LMucko/crystallography-open-database huggingface dataset:
Structure and Magnetic Properties of a Novel Copper Halide Framework {[tBuNH3]2[Cu3(ì3-OH)( ì2-H2O)Cl7]}n Synthesized via in situ Templation
T. Chivers; Zhiyong Fu.; L. Thompson; Chemical Communications  (2005) –; doi:10.1039/b501040c

data_7100434
_publ_section_title
;
Structure and Magnetic Properties of a Novel Copper Halide
Framework {[tBuNH3]2[Cu3(\`i3-OH)( \`i2-H2O)Cl7]}n Synthesized via in situ
Templation
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b501040c
_journal_year                    2005
_chemical_formula_sum            'C4 H13.5 Cl3.5 Cu1.5 N O'
_chemical_formula_weight         311.04
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   9.1349(18)
_cell_length_b                   26.780(5)
_cell_length_c                   8.5459(17)
_cell_measurement_temperature    173(2)
_cell_volume                     2090.6(7)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.976
_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.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'C4 H13.50 Cl3.50 Cu1.50 N O'
_cod_database_code               7100434
Structure and Magnetic Properties of a Novel Copper Halide Framework {[tBuNH3]2[Cu3(ì3-OH)( ì2-H2O)Cl7]}n Synthesized via in situ Templation
T. Chivers; Zhiyong Fu.; L. Thompson; Chemical Communications  (2005) –; doi:10.1039/b501040c

data_7100435
_publ_section_title
;
Structure and Magnetic Properties of a Novel Copper Halide
Framework {[tBuNH3]2[Cu3(\`i3-OH)( \`i2-H2O)Cl7]}n Synthesized via in situ
Templation
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b501040c
_journal_year                    2005
_chemical_formula_sum            'C4 H12 Cl3 Cu N'
_chemical_formula_weight         244.04
_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                 90.63(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.1048(12)
_cell_length_b                   16.946(3)
_cell_length_c                   9.1044(18)
_cell_measurement_temperature    173(2)
_cell_volume                     941.8(3)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.721
_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_database_code               7100435
Structure and Magnetic Properties of a Novel Copper Halide Framework {[tBuNH3]2[Cu3(ì3-OH)( ì2-H2O)Cl7]}n Synthesized via in situ Templation
T. Chivers; Zhiyong Fu.; L. Thompson; Chemical Communications  (2005) –; doi:10.1039/b501040c

data_7100436
_publ_section_title
;
Structure and Magnetic Properties of a Novel Copper Halide
Framework {[tBuNH3]2[Cu3(\`i3-OH)( \`i2-H2O)Cl7]}n Synthesized via in situ
Templation
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b501040c
_journal_year                    2005
_chemical_formula_sum            'C27.5 H66 Cl3 Cu N6 O2 P2'
_chemical_formula_weight         744.69
_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                103.15(3)
_cell_angle_beta                 94.85(3)
_cell_angle_gamma                103.03(3)
_cell_formula_units_Z            2
_cell_length_a                   10.241(2)
_cell_length_b                   13.790(3)
_cell_length_c                   16.238(3)
_cell_measurement_temperature    173(2)
_cell_volume                     2153.1(7)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.149
_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_formula_sum        'C27.50 H66 Cl3 Cu N6 O2 P2'
_cod_database_code               7100436
Palladium catalysed enantioselective phosphination reactions using secondary phosphine-boranes and aryl iodide
Annie-Claude Gaumont; Stephanie Pican; Chemical Communications  (2005) –; doi:10.1039/b501078k

data_7100437
_publ_section_title
;
Palladium catalysed enantioselective phosphination
reactions using secondary phosphine-boranes and aryl iodide
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b501078k
_journal_year                    2005
_chemical_formula_sum            'C48 H51 B F5 N O2 P2 Pd'
_chemical_formula_weight         948.05
_space_group_IT_number           145
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 32'
_symmetry_space_group_name_H-M   'P 32'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   11.9662(3)
_cell_length_b                   11.9662(3)
_cell_length_c                   26.4783(5)
_cell_measurement_temperature    120(1)
_cell_volume                     3283.47(13)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.438
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Trigonal' changed to 'trigonal' 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               7100437
Observation of an octameric water cluster containing book-shaped hexamer in a 4f-3d complex
Baoqing Ma; Song Gao; Hao-Ling Sun; Chemical Communications  (2005) –; doi:10.1039/b501161b

