Crystallography Open Database
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Searching space group like 'P c a 21'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2103678 | CIF HKL Paper | C8 H8 Cu N6 O6 | P c a 21 | 10; 8.4519; 14.187 90; 90; 90 | 1199.1 | Yasui, Masanori; Ishikawa, Yoshimitsu; Akiyama, Naoya; Ishida, Takayuki; Nogami, Takashi; Iwasaki, Fujiko Dipyrimidine‒copper(II) dinitrate complexes showing magnetic interactions Acta Crystallographica Section B, 2001, 57, 288-295 |
| 2103708 | CIF HKL Paper | C6 H11 N O2 | P c a 21 | 9.879; 8.41; 8.25 90; 90; 90 | 685.4 | Kálmán, Alajos; Argay, Gyula; Fábián, László; Bernáth, Gábor; Fülöp, Ferenc Basic forms of supramolecular self-assembly organized by parallel and antiparallel hydrogen bonds in the racemic crystal structures of six disubstituted and trisubstituted cyclopentane derivatives Acta Crystallographica Section B, 2001, 57, 539-550 |
| 2103804 | CIF HKL Paper | C8 H17 N2 O5 P | P c a 21 | 20.3011; 6.7692; 8.0158 90; 90; 90 | 1101.55 | Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Zakaria, Choudhury M.; Glidewell, Christopher Phosphonoacetic acid as a building block in supramolecular chemistry: salts with organic polyamines Acta Crystallographica Section B, 2003, 59, 87-99 |
| 2103842 | CIF HKL Paper | C14 H12 N2 O4 | P c a 21 | 23.9702; 3.7416; 14.8372 90; 90; 90 | 1330.7 | Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher Salts of maleic and fumaric acids with organic polyamines: comparison of isomeric acids as building blocks in supramolecular chemistry Acta Crystallographica Section B, 2003, 59, 100-117 |
| 2103864 | CIF HKL Paper | C12.34 H28 N2 O10.34 P2 | P c a 21 | 20.2229; 8.6162; 11.8812 90; 90; 90 | 2070.2 | Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher Phosphonopropionic acid as a building block in supramolecular chemistry: salts with organic diamines Acta Crystallographica Section B, 2003, 59, 248-262 |
| 2104100 | CIF HKL Paper | C13 H9 Cl O2 | P c a 21 | 23.3058; 5.577; 8.2847 90; 90; 90 | 1076.82 | Cox, Philip J.; Kechagias, Dimitrios; Kelly, Orla Conformations of substituted benzophenones Acta Crystallographica Section B, 2008, 64, 206-216 |
| 2105079 | CIF HKL Paper | C12 H9 F N2 O | P c a 21 | 11.302; 11.8371; 7.6218 90; 90; 90 | 1019.67 | Mocilac, Pavle; Donnelly, Katie; Gallagher, John F. Structural systematics and conformational analyses of a 3 × 3 isomer grid of fluoro-<i>N</i>-(pyridyl)benzamides: physicochemical correlations, polymorphism and isomorphous relationships Acta Crystallographica Section B, 2012, 68, 189-203 |
| 2105310 | CIF HKL Paper | C13 H19 B F4 O2 Pd | P c a 21 | 26.2908; 7.1684; 7.7782 90; 90; 90 | 1465.9 | Hill, Tania N.; Roodt, Andreas; Steyl, Gideon Electronic influence of β-diketonato-type ligands on the coordination of 1,5-cyclooctadiene to palladium(II) as defined by `Venus fly trap' geometric parameters Acta Crystallographica Section B, 2013, 69, 36-42 |
