370(18) Uani d 1 . .
    C C2 0.6960(9) 0.3592(4) 0.6166(3) 0.0369(18) Uani d 1 . .
    C C3 0.7077(9) 0.3206(4) 0.6715(3) 0.0400(18) Uani d 1 . .
    H H3A 0.688652 0.275421 0.674572 0.048 Uiso calc 1 . .
    C C4 0.7516(10) 0.3614(4) 0.7182(3) 0.0421(19) Uani d 1 . .
    H H4A 0.768449 0.349569 0.759375 0.051 Uiso calc 1 . .
    C C5 0.7675(9) 0.4263(4) 0.6928(3) 0.0356(17) Uani d 1 . .
    C C6 0.7989(9) 0.4841(4) 0.7266(3) 0.0339(17) Uani d 1 . .
    C C7 0.8188(9) 0.5464(4) 0.7007(3) 0.0350(17) Uani d 1 . .
    C C8 0.8495(10) 0.6061(4) 0.7340(4) 0.045(2) Uani d 1 . .
    H H8A 0.849145 0.611096 0.776738 0.054 Uiso calc 1 . .
    C C9 0.8787(10) 0.6534(4) 0.6931(3) 0.045(2) Uani d 1 . .
    H H9A 0.902110 0.697389 0.701987 0.054 Uiso calc 1 . .
    C C10 0.8677(9) 0.6243(4) 0.6328(3) 0.0343(17) Uani d 1 . .
    C C11 0.9013(9) 0.6568(4) 0.5779(3) 0.0346(17) Uani d 1 . .
    C C12 0.8840(9) 0.6289(4) 0.5192(3) 0.0364(17) Uani d 1 . .
    C C13 0.9284(9) 0.6601(4) 0.4624(4) 0.044(2) Uani d 1 . .
    H H13A 0.977213 0.701252 0.458504 0.053 Uiso calc 1 . .
    C C14 0.8863(10) 0.6187(4) 0.4158(3) 0.0414(19) Uani d 1 . .
    H H14A 0.902630 0.625620 0.373874 0.050 Uiso calc 1 . .
    C C15 0.8109(9) 0.5614(4) 0.4433(3) 0.0331(16) Uani d 1 . .
    C C16 0.7355(9) 0.5107(4) 0.4100(3) 0.0361(17) Uani d 1 . .
    C C17 0.6744(9) 0.4542(4) 0.4378(3) 0.0351(17) Uani d 1 . .
    C C18 0.5861(9) 0.4019(4) 0.4068(3) 0.042(2) Uani d 1 . .
    H H18A 0.552109 0.401870 0.365487 0.051 Uiso calc 1 . .
    C C19 0.5614(10) 0.3532(4) 0.4478(4) 0.044(2) Uani d 1 . .
    H H19A 0.508799 0.313285 0.440106 0.052 Uiso calc 1 . .
    C C20 0.6320(9) 0.3748(4) 0.5060(3) 0.0359(17) Uani d 1 . .
    C C21 0.6333(11) 0.1569(5) 0.5170(4) 0.051(2) Uani d 1 . .
    H H21A 0.696696 0.128006 0.494526 0.061 Uiso calc 1 . .
    C C22 0.6830(10) 0.2206(4) 0.5234(4) 0.048(2) Uani d 1 . .
    H H22A 0.780812 0.233751 0.506665 0.058 Uiso calc 1 . .
    C C23 0.5895(10) 0.2663(4) 0.5544(3) 0.0410(19) Uani d 1 . .
    C C24 0.4509(10) 0.2414(4) 0.5822(4) 0.047(2) Uani d 1 . .
    H H24A 0.386756 0.268780 0.605983 0.056 Uiso calc 1 . .
    C C25 0.4102(11) 0.1764(5) 0.5740(4) 0.048(2) Uani d 1 . .
    H H25A 0.316235 0.160961 0.592022 0.058 Uiso calc 1 . .
