Crystallography Open Database

Result: there are 3181 entries in the selection

Switch to the old layout of the page

Download all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)

Searching space group like 'P 1 21/a 1'

Blue left arrow Blue left arrow First | Blue left arrow Previous 50 | of 64 | Next 50 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

COD ID Blue up arrow Links Formula Up arrow Space group Up arrow Cell parameters Cell volume Up arrow Bibliography
7228326 CIFC30 H62 Co N3 O6 S2 Si2P 1 21/a 19.592; 33.01; 14.296
90; 103.94; 90
4393Kowalkowska, Daria; Dołęga, Anna; Nedelko, Natalia; Hnatejko, Zbigniew; Ponikiewski, Łukasz; Matracka, Alicja; Ślawska-Waniewska, Anna; Strągowska, Alicja; Słowy, Klaudia; Gazda, Maria; Pladzyk, Agnieszka
Structural, spectral and magnetic properties of Ni(II), Co(II) and Cd(II) compounds with imidazole derivatives and silanethiolate ligands
CrystEngComm, 2017
7228637 CIFF4 K MnP 1 21/a 17.699; 7.644; 5.769
90; 90.54; 90
339.5Molinier, Michel; Massa, Werner
The crystal structures of the tetrafluoromanganates(III) AMnF4 (A = K, Rb, Cs)
Zeitschrift fur Naturforschung, 1992, 783-788
7228638 CIFF4 Mn RbP 1 21/a 17.822; 7.777; 6.05
90; 90.83; 90
368Molinier, Michel; Massa, Werner
The crystal structures of the tetrafluoromanganates(III) AMnF4 (A = K, Rb, Cs)
Zeitschrift fur Naturforschung, 1992, 783-788
7229962 CIFC13 H16 N2 O3P 1 21/a 17.339; 14.815; 11.777
90; 97.495; 90
1269.5Dankhoff, Katja; Weber, Birgit
Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties
CrystEngComm, 2018, 20, 818
7230389 CIFC36 H28 Br0.5 N3 O12P 1 21/a 112.854; 9.8269; 14.2696
90; 94.215; 90
1797.6Bakthadoss, Manickam; Mushaf, Mohammad
A distal vinyl shift (DVS) through quadruple domino reaction: synthesis of N-vinyl benzoheterocyclic scaffolds
RSC Advances, 2018, 8, 12152
7230639 CIFC24 H15 N3 O13 TbP 1 21/a 115.308; 15.9; 11.58
90; 118.12; 90
2485.8Ren, Yi-Xia; Zhao, Xiao-Long; Wang, Zhi-Xiang; Pan, Yong; Li, Hui-Ping; Wang, Fei-Yan; Zhu, Shao-Feng; Shao, Chen-Hui
Effects of template molecules on the structures and luminescence intensities of a series of porous Tb-MOFs based on the 2-nitroterephthalate ligand
RSC Advances, 2018, 8, 17497
7231013 CIFC9 H21 Cl2 N3 O6 SrP 1 21/a 18.793; 10.3957; 17.9
90; 91.982; 90
1635.2Clulow, Rebecca; Lightfoot, Philip
New sarcosine‒metal halide complexes related to ferroelectric TSCC
CrystEngComm, 2018, 20, 4012
7231015 CIFC9 H21 Cl2 N3 O6 SrP 1 21/a 18.7535; 10.3752; 17.8337
90; 91.867; 90
1618.8Clulow, Rebecca; Lightfoot, Philip
New sarcosine‒metal halide complexes related to ferroelectric TSCC
CrystEngComm, 2018, 20, 4012
7231108 CIFC40 H30 Br0 N8 O6 Re2 S4P 1 21/a 110.2951; 16.0225; 13.4259
90; 104.251; 90
2146.5Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.
Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups
CrystEngComm, 2018, 20, 4781
7233195 CIFC30 H38 N2 O2P 1 21/a 17.682; 27.931; 12.387
90; 97.151; 90
2637Tomohiro Hirade; Yumi Okui; Mina Han
A design strategy for stable light-sensitive palladium complexes
Journal of Materials Chemistry C, 2013, 1, 2672-2679
7233197 CIFC48 H46 Er F9 N2 O6P 1 21/a 116.463; 14.2801; 21.6052
90; 99.901; 90
5003.6Pablo Martin-Ramos; Manuela Ramos Silva; Carmen Coya; Carlos Zaldo; Angel Luis Alvarez; Susana Alvarez-Garcia; Ana M. Matos Beja; Jesus Martin-Gil
Novel erbium(III) fluorinated beta-diketonate complexes with N,N-donors for optoelectronics: from synthesis to solution-processed devices
Journal of Materials Chemistry C, 2013, 1, 2725-2734
7233217 CIFC20 H8 N2 S4P 1 21/a 117.064; 3.894; 25.72
90; 108.82; 90
1618Yongfa Xie; Takuya Fujimoto; Simon Dalgleish; Yoshiaki Shuku; Michio M. Matsushita; Kunio Awaga
Synthesis, optical properties and charge transport characteristics of a series of novel thiophene-fused phenazine derivatives
Journal of Materials Chemistry C, 2013, 1, 3467-3481
7233680 CIFC12 H15 Au Cl N OP 1 21/a 115.307; 5.912; 15.3931
90; 106.796; 90
1333.6Kaori Fujisawa; Yuki Okuda; Yuichi Izumi; