Coordination-driven strategy towards crystalline hybrid photochromic materials via the marriage of a non-photochromic extended dipyridine unit and zincophosphate
Ge, Bang-Di; Han, Song-De; Wei, Qi; Li, Jin-Hua; Wang, Guo-Ming; Journal of Materials Chemistry C 7 (2019) 3920–; doi:10.1039/C9TC00851A

data_7237770
_publ_section_title
;
 Coordination-driven strategy towards crystalline hybrid photochromic
 materials via the marriage of a non-photochromic extended dipyridine unit
 and zincophosphate
;
_journal_issue                   13
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              3920
_journal_paper_doi               10.1039/C9TC00851A
_journal_volume                  7
_journal_year                    2019
_chemical_formula_sum            'C34 H36 N5 O13 P3 Zn3'
_chemical_formula_weight         1011.70
_space_group_crystal_system      orthorhombic
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_space_group_name_Hall           '-F 2uv 2vw'
_space_group_name_H-M_alt        'F d d d :2'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2019-01-17 deposited with the CCDC.	2019-03-05 downloaded from the CCDC.
;
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_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.0670
_cell_measurement_theta_min      2.7720
_cell_volume                     14853.8(14)
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'XtaLAB Mini (ROW)'
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_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_av_unetI/netI     0.0479
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       34
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_reflns_theta_full        25.007
_diffrn_reflns_theta_max         25.007
_diffrn_reflns_theta_min         2.576
_exptl_absorpt_coefficient_mu    2.127
_exptl_absorpt_correction_T_max  0.506
_exptl_absorpt_correction_T_min  0.255
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.810
_exptl_crystal_description       block
_exptl_crystal_F_000             8224
_exptl_crystal_size_max          0.75
_exptl_crystal_size_mid          0.55
_exptl_crystal_size_min          0.32
_refine_diff_density_max         2.026
_refine_diff_density_min         -0.790
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.916
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     266
_refine_ls_number_reflns         3283
_refine_ls_number_restraints     29
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0719
_refine_ls_R_factor_gt           0.0472
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1156P)^2^+49.8921P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1356
_refine_ls_wR_factor_ref         0.1517
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2458
_reflns_number_total             3283
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9tc00851a2.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'F d d d'
_cod_database_code               7237770
_shelx_shelxl_version_number     2016/6
_shelx_res_checksum              43116
_shelx_fab_checksum              97317