    C C26 0.9739(10) 0.4376(4) 0.8832(3) 0.044(2) Uani d 1 . .
    H H26A 1.057005 0.410967 0.898943 0.053 Uiso calc 1 . .
    C C27 0.9463(9) 0.4395(4) 0.8193(3) 0.0392(18) Uani d 1 . .
    H H27A 1.010850 0.414929 0.793210 0.047 Uiso calc 1 . .
    C C28 0.8216(9) 0.4784(4) 0.7951(3) 0.0346(17) Uani d 1 . .
    C C29 0.7263(9) 0.5121(4) 0.8376(3) 0.0417(19) Uani d 1 . .
    H H29A 0.638385 0.537241 0.823714 0.050 Uiso calc 1 . .
    C C30 0.7627(10) 0.5079(4) 0.8996(4) 0.0424(19) Uani d 1 . .
    H H30A 0.698234 0.530834 0.927045 0.051 Uiso calc 1 . .
    C C31 1.1435(10) 0.8069(4) 0.6248(3) 0.044(2) Uani d 1 . .
    H H31A 1.236726 0.816038 0.648300 0.052 Uiso calc 1 . .
    C C32 1.0978(9) 0.7423(4) 0.6174(3) 0.0424(19) Uani d 1 . .
    H H32A 1.160637 0.709048 0.635436 0.051 Uiso calc 1 . .
    C C33 0.9594(9) 0.7259(4) 0.5834(3) 0.0397(19) Uani d 1 . .
    C C34 0.8755(11) 0.7793(4) 0.5558(4) 0.050(2) Uani d 1 . .
    H H34A 0.783328 0.771626 0.531151 0.059 Uiso calc 1 . .
    C C35 0.9303(11) 0.8427(4) 0.5652(4) 0.049(2) Uani d 1 . .
    H H35A 0.873258 0.877192 0.546364 0.059 Uiso calc 1 . .
    C C36 0.6198(9) 0.5809(4) 0.2541(3) 0.044(2) Uani d 1 . .
    H H36A 0.572829 0.619447 0.238615 0.053 Uiso calc 1 . .
    C C37 0.6423(9) 0.5745(4) 0.3174(3) 0.0394(18) Uani d 1 . .
    H H37A 0.608687 0.608091 0.343525 0.047 Uiso calc 1 . .
    C C38 0.7155(9) 0.5177(4) 0.3421(3) 0.0360(17) Uani d 1 . .
    C C39 0.7622(10) 0.4691(4) 0.2997(3) 0.0427(19) Uani d 1 . .
    H H39A 0.813245 0.430585 0.313187 0.051 Uiso calc 1 . .
    C C40 0.7307(10) 0.4798(4) 0.2378(3) 0.043(2) Uani d 1 . .
    H H40A 0.759326 0.446586 0.210418 0.052 Uiso calc 1 . .
    O O1W 0.2319(19) 0.2180(10) 0.7127(6) 0.206(7) Uani d 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Cu1 N1 . 1.994(6) y
    Cu1 N2 . 2.003(6) y
    Cu1 N3 . 1.997(6) y
    Cu1 N4 . 1.992(6) y
    Cu2 N7 . 1.991(7) y
    Cu2 N8 4_676 2.017(6) y
    Cu2 Cl1 . 2.182(3) y
    Cu3 N5 . 1.988(6) y
    Cu3 N6 4_565 2.005(6) y
    Cu3 Cl1 1_445 2.247(3) y
    Cu3 Cu3 3_656 2.593(3) y
    Cu4 Cl2 . 2.408(8) y
    Cu4 Cu4B . 0.982(5) ?
    Cu4 Cl3 . 2.058(14) y
    Cu4 O1W . 2.076(15) y
    Cu4B Cl2 . 1.772(7) ?
    Cu4B O1W . 2.087(14) ?
    N1 C5 . 1.388(9) ?