| 2105457 | CIF HKL Paper | C16 H10 Br N O3 | P c a 21 | 23.047; 4.8246; 12.075 90; 90; 90 | 1342.7 | Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda Structural characterization of some <i>N</i>-phenyl-4-oxo-4<i>H</i>-2-chromone carboxamides Acta Crystallographica Section B, 2013, 69, 294-309 |
| 2105632 | CIF Paper | C22 H27 N2 O2 | P c a 21 | 30.565; 5.993; 22.032 90; 90; 90 | 4036 | Iwasaki, Fujiko; Yoshikawa, Joseph H.; Yamamoto, Hajime; Takada, Kiwamu; Kan-nari, Eiji; Yasui, Masanori; Ishida, Takayuki; Nogami, Takashi TEMPO radicals showing magnetic interactions. II. 4-(Benzylideneamino)-TEMPO and related compounds Acta Crystallographica Section B, 1999, 55, 1057-1067 |
| 2105774 | CIF HKL Paper | C7 H11 Eu O8 | P c a 21 | 17.4543; 7.8087; 14.9761 90; 90; 90 | 2041.2 | Cañadillas-Delgado, Laura; Fabelo, Óscar; Pasán, Jorge; Déniz, Mariadel; Martínez-Benito, Carla; Díaz-Gallifa, Pau; Martín, Tomás; Ruiz-Pérez, Catalina Three new europium(III) methanetriacetate metal-organic frameworks: the influence of synthesis on the product topology Acta Crystallographica Section B, 2014, 70, 19-27 |
| 2105948 | CIF HKL Paper | C20 H22 Cd I2 N2 O4 | P c a 21 | 13.5307; 7.0913; 49.11 90; 90; 90 | 4712.1 | Merkens, Carina; Truong, Khai-Nghi; Englert, Ulli 3-(4-Pyridyl)-acetylacetone ‒ a fully featured substituted pyridine and a flexible linker for complex materials Acta Crystallographica Section B, 2014, 70, 705-713 |
| 2106020 | CIF HKL Paper | C3 H12 Mo0.2 N6 O4 S4 Zn0.75 | P c a 21 | 11.153; 7.7691; 15.408 90; 90; 90 | 1335.1 | Rajasekar, M.; Muthu, K.; Aditya Prasad, A.; Agilandeshwari, R.; Meenakshisundaram, SP Synthesis, growth, structure and characterization of molybdenum zinc thiourea complex crystals Acta Crystallographica Section B, 2015, 71 |
| 2106472 | CIF | Bi2 Mo O6 | P c a 21 | 5.487; 16.226; 5.506 90; 90; 90 | 490.211 | van den Elzen, A.F.; Rieck, G.D. Redetermination of the structure of Bi2 Mo O6, koechlinite Acta Crystallographica B (24,1968-38,1982), 1973, 29, 2436-2438 |
| 2106818 | CIF | H O7 P Te2 | P c a 21 | 10.239; 7.018; 7.933 90; 90; 90 | 570.044 | Alcock, N.W.; Harrison, W.D. Refinement of the Structure of Tellurium Phosphate Te2 O3 H P O4 Acta Crystallographica B (24,1968-38,1982), 1982, 38, 1809-1811 |
| 2106920 | CIF | Ge Pt Se | P c a 21 | 6.015; 6.072; 5.992 90; 90; 90 | 218.846 | Entner, P.; Parthe, E. Pt Ge Se with cobaltite structure, a ternary variant of the pyrite structure Acta Crystallographica B (24,1968-38,1982), 1973, 29, 1557-1560 |
| 2107029 | CIF | C5 H4 Ba Fe N6 O3 | P c a 21 | 19.471; 7.631; 8.609 90; 90; 90 | 1279.15 | Lanfranconi, A.H.; Alvarez, A.G.; Castellano, E.E. The crystal and molecular structure of barium nitroprusside dihydrate Acta Crystallographica B (24,1968-38,1982), 1973, 29, 1733-1734 |
| 2107400 | CIF | Cl H I2 K2 O6 | P c a 21 | 15.1; 6.594; 8.611 90; 90; 90 | 857.392 | Lanfredi, A.M.M.; Pellinghelli, M.A.; Tiripicchio, A. The crystal structure of dipotassium hydrogen diiodate(V) chloride Acta Crystallographica B (24,1968-38,1982), 1972, 28, 1822-1826 |