data_7100438
_publ_section_title
;
Observation of an octameric water cluster containing
book-shaped hexamer in a 4f-3d complex
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b501161b
_journal_year                    2005
_chemical_formula_sum            'C26 H32 Co N10 O12 Y'
_chemical_formula_weight         824.46
_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                 100.02(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.384(4)
_cell_length_b                   8.2478(16)
_cell_length_c                   22.090(4)
_cell_measurement_temperature    293(2)
_cell_volume                     3477.9(12)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.575
_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               7100438
A Two-Dimensional Cationic Lattice Built from [Zn6(HPO4)2(PO4)2]2+ Clusters
Brian Hanson; Jian Fan.; Chemical Communications  (2005) –; doi:10.1039/b501221j

data_7100439
_publ_section_title
;
A Two-Dimensional Cationic Lattice Built from
[Zn6(HPO4)2(PO4)2]2+ Clusters
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b501221j
_journal_year                    2005
_chemical_formula_moiety         'C45 H42 N10 O14 P3 Zn3'
_chemical_formula_sum            'C45 H42 N10 O14 P3 Zn3'
_chemical_formula_weight         1235.91
_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                93.140(8)
_cell_angle_beta                 91.869(8)
_cell_angle_gamma                103.343(9)
_cell_formula_units_Z            2
_cell_length_a                   11.7616(12)
_cell_length_b                   11.8456(12)
_cell_length_c                   17.1991(15)
_cell_measurement_temperature    100(2)
_cell_volume                     2325.5(4)
_diffrn_ambient_temperature      100(2)
_diffrn_source_current           40
_diffrn_source_voltage           50
_exptl_crystal_density_diffrn    1.765
_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               7100439
Isolation and characterization of the first circular single-stranded polymetallic lanthanide-containing helicate
Jean-Michel Senegas; Sylvain Koeller; Gerald Bernardinelli; Claude Piguet; Chemical Communications  (2005) –; doi:10.1039/b501399b

data_7100440
_publ_section_title
;
Isolation and characterization of the first circular single-stranded
polymetallic lanthanide-containing helicate
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b501399b
_journal_year                    2005
_chemical_formula_moiety         'C151 H157 Eu3 F27 N35 O38 S9'
_chemical_formula_sum            'C151 H157 Eu3 F27 N35 O38 S9'
_chemical_formula_weight         4327.9
_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                100.262(7)
_cell_angle_beta                 100.850(8)
_cell_angle_gamma                103.813(8)
_cell_formula_units_Z            2
_cell_length_a                   14.7345(11)
_cell_length_b                   21.8136(12)
_cell_length_c                   31.7901(19)
_cell_measurement_temperature    200
_cell_volume                     9474.5(13)
_exptl_crystal_density_diffrn    1.517
_cod_database_code               7100440
The synthesis of a sterically hindered samarium(II) bis(amidinate) and conversion to its homoleptic trivalent congener
Peter Junk; Marcus Cole; Chemical Communications  (2005) –; doi:10.1039/b501447f

