LMucko/crystallography-open-database huggingface dataset:
Crystal structure of Tutton's salts, Cs~2~[M^II^(H~2~O)~2~](SeO~2~) ~2~, M^II^ = Mg, Mn, Co, Ni, Zn
Euler, H.; Barbier, B.; Meents, A.; Kirfel, A.; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 405–408; doi:

data_8100518
_publ_section_title
;
Crystal structure of Tutton's salts, Cs~2~[M^II^(H~2~O)~2~](SeO~2~)
~2~, M^II^ = Mg, Mn, Co, Ni, Zn
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              405
_journal_page_last               408
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         '(Cs 1+)2, Ni 2+, (Se O4 2-)2, 6(H2O)'
_chemical_formula_sum            'Cs2 H12 Ni O14 Se2'
_chemical_formula_weight         718.55
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 106.17(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.426(3)
_cell_length_b                   12.961(2)
_cell_length_c                   6.4731(19)
_cell_measurement_temperature    293(2)
_cell_volume                     759.5(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    3.142
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'H12 Cs2 Ni O14 Se2'
_cod_database_code               8100518
Crystal structure of Tutton's salts, Cs~2~[M^II^(H~2~O)~2~](SeO~2~) ~2~, M^II^ = Mg, Mn, Co, Ni, Zn
Euler, H.; Barbier, B.; Meents, A.; Kirfel, A.; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 405–408; doi:

data_8100519
_publ_section_title
;
Crystal structure of Tutton's salts, Cs~2~[M^II^(H~2~O)~2~](SeO~2~)
~2~, M^II^ = Mg, Mn, Co, Ni, Zn
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              405
_journal_page_last               408
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         '(Cs 1+)2, Zn 2+, (Se O4 2-)2, 6(H2O)'
_chemical_formula_sum            'Cs2 H12 O14 Se2 Zn'
_chemical_formula_weight         725.21
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 106.155(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.4832(13)
_cell_length_b                   13.0046(15)
_cell_length_c                   6.4850(8)
_cell_measurement_temperature    293(2)
_cell_volume                     768.18(17)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    3.135
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'H12 Cs2 O14 Se2 Zn'
_cod_database_code               8100519
Crystal structure of potassium antimony hexathio-diphosphate, KSbP~2~S~6~
Víctor Manriquez; Antonio Galdámez; D. Ruiz León; M. T. Garland; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 403–404; doi:10.1524/ncrs.2003.218.4.403

data_8100520
_publ_section_title
;
Crystal structure of potassium antimony hexathio-diphosphate, KSbP~2~S~6~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              403
_journal_page_last               404
_journal_paper_doi               10.1524/ncrs.2003.218.4.403
_journal_volume                  218
_journal_year                    2003
_chemical_formula_sum            'K P2 S6 Sb'
_chemical_formula_weight         415.15
_chemical_name_common            ' Potassium Antimony hexathiodiphosphate'
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 92.11(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.6050(13)
_cell_length_b                   7.6511(15)
_cell_length_c                   9.754(2)
_cell_measurement_temperature    293(2)
_cell_volume                     492.60(17)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.799
_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'
_cod_original_formula_sum        'K Sb P2 S6 '
_cod_database_code               8100520
Refinement of the crystal structure of Bi-II, at 2.54 Gpa
Akselrud, L. G.; Hanfland, M.; Schwarz, U.; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 415–416; doi:

data_8100521
_publ_section_title
;
Refinement of the crystal structure of Bi-II, at 2.54 Gpa
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              415
_journal_page_last               416
_journal_volume                  218
_journal_year                    2003
_chemical_formula_sum            Bi
_chemical_formula_weight         835.92
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.412(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.67256(1)
_cell_length_b                   6.1108(2)
_cell_length_c                   3.30013(9)
_cell_volume                     126.112(1)
_diffrn_ambient_temperature      295
_exptl_crystal_density_diffrn    11.0058(1)
_pd_proc_ls_prof_R_factor        0.1177
_refine_ls_R_I_factor            0.0872
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               8100521
Crystal structure of lanthanum borocarbide, La~5~B~4~C~5-x~ (x = 0.15)
Babizhetskyy, Volodymyr; Mattausch, Hansjurgen; Simon, Arndt; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 417–418; doi:

data_8100522
_publ_section_title
;
Crystal structure of lanthanum borocarbide, La~5~B~4~C~5-x~ (x = 0.15)
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              417
_journal_page_last               418
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'La5 B4 C5-x (x =0.15)'
_chemical_formula_sum            'C9.71 B8 La10'
_chemical_formula_weight         1595.68
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.657(1)
_cell_length_b                   8.6051(5)
_cell_length_c                   8.6540(7)
_cell_measurement_temperature    293(2)
_cell_volume                     1836.2(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    5.772
_cod_database_code               8100522
Refinement of the crystal structure of Sb-I, at 2.22 Gpa
Akselrud, L. G.; Hanfland, M.; Schwarz, U.; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 414–414; doi:

