<i>catena</i>-Poly[[(2-phenyl-1<i>H</i>-1,3,7,8-tetraazacyclopenta[<i>l</i>]phenanthrene-κ^2^<i>N</i>^7^,<i>N</i>^8^)cadmium(II)]-di-μ-chlorido-[(2-phenyl-1<i>H</i>-1,3,7,8-tetraazacyclopenta[<i>l</i>]phenanthrene-κ^2^<i>N</i>^7^,<i>N</i>^8^)cadmium(II)]-μ-fumarato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^,<i>O</i>^4'^]: a coordination polymer with a two-dimensional supramolecular architecture
Kong, Zhi-Guo; Wang, Jia-Jun; Wang, Xiu-Yan; Acta Crystallographica Section C 64 (2008) m333–m335; doi:10.1107/S0108270108026760

data_2016802
_publ_section_title
;<i>catena</i>-Poly[[(2-phenyl-1<i>H</i>-1,3,7,8-tetraazacyclopenta[<i>l</i>]phenanthrene-\k^2^<i>N</i>^7^,<i>N</i>^8^)cadmium(II)]-di-\m-chlorido-[(2-phenyl-1<i>H</i>-1,3,7,8-tetraazacyclopenta[<i>l</i>]phenanthrene-\k^2^<i>N</i>^7^,<i>N</i>^8^)cadmium(II)]-\m-fumarato-\k^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^,<i>O</i>^4'^]:
 a coordination polymer with a two-dimensional supramolecular architecture
;
_journal_coeditor_code           GD3238
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m333
_journal_page_last               m335
_journal_paper_doi               10.1107/S0108270108026760
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Cd2 (C4 H2 O4) Cl2 (C19 H12 N4)2]'
_chemical_formula_moiety         'C42 H26 Cd2 Cl2 N8 O6'
_chemical_formula_sum            'C42 H26 Cd2 Cl2 N8 O4'
_chemical_formula_weight         1002.40
_chemical_name_systematic
;<i>catena</i>-Poly[[(2-phenyl-1<i>H</i>-1,3,7,8-
tetraazacyclopenteno[<i>l</i>]phenanthrene-
\k^2^<i>N</i>^7^,<i>N</i>^8^)cadmium(II)]-di-\m-chlorido-[(2-phenyl-1<i>H</i>-
1,3,7,8-tetraazacyclopenteno[<i>l</i>]phenanthrene-
\k^2^<i>N</i>^7^,<i>N</i>^8^)cadmium(II)]-\m-fumarato-
\k^4^O^1^,O^1'^:O^4^,O^4'^]
;
_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           SHELXL97
_cell_angle_alpha                88.59(3)
_cell_angle_beta                 63.20(3)
_cell_angle_gamma                73.59(5)
_cell_formula_units_Z            1
_cell_length_a                   10.069(3)
_cell_length_b                   10.480(2)
_cell_length_c                   10.749(4)
_cell_measurement_reflns_used    8106
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      3.01
_cell_volume                     964.2(6)
_computing_cell_refinement       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'PROCESS-AUTO (Rigaku, 1998)'
_computing_molecular_graphics    'SHELXTL-Plus (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0291
_diffrn_reflns_av_sigmaI/netI    0.0382
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            9502
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         3.41
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.297
_exptl_absorpt_correction_T_max  0.760
_exptl_absorpt_correction_T_min  0.642
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.726
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             496
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.422
_refine_diff_density_min         -0.390
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     262
_refine_ls_number_reflns         4365
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.0378
_refine_ls_R_factor_gt           0.0288
_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/[\s^2^(Fo^2^)+(0.0229P)^2^+0.3820P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0586
_refine_ls_wR_factor_ref         0.0615
_reflns_number_gt                3755
_reflns_number_total             4365
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            gd3238.cif
_cod_data_source_block           I
_cod_database_code               2016802
_cod_database_fobs_code          2016802