LMucko/crystallography-open-database huggingface dataset:
Direction of unusual mixed-ligand metal-organic frameworks: a new type of 3-D polythreading involving 1-D and 2-D structural motifs and a 2-fold interpenetrating porous network
Miao Du; Xiu-Juan Jiang; Xiao-Jun Zhao; Chemical Communications  (2005) –; doi:10.1039/b509875k

data_7100535
_publ_section_title
;
Direction of unusual mixed-ligand metal-organic
frameworks: a new type of 3-D polythreading involving 1-D and 2-D
structural motifs and a 2-fold interpenetrating porous network
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b509875k
_journal_year                    2005
_chemical_formula_sum            'C72 H60 Cu3 N24 O16'
_chemical_formula_weight         1708.06
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 99.010(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.8387(11)
_cell_length_b                   11.6113(12)
_cell_length_c                   28.883(3)
_cell_measurement_temperature    293(2)
_cell_volume                     3590.1(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.580
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7100535
Direction of unusual mixed-ligand metal-organic frameworks: a new type of 3-D polythreading involving 1-D and 2-D structural motifs and a 2-fold interpenetrating porous network
Miao Du; Xiu-Juan Jiang; Xiao-Jun Zhao; Chemical Communications  (2005) –; doi:10.1039/b509875k

data_7100536
_publ_section_title
;
Direction of unusual mixed-ligand metal-organic
frameworks: a new type of 3-D polythreading involving 1-D and 2-D
structural motifs and a 2-fold interpenetrating porous network
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b509875k
_journal_year                    2005
_chemical_formula_sum            'C44.5 H44.5 Cd2 N13.5 O12.5'
_chemical_formula_weight         1193.24
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 96.1070(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.1571(16)
_cell_length_b                   20.483(2)
_cell_length_c                   16.9026(19)
_cell_measurement_temperature    293(2)
_cell_volume                     5217.8(10)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.519
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C44.50 H44.50 Cd2 N13.50 O12.50'
_cod_database_code               7100536
A unique example of a 36 tessellated 2-D net based on a tri-nuclear zinc(II)-1,4-benzenedicarboxylate framework.
M. Schroder; A. Blake; P. Hubberstey; Colleen A. Williams; Chemical Communications  (2005) –; doi:10.1039/b509929c

data_7100537
_publ_section_title
;
A unique example of a 36 tessellated 2-D net based on
a tri-nuclear zinc(II)-1,4-benzenedicarboxylate framework.
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b509929c
_journal_year                    2005
_chemical_formula_moiety         'C34 H34 N2 O14 Zn3, C5 H11 N O'
_chemical_formula_sum            'C39 H45 N3 O15 Zn3'
_chemical_formula_weight         991.89
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 114.174(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   25.143(3)
_cell_length_b                   20.821(2)
_cell_length_c                   17.748(2)
_cell_measurement_temperature    150(2)
_cell_volume                     8476.6(17)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.554
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7100537
Reversing the code of a template-directed solid-state synthesis: a bipyridine template that directs a single-crystal-to-single-crystal [2+2] photodimerisation of a dicarboxylic acid
T. Friscic; L.R. MacGillivray; Chemical Communications  (2005) –; doi:10.1039/b510081j

data_7100538
_publ_section_title
;
Reversing the code of a template-directed solid-state
synthesis: a bipyridine template that directs a
single-crystal-to-single-crystal [2+2] photodimerisation of a
dicarboxylic acid
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510081j
_journal_year                    2005
_chemical_formula_moiety         'C22 H18 N2 S2, C4 H4 O4'
_chemical_formula_sum            'C26 H22 N2 O4 S2'
_chemical_formula_weight         490.58
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.134(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.9652(9)
_cell_length_b                   14.3182(14)
_cell_length_c                   19.0890(19)
_cell_measurement_temperature    293(2)
_cell_volume                     2404.2(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.355
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7100538
; Chemical Communications  (2005) –; doi:10.1039/b510081j

data_7100539
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510081j
_journal_year                    2005
_chemical_formula_moiety         'C26 H22 N2 O4 S2'
_chemical_formula_sum            'C26 H22 N2 O4 S2'
_chemical_formula_weight         490.58
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.564(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.0079(10)
_cell_length_b                   14.0545(15)
_cell_length_c                   18.9564(19)
_cell_measurement_temperature    293(2)
_cell_volume                     2351.2(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.386
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7100539
; Chemical Communications  (2005) –; doi:10.1039/b510081j