    N1 C2 . 1.391(9) ?
    N2 C10 . 1.373(9) ?
    N2 C7 . 1.383(9) ?
    N3 C12 . 1.379(10) ?
    N3 C15 . 1.380(9) ?
    N4 C20 . 1.382(9) ?
    N4 C17 . 1.387(9) ?
    N5 C25 . 1.330(11) ?
    N5 C21 . 1.331(11) ?
    N6 C26 . 1.326(10) ?
    N6 C30 . 1.334(10) ?
    N7 C35 . 1.328(10) ?
    N7 C31 . 1.333(11) ?
    N8 C40 . 1.326(10) ?
    N8 C36 . 1.341(10) ?
    C1 C20 . 1.382(10) ?
    C1 C2 . 1.383(10) ?
    C1 C23 . 1.498(11) ?
    C2 C3 . 1.421(10) ?
    C3 C4 . 1.347(11) ?
    C3 H3A . 0.9300 ?
    C4 C5 . 1.431(11) ?
    C4 H4A . 0.9300 ?
    C5 C6 . 1.400(10) ?
    C6 C7 . 1.390(11) ?
    C6 C28 . 1.493(9) ?
    C7 C8 . 1.427(11) ?
    C8 C9 . 1.329(11) ?
    C8 H8A . 0.9300 ?
    C9 C10 . 1.431(10) ?
    C9 H9A . 0.9300 ?
    C10 C11 . 1.391(10) ?
    C11 C12 . 1.395(10) ?
    C11 C33 . 1.481(11) ?
    C12 C13 . 1.435(10) ?
    C13 C14 . 1.349(11) ?
    C13 H13A . 0.9300 ?
    C14 C15 . 1.450(10) ?
    C14 H14A . 0.9300 ?
    C15 C16 . 1.392(10) ?
    C16 C17 . 1.392(11) ?
    C16 C38 . 1.480(10) ?
    C17 C18 . 1.440(11) ?
    C18 C19 . 1.344(11) ?
    C18 H18A . 0.9300 ?
    C19 C20 . 1.441(10) ?
    C19 H19A . 0.9300 ?
    C21 C22 . 1.358(12) ?
    C21 H21A . 0.9300 ?
    C22 C23 . 1.388(11) ?
    C22 H22A . 0.9300 ?
    C23 C24 . 1.398(11) ?
    C24 C25 . 1.368(12) ?
    C24 H24A . 0.9300 ?
    C25 H25A . 0.9300 ?
    C26 C27 . 1.394(10) ?
    C26 H26A . 0.9300 ?
    C27 C28 . 1.387(10) ?
    C27 H27A . 0.9300 ?
    C28 C29 . 1.399(11) ?
    C29 C30 . 1.369(11) ?
    C29 H29A . 0.9300 ?
    C30 H30A . 0.9300 ?
    C31 C32 . 1.367(11) ?
    C31 H31A . 0.9300 ?
    C32 C33 . 1.382(10) ?
    C32 H32A . 0.9300 ?
    C33 C34 . 1.408(12) ?
    C34 C35 . 1.374(12) ?
    C34 H34A . 0.9300 ?
    C35 H35A . 0.9300 ?
    C36 C37 . 1.382(10) ?
    C36 H36A . 0.9300 ?
    C37 C38 . 1.399(11) ?
    C37 H37A . 0.9300 ?
    C38 C39 . 1.404(11) ?
    C39 C40 . 1.374(11) ?
    C39 H39A . 0.9300 ?
