Organometallic and zeolitic ultralight MOFs from lithium alkynyl building blocks.
Zhang, Ruichen; O'Brien, Tom; Abdilah, Fauzi; White, Andrew J. P.; Lickiss, Paul D.; Davies, Robert P.; Chemical communications (Cambridge, England) 61 (2025) 11637–11640; doi:10.1039/d5cc01112d

data_7134786
_publ_section_title
;
 Organometallic and zeolitic ultralight MOFs from lithium alkynyl building
 blocks.
;
_journal_issue                   62
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              11637
_journal_page_last               11640
_journal_paper_doi               10.1039/d5cc01112d
_journal_volume                  61
_journal_year                    2025
_chemical_formula_moiety         'C28 H36 Li4 O4'
_chemical_formula_sum            'C28 H36 Li4 O4'
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_audit_update_record
;
2024-09-12 deposited with the CCDC.	2025-06-24 downloaded from the CCDC.
;
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_cell_angle_gamma                82.866(10)
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_cell_measurement_temperature    173(2)
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_cell_measurement_theta_min      4.5450
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_computing_cell_refinement       'CrysAlisPro, Rigaku OD'
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_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 10.4115
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_diffrn_measured_fraction_theta_max 0.940
_diffrn_measurement_device_type  'Agilent Xcalibur PX Ultra A'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0794
_diffrn_reflns_av_unetI/netI     0.1166
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.940
_diffrn_reflns_limit_h_max       10
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_diffrn_reflns_limit_k_min       -15
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_diffrn_reflns_limit_l_min       -16
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_diffrn_reflns_theta_max         73.951
_diffrn_reflns_theta_min         3.952
_diffrn_source                   'Enhance Ultra (Cu) X-ray Source'
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_exptl_absorpt_correction_T_min  0.932
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_exptl_absorpt_process_details
; 
CrysAlisPro 1.171.42.49 (Rigaku Oxford Diffraction, 2022) 
Analytical numeric absorption correction using a multifaceted crystal 
model based on expressions derived by R.C. Clark & J.S. Reid. 
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) 
Empirical absorption correction using spherical harmonics, 
implemented in SCALE3 ABSPACK scaling algorithm. 
;
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.111
_exptl_crystal_description       needles
_exptl_crystal_F_000             496
_exptl_crystal_size_max          0.183
_exptl_crystal_size_mid          0.122
_exptl_crystal_size_min          0.048
_refine_diff_density_max         0.460
_refine_diff_density_min         -0.312
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_reflns         9757
_refine_ls_number_restraints     42
_refine_ls_restrained_S_all      0.855
_refine_ls_R_factor_all          0.2160
_refine_ls_R_factor_gt           0.0798
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1284P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1970
_refine_ls_wR_factor_ref         0.2648
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3095
_reflns_number_total             9757
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7134785--7134788.cif.'
_cod_database_code               7134786
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              38565
_shelx_hkl_checksum              17516