| 2107426 | CIF | C H6 Cl3 N2 O2 Re S | P c a 21 | 11.032; 7.083; 11.166 90; 90; 90 | 872.507 | Lis, T. trans-(Oxoaqua)trichlorothiourearhenium(V), Re O (H2 O) Cl3 Tu Acta Crystallographica B (24,1968-38,1982), 1977, 33, 944-946 |
| 2108252 | CIF HKL | Bi2 O6 W | P c a 21 | 5.4345; 16.4324; 5.4558 90; 90; 90 | 487.21 | Okudera, Hiroki; Sakai, Yuka; Yamagata, Kentaro; Takeda, Hiroaki Structure of russellite (Bi~2~WO~6~): origin of ferroelectricity and the effect of the stereoactive lone electron pair on the structure Acta Crystallographica Section B, 2018, 74, 295-303 |
| 2108304 | CIF HKL Paper | C14 H9 Cl F3 N O | P c a 21 | 7.7658; 19.1333; 8.8369 90; 90; 90 | 1313.03 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108312 | CIF HKL Paper | C14 H9 Br F3 N O | P c a 21 | 7.8062; 19.3; 8.8433 90; 90; 90 | 1332.33 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108319 | CIF HKL Paper | C14 H9 F3 I N O | P c a 21 | 7.9499; 19.6384; 8.8397 90; 90; 90 | 1380.08 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108364 | CIF HKL | C17 H10 N2 | P c a 21 | 7.394; 10.953; 29.06 90; 90; 90 | 2353 | Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry Acta Crystallographica Section B, 2019, 75, 97-106 |
| 2108420 | CIF HKL | C18 H16 Cl2 Co N4 | P c a 21 | 14.8764; 8.9742; 26.8271 90; 90; 90 | 3581.5 | Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes Acta Crystallographica Section B, 2019, 75 |
| 2108632 | CIF HKL | C22 H17 F4 N O | P c a 21 | 16.559; 17.595; 6.1048 90; 90; 90 | 1778.7 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
| 2108721 | CIF HKL Paper | C25 H34 O2 S | P c a 21 | 54.285; 5.5843; 14.8411 90; 90; 90 | 4499 | Deptuch, Aleksandra; Jaworska-Gołab, Teresa; Kusz, Joachim; Ksiażek, Maria; Nagao, Keigo; Matsumoto, Takashi; Yamano, Akihito; Ossowska-Chruściel, Mirosława D.; Chruściel, Janusz; Marzec, Monika Single crystal X-ray structure determination and temperature-dependent structural studies of the smectogenic compound 7OS5 Acta Crystallographica Section B, 2020, 76 |
| 2108893 | CIF HKL | C12 H11 N O5 | P c a 21 | 13.6648; 11.9321; 12.9678 90; 90; 90 | 2114.4 | Iqbal, Alia; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood Crystal engineering of co-crystal of nicotinic acid and pyrogallol: an experimental and theoretical electron density analysis Acta Crystallographica Section B, 2021, 77, 1035-1047 |
| 2108894 | CIF | C12 H11 N O5 | P c a 21 | 13.6648; 11.9321; 12.9678 90; 90; 90 | 2114.4 | Iqbal, Alia; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood Crystal engineering of co-crystal of nicotinic acid and pyrogallol: an experimental and theoretical electron density analysis Acta Crystallographica Section B, 2021, 77, 1035-1047 |