data_7100441
_publ_section_title
;
The synthesis of a sterically hindered samarium(II)
bis(amidinate) and conversion to its homoleptic trivalent congener
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b501447f
_journal_year                    2005
_chemical_formula_moiety         'C58 H86 N4 O2 Sm'
_chemical_formula_sum            'C58 H86 N4 O2 Sm'
_chemical_formula_weight         1021.66
_chemical_name_common            '[Sm(DippForm)2(THF)2]'
_chemical_temperature_decomposition 475
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                84.4520(10)
_cell_angle_beta                 86.800(2)
_cell_angle_gamma                63.9530(10)
_cell_formula_units_Z            2
_cell_length_a                   12.1023(2)
_cell_length_b                   12.7993(3)
_cell_length_c                   19.6691(5)
_cell_measurement_temperature    123(2)
_cell_volume                     2724.19(10)
_diffrn_ambient_temperature      123(2)
_exptl_crystal_density_diffrn    1.246
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' tag was changed to
'_chemical_temperature_decomposition' since the value had been '475
(dec.)'. The value '475 (dec.)' was changed to '475'.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               7100441
The synthesis of a sterically hindered samarium(II) bis(amidinate) and conversion to its homoleptic trivalent congener
Peter Junk; Marcus Cole; Chemical Communications  (2005) –; doi:10.1039/b501447f

data_7100442
_publ_section_title
;
The synthesis of a sterically hindered samarium(II)
bis(amidinate) and conversion to its homoleptic trivalent congener
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b501447f
_journal_year                    2005
_chemical_formula_moiety         'C74 H118 I2 N4 Na1 O6 Sm1'
_chemical_formula_sum            'C148 H236 I4 N8 Na2 O12 Sm2'
_chemical_formula_weight         3173.73
_chemical_melting_point          451
_chemical_name_common            '[Na(THF)5][Sm(I)2(DippForm)2(THF)]'
_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                 91.7860(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   26.7632(3)
_cell_length_b                   14.3697(2)
_cell_length_c                   41.5794(5)
_cell_measurement_temperature    123(2)
_cell_volume                     15982.8(3)
_diffrn_ambient_temperature      123(2)
_exptl_crystal_density_diffrn    1.319
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7100442
The synthesis of a sterically hindered samarium(II) bis(amidinate) and conversion to its homoleptic trivalent congener
Peter Junk; Marcus Cole; Chemical Communications  (2005) –; doi:10.1039/b501447f

data_7100443
_publ_section_title
;
The synthesis of a sterically hindered samarium(II)
bis(amidinate) and conversion to its homoleptic trivalent congener
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b501447f
_journal_year                    2005
_chemical_formula_moiety         'C92.50 H125 N6 Sm'
_chemical_formula_sum            'C92.5 H125 N6 Sm'
_chemical_formula_weight         1471.34
_chemical_melting_point          494
_chemical_name_common            '[Sm(DippForm)3].5/2C7H8'
_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                   13.1662(2)
_cell_length_b                   37.9133(8)
_cell_length_c                   16.4994(3)
_cell_measurement_temperature    123(2)
_cell_volume                     8189.3(3)
_diffrn_ambient_temperature      123(2)
_exptl_crystal_density_diffrn    1.193
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C92.50 H125 N6 Sm'
_cod_database_code               7100443
The synthesis of a sterically hindered samarium(II) bis(amidinate) and conversion to its homoleptic trivalent congener
Peter Junk; Marcus Cole; Chemical Communications  (2005) –; doi:10.1039/b501447f

data_7100444
_publ_section_title
;
The synthesis of a sterically hindered samarium(II)
bis(amidinate) and conversion to its homoleptic trivalent congener
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b501447f
_journal_year                    2005
_chemical_formula_moiety         'C54 H78 F N4 O Sm'
_chemical_formula_sum            'C54 H78 F N4 O Sm'
_chemical_formula_weight         968.55
_chemical_name_common            '[Sm(F)(DippForm)2(THF)]'
_chemical_temperature_decomposition 549
_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                 110.0650(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.4714(2)
_cell_length_b                   12.1996(2)
_cell_length_c                   21.6593(3)
_cell_measurement_temperature    123(2)
_cell_volume                     5080.93(12)
_diffrn_ambient_temperature      123(2)
_exptl_crystal_density_diffrn    1.266
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' tag was changed to
'_chemical_temperature_decomposition' since the value had been '549
(dec.)'. The value '549 (dec.)' was changed to '549'.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7100444
An unique site-selective reaction of ketones with new recyclable hypervalent iodine(III) reagents based on a tetraphenylmethane structure
Yasuyuki Kita; Toshifumi Dohl; Akinobu Maruyama; Koji Morimoto; Motoo Shiro; Hirofumi Tohma; M. Yoshimura; Chemical Communications  (2005) –; doi:10.1039/b501475a