    C40 H40A . 0.9300 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    N4 Cu1 N1 . . 90.3(2) y
    N4 Cu1 N3 . . 89.9(2) y
    N1 Cu1 N3 . . 175.7(2) y
    N4 Cu1 N2 . . 175.6(2) y
    N1 Cu1 N2 . . 89.7(2) y
    N3 Cu1 N2 . . 90.4(2) y
    N7 Cu2 N8 . 4_676 115.9(3) y
    N7 Cu2 Cl1 . . 127.0(2) y
    N8 Cu2 Cl1 4_676 . 116.9(2) y
    N5 Cu3 N6 . 4_565 120.4(3) y
    N5 Cu3 Cl1 . 1_445 109.3(2) y
    N6 Cu3 Cl1 4_565 1_445 111.5(2) y
    N5 Cu3 Cu3 . 3_656 119.5(2) ?
    N6 Cu3 Cu3 4_565 3_656 70.0(2) ?
    Cl1 Cu3 Cu3 1_445 3_656 121.31(11) ?
    Cu4B Cu4 Cl3 . . 144.9(6) ?
    Cu4B Cu4 O1W . . 77.0(6) ?
    Cl3 Cu4 O1W . . 68.0(5) y
    Cu4B Cu4 Cl2 . . 40.0(4) ?
    Cl3 Cu4 Cl2 . . 174.1(4) y
    O1W Cu4 Cl2 . . 117.0(5) y
    Cu4 Cu4B Cl2 . . 119.1(5) ?
    Cu4 Cu4B O1W . . 75.8(7) ?
    Cl2 Cu4B O1W . . 165.1(6) ?
    Cu2 Cl1 Cu3 . 1_665 124.26(14) y
    Cu4B Cl2 Cu4 . . 20.87(16) ?
    C5 N1 C2 . . 104.9(6) ?
    C5 N1 Cu1 . . 127.5(5) ?
    C2 N1 Cu1 . . 127.1(5) ?
    C10 N2 C7 . . 105.8(6) ?
    C10 N2 Cu1 . . 126.6(5) ?
    C7 N2 Cu1 . . 127.4(5) ?
    C12 N3 C15 . . 106.2(6) ?
    C12 N3 Cu1 . . 126.9(5) ?
    C15 N3 Cu1 . . 126.5(5) ?
    C20 N4 C17 . . 106.2(6) ?
    C20 N4 Cu1 . . 126.3(5) ?
    C17 N4 Cu1 . . 127.0(5) ?
    C25 N5 C21 . . 117.3(7) ?
    C25 N5 Cu3 . . 120.8(6) ?
    C21 N5 Cu3 . . 120.1(6) ?
    C26 N6 C30 . . 118.2(7) ?
    C26 N6 Cu3 . 4_666 119.0(5) ?
    C30 N6 Cu3 . 4_666 120.7(5) ?
    C35 N7 C31 . . 117.3(7) ?
    C35 N7 Cu2 . . 123.2(6) ?
    C31 N7 Cu2 . . 119.3(6) ?
    C40 N8 C36 . . 116.7(6) ?
    C40 N8 Cu2 . 4_575 125.2(5) ?
    C36 N8 Cu2 . 4_575 118.1(5) ?
    C20 C1 C2 . . 125.4(7) ?
    C20 C1 C23 . . 117.3(6) ?
    C2 C1 C23 . . 117.3(7) ?
    C1 C2 N1 . . 123.7(7) ?
    C1 C2 C3 . . 125.8(7) ?
    N1 C2 C3 . . 110.3(6) ?
    C4 C3 C2 . . 107.4(7) ?
    C4 C3 H3A . . 126.3 ?
    C2 C3 H3A . . 126.3 ?
    C3 C4 C5 . . 107.5(7) ?
    C3 C4 H4A . . 126.2 ?
    C5 C4 H4A . . 126.2 ?
    N1 C5 C6 . . 124.3(7) ?
    N1 C5 C4 . . 109.8(7) ?
    C6 C5 C4 . . 125.7(7) ?
    C7 C6 C5 . . 124.6(7) ?
    C7 C6 C28 . . 117.2(7) ?
    C5 C6 C28 . . 118.1(7) ?
    N2 C7 C6 . . 124.7(7) ?
    N2 C7 C8 . . 109.2(7) ?