| 2108895 | CIF | C12 H11 N O5 | P c a 21 | 13.6648; 11.9321; 12.9678 90; 90; 90 | 2114.4 | Iqbal, Alia; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood Crystal engineering of co-crystal of nicotinic acid and pyrogallol: an experimental and theoretical electron density analysis Acta Crystallographica Section B, 2021, 77, 1035-1047 |
| 2108896 | CIF HKL | C12 H11 N O5 | P c a 21 | 13.6648; 11.9321; 12.9678 90; 90; 90 | 2114.4 | Iqbal, Alia; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood Crystal engineering of co-crystal of nicotinic acid and pyrogallol: an experimental and theoretical electron density analysis Acta Crystallographica Section B, 2021, 77, 1035-1047 |
| 2108936 | CIF HKL | C18 H15 F N O3 P | P c a 21 | 35.0174; 7.3265; 12.927 90; 90; 90 | 3316.5 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
| 2200045 | CIF HKL Paper | C17 H11 N3 O2 | P c a 21 | 16.397; 10.819; 7.6737 90; 90; 90 | 1361.3 | Lynch, Daniel E.; McClenaghan, Ian <i>N</i>-(8-Quinolylamino)phthalimide Acta Crystallographica Section E, 2001, 57, o16-o17 |
| 2200096 | CIF HKL Paper | C12 H8 N2 | P c a 21 | 19.141; 3.8417; 11.564 90; 90; 90 | 850.3 | Bond, Andrew D.; Shan, Ning; Jones, William 4,7-Phenanthroline Acta Crystallographica Section E, 2001, 57, o145-o146 |
| 2200237 | CIF HKL Paper | C15 H16 Br N O4 | P c a 21 | 27.307; 4.6228; 12.5888 90; 90; 90 | 1589.1 | Skakle, Janet M. S.; Smyth, Gregory; Wardell, Solange M. S. V. Isopropyl 2-bromo-4-(<i>N</i>-phthalimido)butanoate Acta Crystallographica Section E, 2001, 57, o300-o302 |
| 2200418 | CIF HKL Paper | C8 H7 B F3 K | P c a 21 | 7.0265; 18.9749; 7.1157 90; 90; 90 | 948.72 | Thadani, Avinash N.; Batey, Robert A.; Smil, David V.; Lough, Alan J. Potassium trifluoro[(<i>E</i>)-2-phenyl-1-ethenyl]borate Acta Crystallographica Section E, 2001, 57, m333-m334 |
| 2200664 | CIF Paper | C21 H16 N2 O | P c a 21 | 22.9292; 9.5033; 7.5152 90; 90; 90 | 1637.59 | Hoong-Kun Fun; Suchada Chantrapromma; Ibrahim Abdul Razak; Anwar Usman; Wen Ma; Yu Peng Tian; Sheng Yi Zhang; Wu Jie Ying; Fu Xin Xie <i>p</i>-Methoxybenzaldehyde 9-fluorenylidenehydrazone Acta Crystallographica Section E, 2001, 57, o1043-o1044 |
| 2200736 | CIF HKL Paper | C32 H32 Ca O2 | P c a 21 | 16.1497; 8.6805; 35.047 90; 90; 90 | 4913.2 | Sinnema, Piet-Jan; Twamley, Brendan; Shapiro, Pamela J. ansa-Calcocenes: <i>rac</i>-[bis(3,3'-biacenaphthylenido)]bis(tetrahydrofuran)calcium Acta Crystallographica Section E, 2001, 57, m438-m440 |
| 2200962 | CIF HKL Paper | C12 H16 B N O2 | P c a 21 | 13.3725; 9.7045; 8.92 90; 90; 90 | 1157.58 | Thadani, Avinash N.; Batey, Robert A.; Lough, Alan J.; Smil, David V. (<i>E</i>)-2-Styryl-[1,3,6,2]dioxazaborolane Acta Crystallographica Section E, 2002, 58, o238-o239 |
| 2201177 | CIF HKL Paper | C8 H14 N O2 P | P c a 21 | 9.6912; 13.389; 7.1699 90; 90; 90 | 930.3 | Angelov, Christo M.; Mazzuca, Dean A.; van den Heever, Johan P.; McDonald, Robert; McEwen, Alexander J. B.; Mercer, John R.; 2-(3-Methyl-1,2-butadienyl)-2-oxo-1,3,2-oxazaphosphorinane 2-(3-Methyl-1,2-butadienyl)-2-oxo-1,3,2-oxazaphosphorinane Acta Crystallographica Section E, 2002, 58, o399-o401 |
