Peculiar phenomena of structural transformations triggered from a nickel coordination polymer
Kang, Meng; Yang, Guo-Ping; Hou, Lei; Wu, Wei-Ping; Wu, Yun-Long; Wang, Yao-Yu; CrystEngComm 17 (2015) 1839–; doi:10.1039/C4CE02333A

data_7219263
_publ_section_title
;
 Peculiar phenomena of structural transformations triggered from a nickel
 coordination polymer
;
_journal_issue                   8
_journal_name_full               CrystEngComm
_journal_page_first              1839
_journal_paper_doi               10.1039/C4CE02333A
_journal_volume                  17
_journal_year                    2015
_chemical_formula_sum            'C20 H12 N Ni O5'
_chemical_formula_weight         405.02
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_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
_audit_update_record
;
2014-04-23 deposited with the CCDC.
2015-01-12 downloaded from the CCDC.
;
_cell_angle_alpha                75.580(6)
_cell_angle_beta                 80.947(6)
_cell_angle_gamma                66.329(6)
_cell_formula_units_Z            2
_cell_length_a                   9.406(4)
_cell_length_b                   9.512(3)
_cell_length_c                   11.655(4)
_cell_measurement_temperature    296(2)
_cell_volume                     923.0(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.962
_diffrn_measured_fraction_theta_max 0.962
_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  0.0287
_diffrn_reflns_av_sigmaI/netI    0.0568
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            4548
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         1.81
_exptl_absorpt_coefficient_mu    1.081
_exptl_absorpt_correction_T_max  0.9090
_exptl_absorpt_correction_T_min  0.8376
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.457
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             414
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.808
_refine_diff_density_min         -2.003
_refine_diff_density_rms         0.371
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     244
_refine_ls_number_reflns         3175
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.1180
_refine_ls_R_factor_gt           0.0874
_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^)+(0.3400P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3104
_refine_ls_wR_factor_ref         0.3773
_reflns_number_gt                2666
_reflns_number_total             3175
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ce02333a2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 7219261--7219264.cif.'
_cod_original_cell_volume        923.1(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7219263