    C6 C7 C8 . . 125.9(7) ?
    C9 C8 C7 . . 107.9(7) ?
    C9 C8 H8A . . 126.0 ?
    C7 C8 H8A . . 126.0 ?
    C8 C9 C10 . . 107.5(7) ?
    C8 C9 H9A . . 126.2 ?
    C10 C9 H9A . . 126.2 ?
    N2 C10 C11 . . 125.5(7) ?
    N2 C10 C9 . . 109.5(6) ?
    C11 C10 C9 . . 124.9(7) ?
    C10 C11 C12 . . 124.5(7) ?
    C10 C11 C33 . . 116.7(6) ?
    C12 C11 C33 . . 118.8(6) ?
    N3 C12 C11 . . 124.9(7) ?
    N3 C12 C13 . . 109.8(6) ?
    C11 C12 C13 . . 125.3(7) ?
    C14 C13 C12 . . 107.4(7) ?
    C14 C13 H13A . . 126.3 ?
    C12 C13 H13A . . 126.3 ?
    C13 C14 C15 . . 107.2(7) ?
    C13 C14 H14A . . 126.4 ?
    C15 C14 H14A . . 126.4 ?
    N3 C15 C16 . . 126.1(7) ?
    N3 C15 C14 . . 109.1(6) ?
    C16 C15 C14 . . 124.7(7) ?
    C17 C16 C15 . . 123.0(7) ?
    C17 C16 C38 . . 118.4(7) ?
    C15 C16 C38 . . 118.6(7) ?
    N4 C17 C16 . . 125.4(7) ?
    N4 C17 C18 . . 108.7(7) ?
    C16 C17 C18 . . 125.9(7) ?
    C19 C18 C17 . . 108.3(7) ?
    C19 C18 H18A . . 125.8 ?
    C17 C18 H18A . . 125.8 ?
    C18 C19 C20 . . 106.8(7) ?
    C18 C19 H19A . . 126.6 ?
    C20 C19 H19A . . 126.6 ?
    C1 C20 N4 . . 125.2(6) ?
    C1 C20 C19 . . 125.0(7) ?
    N4 C20 C19 . . 109.8(6) ?
    N5 C21 C22 . . 122.9(8) ?
    N5 C21 H21A . . 118.5 ?
    C22 C21 H21A . . 118.5 ?
    C21 C22 C23 . . 120.7(8) ?
    C21 C22 H22A . . 119.6 ?
    C23 C22 H22A . . 119.6 ?
    C22 C23 C24 . . 115.9(8) ?
    C22 C23 C1 . . 121.0(7) ?
    C24 C23 C1 . . 123.1(7) ?
    C25 C24 C23 . . 119.5(8) ?
    C25 C24 H24A . . 120.3 ?
    C23 C24 H24A . . 120.3 ?
    N5 C25 C24 . . 123.6(8) ?
    N5 C25 H25A . . 118.2 ?
    C24 C25 H25A . . 118.2 ?
    N6 C26 C27 . . 122.7(7) ?
    N6 C26 H26A . . 118.7 ?
    C27 C26 H26A . . 118.7 ?
    C28 C27 C26 . . 119.4(7) ?
    C28 C27 H27A . . 120.3 ?
    C26 C27 H27A . . 120.3 ?
    C27 C28 C29 . . 116.8(7) ?
    C27 C28 C6 . . 119.5(7) ?
    C29 C28 C6 . . 123.7(7) ?
    C30 C29 C28 . . 120.0(7) ?
    C30 C29 H29A . . 120.0 ?
    C28 C29 H29A . . 120.0 ?
    N6 C30 C29 . . 122.8(8) ?
    N6 C30 H30A . . 118.6 ?
    C29 C30 H30A . . 118.6 ?
    N7 C31 C32 . . 123.1(8) ?
    N7 C31 H31A . . 118.5 ?
    C32 C31 H31A . . 118.5 ?