| 2201399 | CIF HKL Paper | C18 H13 N O | P c a 21 | 12.3964; 4.961; 21.33 90; 90; 90 | 1311.8 | Vasuki, G.; Parthasarathi, V.; Ramamurthi, K.; Mohane Coumar, S.; Jindal, D. P. 2-(1<i>H</i>-Indol-3-ylmethylene)indane-1-one Acta Crystallographica Section E, 2002, 58, o1222-o1223 |
| 2201445 | CIF HKL Paper | C17 H14 O3 | P c a 21 | 9.224; 15.2406; 9.2898 90; 90; 90 | 1305.95 | Anwar Usman; Ibrahim Abdul Razak; Hoong-Kun Fun; Suchada Chantrapromma; Yan Zhang; Jian-Hua Xu 10-Acetonyl-10-hydroxyphenanthren-9(10<i>H</i>)-one Acta Crystallographica Section E, 2002, 58, o956-o958 |
| 2201804 | CIF HKL Paper | C13 H11 N O4 | P c a 21 | 22.5838; 3.7273; 13.2912 90; 90; 90 | 1118.81 | Shan, Ning; Batchelor, Elaine; Jones, William Quinolinium fumarate Acta Crystallographica Section E, 2003, 59, o397-o398 |
| 2201832 | CIF HKL Paper | C18 H29 N S | P c a 21 | 21.208; 11.678; 13.974 90; 90; 90 | 3460.9 | Katarzyna Baranowska; Jaroslaw Chojnacki; Barbara Becker; Wieslaw Wojnowski Dicyclohexylammonium benzenethiolate Acta Crystallographica Section E, 2003, 59, o765-o766 |
| 2201982 | CIF HKL Paper | C16 H14 N2 S | P c a 21 | 22.775; 5.381; 10.587 90; 90; 90 | 1297.5 | Luck, Rudy L.; Li, Kexue; Bates, Dallas K. 6-Methyl-11<i>a</i>,12-dihydro-6<i>H</i>-quino[3,2-<i>b</i>][1,4]benzothiazine: an amidine formed under unusual conditions Acta Crystallographica Section E, 2003, 59, o302-o303 |
| 2202126 | CIF HKL Paper | C26 H20 N2 | P c a 21 | 12.8014; 10.4027; 28.503 90; 90; 90 | 3795.7 | Megzari, Ahmed; El Bali, Brahim; Janati, Tajdine; Kerbal, Abdelali; Benlarbi, Najib; Benhadda, Taibi; Mimouni, Mustapha; Bolte, Michael 3-(Anthracen-9-ylmethylene)-2,4-dimethyl-3<i>H</i>-benzo[1,5]diazepine Acta Crystallographica Section E, 2003, 59, o606-o607 |
| 2202253 | CIF HKL Paper | C19 H15 N O2 | P c a 21 | 7.6712; 5.6251; 32.773 90; 90; 90 | 1414.2 | Arrieta, Antonio F.; Mostad, Arvid 5-(1<i>H</i>-Indol-3-yl)-1-phenylpent-4-ene-1,3-dione Acta Crystallographica Section E, 2003, 59, o524-o526 |
| 2202402 | CIF HKL Paper | C22 H14 N4 O4 | P c a 21 | 11.749; 7.498; 21.028 90; 90; 90 | 1852.4 | Lü, Xingqiang; Zhang, Li; Chen, Chunlong; Su, Chengyong; Kang, Beisheng; Ng, Seik Weng <i>N,N</i>'-Bis(2-pyridylmethyl)pyromellitic diimide Acta Crystallographica Section E, 2003, 59, o1891-o1893 |
| 2202496 | CIF HKL Paper | C12 H7 N3 O9 S | P c a 21 | 27.73; 4.7374; 10.78 90; 90; 90 | 1416.15 | Vembu, Nagarajan; Nallu, Maruthai; Spencer, Elinor C.; Howard, Judith A. K. 2,4-Dinitrophenyl 3-nitrobenzenesulfonate Acta Crystallographica Section E, 2003, 59, o1387-o1389 |
| 2202532 | CIF HKL Paper | C7 H9 Co N O7 | P c a 21 | 16.082; 6.745; 8.467 90; 90; 90 | 918.4 | Zhang, Xian-Ming; Fang, Rui-Qin; Wu, Hai-Shun; Ng, Seik Weng <i>catena</i>-Poly[[triaquacobalt(II)]-μ-2,3-pyridinedicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^3^] Acta Crystallographica Section E, 2003, 59, m1143-m1145 |
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