data_7100540
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510081j
_journal_year                    2005
_chemical_formula_moiety         'C22 H18 N2 S2'
_chemical_formula_sum            'C22 H18 N2 S2'
_chemical_formula_weight         374.5
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                98.066(5)
_cell_angle_beta                 100.857(5)
_cell_angle_gamma                112.583(5)
_cell_formula_units_Z            2
_cell_length_a                   9.4183(9)
_cell_length_b                   10.0041(10)
_cell_length_c                   11.1304(11)
_cell_measurement_temperature    293(2)
_cell_volume                     924.46(16)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.345
_cod_database_code               7100540
An unprecedented fivefold interpenetrated lvt network containing the exceptional racemic motifs originated from nine interwoven helices
Enbo Wang; Yangguang Li; Chao Qin; Zhongmin Su; Xin-long Wang; Chemical Communications  (2005) –; doi:10.1039/b510089e

data_7100541
_publ_section_title
;
An unprecedented fivefold interpenetrated lvt network
containing the exceptional racemic motifs originated from nine
interwoven helices
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510089e
_journal_year                    2005
_chemical_formula_moiety         '(C28 H20 Cu2 O12), H 0.5O'
_chemical_formula_sum            'C28 H21 Cu2 O12.5'
_chemical_formula_weight         684.53
_space_group_IT_number           82
_space_group_name_Hall           'I -4'
_space_group_name_H-M_alt        'I -4'
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      82
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   17.832(3)
_cell_length_b                   17.832(3)
_cell_length_c                   16.876(3)
_cell_measurement_temperature    293(2)
_cell_volume                     5366.5(15)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.695
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'C28 H21 Cu2 O12.50'
_cod_database_code               7100541
Hydrogen Bond Directed Synthesis of Pyridazine and Naphthyridine Containing Macrocycles
Louis Cuccia; Todd C. Sutherland; Liyan Xing; Ulrich Ziener; Chemical Communications  (2005) –; doi:10.1039/b510118b

data_7100542
_publ_section_title
;
Hydrogen Bond Directed Synthesis of Pyridazine and
Naphthyridine Containing Macrocycles
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510118b
_journal_year                    2005
_chemical_formula_moiety         'C27 H18 N12,1.50(C2 H6 O S),(C H4 O)'
_chemical_formula_sum            'C31 H31 N12 O2.5 S1.5'
_chemical_formula_weight         659.77
_space_group_IT_number           60
_space_group_name_Hall           '-P 2n 2ab'
_space_group_name_H-M_alt        'P b c n'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   31.1325(6)
_cell_length_b                   8.5333(2)
_cell_length_c                   22.9610(4)
_cell_measurement_temperature    100(2)
_cell_volume                     6099.9(2)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.437
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (52 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'C31 H31 N12 O2.50 S1.50'
_cod_database_code               7100542
Hydrogen Bond Directed Synthesis of Pyridazine and Naphthyridine Containing Macrocycles
Louis Cuccia; Todd C. Sutherland; Liyan Xing; Ulrich Ziener; Chemical Communications  (2005) –; doi:10.1039/b510118b

data_7100543
_publ_section_title
;
Hydrogen Bond Directed Synthesis of Pyridazine and
Naphthyridine Containing Macrocycles
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510118b
_journal_year                    2005
_chemical_formula_sum            'C21.33 H28.33 Cl N6 O2'
_chemical_formula_weight         436.28
_space_group_IT_number           147
_symmetry_cell_setting           Trigonal?
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   20.888(4)
_cell_length_b                   20.888(4)
_cell_length_c                   8.774(4)
_cell_measurement_temperature    100(2)
_cell_volume                     3315.2(17)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.311
_cod_original_sg_symbol_H-M      'P -3?'
_cod_database_code               7100543
Hydrogen Bond Directed Synthesis of Pyridazine and Naphthyridine Containing Macrocycles
Louis Cuccia; Todd C. Sutherland; Liyan Xing; Ulrich Ziener; Chemical Communications  (2005) –; doi:10.1039/b510118b

data_7100544
_publ_section_title
;
Hydrogen Bond Directed Synthesis of Pyridazine and
Naphthyridine Containing Macrocycles
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510118b
_journal_year                    2005
_chemical_formula_sum            'C21 H28 N6 O3'
_chemical_formula_weight         412.49
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 100.558(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.2501(12)
_cell_length_b                   15.874(3)
_cell_length_c                   19.137(3)
_cell_measurement_temperature    373(2)
_cell_volume                     2165.2(6)
_diffrn_ambient_temperature      373(2)
_exptl_crystal_density_diffrn    1.265
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7100544
A Novel Organometallic Heteropolytungstate Deriving from [Sb2W22O74(OH)2]12-:Synthesis and Structural Characterisation of the bis-{Ru(p-cymene)}2±containing Anion [Sb2W20O70{Ru(p-cymene)}2]10-
Danielle Laurencin; Richard Villaneau; Patrick Herson; Rene Thouvenot; Yves Jeannin; Chemical Communications  (2005) –; doi:10.1039/b510300b

