Tuning extreme anisotropic thermal expansion in 1D coordination polymers through metal selection and solid solutions.
van Wyk, Lisa M.; Loots, Leigh; Barbour, Leonard J.; Chemical communications (Cambridge, England) 57 (2021) 7693–7696; doi:10.1039/d1cc01717a

data_7128609
_publ_section_title
;
 Tuning extreme anisotropic thermal expansion in 1D coordination polymers
 through metal selection and solid solutions.
;
_journal_issue                   62
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              7693
_journal_page_last               7696
_journal_paper_doi               10.1039/d1cc01717a
_journal_volume                  57
_journal_year                    2021
_chemical_formula_moiety         'C24 H16 Cd0.08 N2 O4 Zn0.92'
_chemical_formula_sum            'C24 H16 Cd0.08 N2 O4 Zn0.92'
_chemical_formula_weight         465.52
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_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
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_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-10-08 deposited with the CCDC.	2021-07-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 99.049(2)
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_cell_length_b                   26.5229(15)
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_cell_measurement_temperature    100(2)
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_cell_measurement_theta_min      2.56
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_computing_cell_refinement       'SAINT V8.37A (Bruker, 2016)'
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'X-Seed (Barbour, 2001; Atwood & Barbour, 2003)'
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_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
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_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX DUO CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_theta_min         1.492
_diffrn_source                   'microfocus sealed tube'
_exptl_absorpt_coefficient_mu    0.780
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.7074
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, 2016/2'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    0.963
_exptl_crystal_description       Rod
_exptl_crystal_F_000             949.8
_exptl_crystal_size_max          0.290
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_exptl_crystal_size_min          0.064
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         6582
_refine_ls_number_restraints     1579
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0498
_refine_ls_R_factor_gt           0.0397
_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^)+(0.0695P)^2^+1.5065P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1180
_refine_ls_wR_factor_ref         0.1238
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5352
_reflns_number_total             6582
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1cc01717a3.cif
_cod_data_source_block           ZnCdCP_LTphase
_cod_depositor_comments
'Adding full bibliography for 7128604--7128617.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7128609
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.805
_shelx_estimated_absorpt_t_max   0.952
_shelx_res_checksum              7882
_shelx_hkl_checksum              26468
_shelx_fab_checksum              92516