    C31 C32 C33 . . 120.9(8) ?
    C31 C32 H32A . . 119.6 ?
    C33 C32 H32A . . 119.6 ?
    C32 C33 C34 . . 115.6(8) ?
    C32 C33 C11 . . 122.0(7) ?
    C34 C33 C11 . . 122.3(7) ?
    C35 C34 C33 . . 119.8(8) ?
    C35 C34 H34A . . 120.1 ?
    C33 C34 H34A . . 120.1 ?
    N7 C35 C34 . . 123.3(8) ?
    N7 C35 H35A . . 118.3 ?
    C34 C35 H35A . . 118.3 ?
    N8 C36 C37 . . 122.9(8) ?
    N8 C36 H36A . . 118.5 ?
    C37 C36 H36A . . 118.5 ?
    C36 C37 C38 . . 120.1(8) ?
    C36 C37 H37A . . 120.0 ?
    C38 C37 H37A . . 120.0 ?
    C37 C38 C39 . . 116.6(7) ?
    C37 C38 C16 . . 119.7(7) ?
    C39 C38 C16 . . 123.7(7) ?
    C40 C39 C38 . . 118.5(8) ?
    C40 C39 H39A . . 120.7 ?
    C38 C39 H39A . . 120.7 ?
    N8 C40 C39 . . 125.2(8) ?
    N8 C40 H40A . . 117.4 ?
    C39 C40 H40A . . 117.4 ?
    Cu4 O1W Cu4B . . 27.3(2) ?
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_T_min     ?
_shelx_estimated_absorpt_T_max     ?
data_global
_journal_date_recd_electronic     2019-11-18
_journal_date_accepted     2019-12-26
_journal_name_full     'Acta Crystallographica, Section C'
_journal_year     2020
_journal_volume     76
_journal_issue      2
_journal_page_first     133
_journal_page_last     138
_journal_paper_category     FA
_journal_paper_doi     10.1107/S2053229619017273
_journal_coeditor_code     ZO3002
_publ_contact_author_name     'Wen-Tong Chen'
_publ_contact_author_address
;
Institute of Applied Chemistry
School of Chemistry and Chemical Engineering
Jiangxi Province Key Laboratory of Coordination Chemistry
Jinggangshan University
Ji'an
Jiangxi 343009
People's Republic of China
State Key Laboratory of Structural Chemistry
Fujian Institute of Research on the Structure of Matter
Chinese Academy of Sciences
Fuzhou
Fujian 350002
People's Republic of China
Department of Ecological and Resources Engineering
Fujian Key Laboratory of Eco-industrial Green Technology
Wuyi University
Wuyishan
Fujian 354300
People's Republic of China
;
_publ_contact_author_email     wtchen_2000@aliyun.com
_publ_section_title
;
Structure and photophysical and electrochemical properties of a copper porphyrin
complex with a three-dimensional framework
;
_publ_section_title_footnote
;
 Dedicated to Professor Jin-Shun Huang on the occasion of his 80th birthday.
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Wen-Tong Chen' .
;
Institute of Applied Chemistry
School of Chemistry and Chemical Engineering
Jiangxi Province Key Laboratory of Coordination Chemistry
Jinggangshan University
Ji'an
Jiangxi 343009
People's Republic of China
State Key Laboratory of Structural Chemistry
Fujian Institute of Research on the Structure of Matter
Chinese Academy of Sciences
Fuzhou
Fujian 350002
People's Republic of China
Department of Ecological and Resources Engineering
Fujian Key Laboratory of Eco-industrial Green Technology
Wuyi University
Wuyishan
Fujian 354300
People's Republic of China
;
_publ_section_synopsis
;
A new copper porphyrin with a three-dimensional framework is reported. It has a
novel Cu₂Cl μ₄-bridge. It shows red photoluminescence. Electrochemical
experiment unveils that this porphyrin possesses two waves (E~1/2~ =
--160 mV and 91 mV).
;