data_7100445
_publ_section_title
;
An unique site-selective reaction of ketones with new
recyclable hypervalent iodine(III) reagents based on a
tetraphenylmethane structure
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b501475a
_journal_year                    2005
_chemical_formula_moiety
'C41 H40 I4 O16, 5.19(C2 H4 O2), 0.81(C H2 Cl2)'
_chemical_formula_weight         1676.84
_chemical_name_common            TETRAKIS-(4-(DIACETOXY)IODOPHENYL)METHANE
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                84.259(13)
_cell_angle_beta                 79.630(13)
_cell_angle_gamma                72.581(11)
_cell_formula_units_Z            2
_cell_length_a                   12.520(4)
_cell_length_b                   12.608(3)
_cell_length_c                   21.064(6)
_cell_volume                     3116.8(15)
_diffrn_ambient_temperature      93.2
_exptl_crystal_density_diffrn    1.787
_exptl_crystal_F_000             1652.20
_cod_database_code               7100445
A three-dimensional porous metal-organic framework with the rutile topology constructed from triangular and distorted octahedral building blocks
Shuxia Liu; Bo Gao; Dehui Li; Zhongmin Su; Chunyan Sun; Linhua Xie; Chundan Zhang; Chemical Communications  (2005) –; doi:10.1039/b501477h

data_7100446
_publ_section_title
;
A three-dimensional porous metal-organic framework
with the rutile topology constructed from triangular and distorted
octahedral building blocks
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b501477h
_journal_year                    2005
_chemical_formula_sum            'C14 H18 N2 O7 Zn'
_chemical_formula_weight         391.67
_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                 98.4660(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.4550(6)
_cell_length_b                   16.0074(11)
_cell_length_c                   11.0347(7)
_cell_measurement_temperature    188(2)
_cell_volume                     1651.90(19)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.575
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7100446
Synthesis, Structure and Magnetic Properties of a Trinuclear [MnIIIMnII2] Single-Molecule Magnet
Euan Brechin; George Christou; Muralee Murugesu; S. Parsons; Richard T. W. Scott; Wolfgang Wernsdorfer; Chemical Communications  (2005) –; doi:10.1039/b501504a

data_7100447
_publ_section_title
;
Synthesis, Structure and Magnetic Properties of a
Trinuclear [MnIIIMnII2] Single-Molecule Magnet
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b501504a
_journal_year                    2005
_chemical_formula_moiety         '[Mn3(chtH)2(bipy)4](ClO4)3.Et2O.2MeCN'
_chemical_formula_sum            'C60 H68 Cl3 Mn3 N10 O19'
_chemical_formula_weight         1504.41
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2y'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 96.863(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.919(2)
_cell_length_b                   22.044(4)
_cell_length_c                   13.385(2)
_cell_measurement_temperature    150(2)
_cell_volume                     3491.6(10)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.429
_exptl_crystal_recrystallization_method 'Et2O diffusion into MeCN solution.'
_cod_original_sg_symbol_H-M      'I 2/m'
_cod_database_code               7100447
; Chemical Communications  (2005) –; doi:10.1039/b501508a

data_7100448
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b501508a
_journal_year                    2005
_chemical_formula_moiety
'[NMe4]2[Mn2Dy2(NO3)4(PIV)4(C6H11O3)2].2MeCN.0.5H2O'
_chemical_formula_sum            'C44 H89 Dy2 Mn2 N8 O26.5'
_chemical_formula_weight         1589.11
_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                 101.689(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.6304(4)
_cell_length_b                   13.3520(4)
_cell_length_c                   17.0340(5)
_cell_measurement_temperature    150(2)
_cell_volume                     3258.50(16)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.620
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C44 H89 Dy2 Mn2 N8 O26.50'
_cod_database_code               7100448