data_7100545
_publ_section_title
;
A Novel Organometallic Heteropolytungstate Deriving from
[Sb2W22O74(OH)2]12-:Synthesis and Structural Characterisation
of the bis-{Ru(p-cymene)}2+-containing
Anion [Sb2W20O70{Ru(p-cymene)}2]10-
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510300b
_journal_year                    2005
_chemical_formula_moiety
'8.5(Na+) 1.5(H+), (C20 H28 O70 Ru2 Sb2 W20)10-, 42(H2O)'
_chemical_formula_sum            'C20 H113.5 Na8.5 O112 Ru2 Sb2 W20'
_chemical_formula_weight         6464.66
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                100.88(3)
_cell_angle_beta                 92.11(3)
_cell_angle_gamma                97.96(3)
_cell_formula_units_Z            2
_cell_length_a                   15.914(6)
_cell_length_b                   15.932(5)
_cell_length_c                   24.166(9)
_cell_measurement_temperature    295(2)
_cell_volume                     5946(4)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    3.610
_cod_original_formula_sum        'C20 H113.50 Na8.50 O112 Ru2 Sb2 W20'
_cod_database_code               7100545
Coordination chemistry of the hexavacant tungstophosphate [H2P2W12O48]12- : synthesis and characterization of iron(III) complexes derived from the unprecedented {P2W14O54} fragment
P. Gouzerh; Beatrice Godin; Patrick Herson; Laurent Ruhlmann; Jacqueline Vaissermann; Michel Verdaguer; Chemical Communications  (2005) –; doi:10.1039/b510434c

data_7100546
_publ_section_title
;
Coordination chemistry of the hexavacant
tungstophosphate [H2P2W12O48]12- : synthesis and characterization of
iron(III) complexes derived from the unprecedented {P2W14O54} fragment
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510434c
_journal_year                    2005
_chemical_formula_moiety         'K6 Na10 [H12 P4 W28 Fe8 O120] 28H2O'
_chemical_formula_sum            'Fe8 K6 Na10 O148 P4 W28'
_chemical_formula_weight         8619.41
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                83.49(5)
_cell_angle_beta                 82.73(9)
_cell_angle_gamma                79.63(6)
_cell_formula_units_Z            1
_cell_length_a                   12.643(15)
_cell_length_b                   15.390(8)
_cell_length_c                   19.218(10)
_cell_measurement_temperature    295
_cell_volume                     3633(5)
_diffrn_ambient_temperature      295
_exptl_crystal_density_diffrn    3.94
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P -1 '
_cod_database_code               7100546
; Chemical Communications  (2005) –; doi:10.1039/b510434c

data_7100547
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510434c
_journal_year                    2005
_chemical_formula_moiety
'12(K+),(2(Co3+)8(H2O)(H12 Fe8 O120 P4 W28))6-,30(H2O)'
_chemical_formula_sum            'Co2 Fe8 H88 K12 O158 P4 W28'
_chemical_formula_weight         8922.12
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.53(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   17.741(3)
_cell_length_b                   18.021(3)
_cell_length_c                   24.052(6)
_cell_measurement_temperature    298
_cell_volume                     7476(3)
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    3.96
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'H88 Co2 Fe8 K12 O158 P4 W28'
_cod_database_code               7100547
An Octanuclear [Co(II)2-Co(III)2]2 Interlocked Grid-Example of an Inorganic [2] Catenane
L. Thompson; Tareque S. M. Abedin; David O. Miller; Chemical Communications  (2005) –; doi:10.1039/b510755e

data_7100548
_publ_section_title
;
An Octanuclear [Co(II)2-Co(III)2]2 Interlocked
Grid-Example of an Inorganic [2] Catenane
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510755e
_journal_year                    2005
_chemical_formula_sum            'C132 H149 Co10 N76 O32 S12'
_chemical_formula_weight         4286.29
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                81.6710(10)
_cell_angle_beta                 84.037(2)
_cell_angle_gamma                70.3280(10)
_cell_formula_units_Z            2
_cell_length_a                   17.3594(15)
_cell_length_b                   20.8703(18)
_cell_length_c                   27.545(2)
_cell_measurement_temperature    193(2)
_cell_volume                     9281.7(14)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.534
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               7100548
Dual Chirality Control of Palladium(II) Complexes Bearing Tropos Biphenyl Diamine Ligands
Koichi Mikami; Kohsuke Aikawa; Chemical Communications  (2005) –; doi:10.1039/b510910h

data_7100549
_publ_section_title
;
Dual Chirality Control of Palladium(II) Complexes
Bearing Tropos Biphenyl Diamine Ligands
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510910h
_journal_year                    2005
_chemical_formula_moiety         'C27 H26 Cl4 N2 Pd '
_chemical_formula_sum            'C27 H26 Cl4 N2 Pd'
_chemical_formula_weight         626.72
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.002(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.333(5)
_cell_length_b                   10.700(4)
_cell_length_c                   17.692(6)
_cell_measurement_temperature    193.1
_cell_volume                     2712.8(16)
_exptl_crystal_density_diffrn    1.534
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C27 H26 Cl4 N2 Pd '
_cod_database_code               7100549