data_8100523
_publ_section_title
;
Refinement of the crystal structure of Sb-I, at 2.22 Gpa
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              414
_journal_page_last               414
_journal_volume                  218
_journal_year                    2003
_chemical_formula_sum            Sb
_chemical_formula_weight         730.5
_chemical_name_common            Sb(1)
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   4.2687(2)
_cell_length_b                   4.2687(2)
_cell_length_c                   10.9244(6)
_cell_volume                     172.39(2)
_diffrn_ambient_pressure         2.22e+06
_diffrn_ambient_temperature      295
_exptl_crystal_density_diffrn    7.0359(1)
_pd_proc_ls_prof_R_factor        0.0662
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               8100523
Crystal structure of 1,3-dibenzyl-2-oxo-4,6-diphenyl-1,2,3,4-tetrahydropyridine- 3-carbonitrile, C~32~H~26~N~2~O
Patel, Urmila H.; Dave, Chaitanya G.; Jotani, Mukesh M.; Shah, Hetal C.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 29–31; doi:

data_8100524
_publ_section_title
;
Crystal structure of 1,3-dibenzyl-2-oxo-4,6-diphenyl-1,2,3,4-tetrahydropyridine-
3-carbonitrile, C~32~H~26~N~2~O
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              29
_journal_page_last               31
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C32 H26 N2 O'
_chemical_formula_structural     'C32 H26 N2 O'
_chemical_formula_sum            'C32 H26 N2 O'
_chemical_formula_weight         454.55
_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                 95.492(16)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.1464(14)
_cell_length_b                   11.463(3)
_cell_length_c                   23.423(5)
_cell_measurement_temperature    293(2)
_cell_volume                     2444.5(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.235
_exptl_crystal_density_meas      1.216
_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.

'_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 (14 times).

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               8100524
Crystal structure of (18-crown-6)bis(tetra-hydrofuran)potassiumbis (2,3,4,5-tetramethylphospholyl)bis(borohydride)neodymium(III), [K (C~12~H~24~O~6~)(C~4~H~8~O)~2~]{[C~4~(CH~3~)~4~P]~2~Nd(BH~4~)~2~}
Cendrowski-Guillaume, Sophie; Le Gland, Gildas; Ephritikhine, Michel; Nierlich, Martine; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 35–37; doi:

data_8100525
_publ_section_title
;
Crystal structure of (18-crown-6)bis(tetra-hydrofuran)potassiumbis
(2,3,4,5-tetramethylphospholyl)bis(borohydride)neodymium(III), [K
(C~12~H~24~O~6~)(C~4~H~8~O)~2~]{[C~4~(CH~3~)~4~P]~2~Nd(BH~4~)~2~}
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              35
_journal_page_last               37
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C36 H72 B2 K Nd O8 P2'
_chemical_formula_sum            'C36 H72 B2 K Nd O8 P2'
_chemical_formula_weight         899.84
_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                98.29(3)
_cell_angle_beta                 94.07(3)
_cell_angle_gamma                104.26(3)
_cell_formula_units_Z            2
_cell_length_a                   10.489(2)
_cell_length_b                   11.784(2)
_cell_length_c                   19.103(4)
_cell_measurement_temperature    123(2)
_cell_volume                     2250.6(8)
_diffrn_ambient_temperature      123(2)
_exptl_crystal_density_diffrn    1.328
_refine_diff_density_rms         0.129
_cod_database_code               8100525
Crystal structure of 2,4'-oxa-2'-bromo-2,2'-bisadamantane, C~20~H~27~BrO
Wattenbach, Carsten; Lenoir, Dieter; Chiappe, Cinzia; Müller, Ulrich; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 119–120; doi:

data_8100526
_publ_section_title
;
Crystal structure of 2,4'-oxa-2'-bromo-2,2'-bisadamantane, C~20~H~27~BrO
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              119
_journal_page_last               120
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C20 H27 Br O'
_chemical_formula_sum            'C20 H27 Br O'
_chemical_formula_weight         363.33
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 99.76(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   24.359(3)
_cell_length_b                   6.9025(6)
_cell_length_c                   19.369(3)
_cell_measurement_temperature    193(2)
_cell_volume                     3209.6(7)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.504
_cod_original_sg_symbol_H-M      'I 2/a'
_cod_database_code               8100526
Crystal structure of 4-[3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol- 1-yl)-propyl]benzonitrile, C~18~H~17~FN~4~O
Södervall, Marja; Mutikainen, Ilpo; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 38–40; doi:

data_8100527
_publ_section_title
;
Crystal structure of 4-[3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-
1-yl)-propyl]benzonitrile, C~18~H~17~FN~4~O
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              38
_journal_page_last               40
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C18 H17 F N4 O'
_chemical_formula_sum            'C18 H17 F N4 O'
_chemical_formula_weight         324.36
_chemical_name_common            finrozole
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.613(3)
_cell_length_b                   5.8720(12)
_cell_length_c                   34.350(7)
_cell_measurement_temperature    193(2)
_cell_volume                     3149.2(11)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.368
_cod_database_code               8100527
Crystal structure of 3,6-bis(4-biphenylyl)pyrrolo-[3,4-c]pyrrole-1, 4-dione, C~30~H~20~N~2~O~2~
Mizuguchi, Jin; Miyazaki, Toyoaki; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 43–44; doi:

data_8100528
_publ_section_title
;
Crystal structure of 3,6-bis(4-biphenylyl)pyrrolo-[3,4-c]pyrrole-1,
4-dione, C~30~H~20~N~2~O~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              43
_journal_page_last               44
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C30 H20 N2 O2 '
_chemical_formula_structural     'C30 H20 N2 O2 '
_chemical_formula_sum            'C30 H20 N2 O2'
_chemical_formula_weight         440.50
_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                95.25(3)
_cell_angle_beta                 90.18(4)
_cell_angle_gamma                93.82(2)
_cell_formula_units_Z            2
_cell_length_a                   7.226(2)
_cell_length_b                   21.886(4)
_cell_length_c                   6.793(5)
_cell_measurement_temperature    253.2
_cell_volume                     1067.3(9)
_exptl_crystal_density_diffrn    1.371
_cod_original_formula_sum        'C30 H20 N2 O2 '
_cod_database_code               8100528
Crystal structure of (2E,4R13S)-4-hydroxytetradec-2-en-13-olide,
Kaisalo, Leena; Mutikainen, Ilpo; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 41–42; doi:

data_8100529
_publ_section_title
;
Crystal structure of (2E,4R13S)-4-hydroxytetradec-2-en-13-olide,
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              41
_journal_page_last               42
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C14 H24 O3'
_chemical_formula_sum            'C14 H24 O3'
_chemical_formula_weight         240.33
_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                81.52(3)
_cell_angle_beta                 81.54(3)
_cell_angle_gamma                60.64(3)
_cell_formula_units_Z            4
_cell_length_a                   10.809(2)
_cell_length_b                   10.983(2)
_cell_length_c                   13.897(3)
_cell_measurement_temperature    193(2)
_cell_volume                     1416.8(5)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.127
_cod_database_code               8100529
Crystal structure of (eta^5^-pentamethylcyclopentadienyl)(eta^5^-1- (2,2-dimethylpropyl)cyclopentadienyl)(hydroxy)-titaniumchloride, C~20~H~31~ClOTi
Stroot, Jörg; Haase, Detlev; Saak, Wolfgang; Beckhaus, Rüdiger; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 47–48; doi:

data_8100530
_publ_section_title
;
Crystal structure of (eta^5^-pentamethylcyclopentadienyl)(eta^5^-1-
(2,2-dimethylpropyl)cyclopentadienyl)(hydroxy)-titaniumchloride, 
C~20~H~31~ClOTi
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              47
_journal_page_last               48
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C20 H31 Cl O Ti'
_chemical_formula_sum            'C20 H31 Cl O Ti'
_chemical_formula_weight         370.80
_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                 110.027(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.8041(9)
_cell_length_b                   9.2935(4)
_cell_length_c                   17.3475(10)
_cell_measurement_temperature    193(2)
_cell_volume                     1939.4(2)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.270
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100530
Crystal structure of (eta^5^-pentamethylcyclopentadienyl)(eta^5^-1- (2,2-dimethylpropyl)cyclopentadienyl)titaniumdichloride, C~20~H~30~Cl~2~Ti
Stroot, Jörg; Haase, Detlev; Saak, Wolfgang; Beckhaus, Rüdiger; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 49–50; doi:

data_8100531
_publ_section_title
;
Crystal structure of (eta^5^-pentamethylcyclopentadienyl)(eta^5^-1-
(2,2-dimethylpropyl)cyclopentadienyl)titaniumdichloride, C~20~H~30~Cl~2~Ti
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              49
_journal_page_last               50
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C20 H30 Cl2 Ti'
_chemical_formula_sum            'C20 H30 Cl2 Ti'
_chemical_formula_weight         389.24
_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            4
_cell_length_a                   14.3763(8)
_cell_length_b                   12.1045(13)
_cell_length_c                   11.6138(9)
_cell_measurement_temperature    193(2)
_cell_volume                     2021.0(3)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.279
_cod_database_code               8100531
Crystal structure of diaqua(1,10-phenanthroline-N,N')(mu-glutarato- O,O')cobalt(II), Co(H~2~O)~2~(C~12~H~8~N~2~)(C~5~H~6~O~4~)
Zheng, Yue-Qing; Kong, Zu-Ping; Lin, Jian-Li; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 65–66; doi:

data_8100532
_publ_section_title
;
Crystal structure of diaqua(1,10-phenanthroline-N,N')(mu-glutarato-
O,O')cobalt(II), Co(H~2~O)~2~(C~12~H~8~N~2~)(C~5~H~6~O~4~)
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              65
_journal_page_last               66
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C17 H18 Co N2 O6'
_chemical_formula_sum            'C17 H18 Co N2 O6'
_chemical_formula_weight         405.26
_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                 98.680(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.5970(10)
_cell_length_b                   11.9600(10)
_cell_length_c                   18.976(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1704.4(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.579
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8100532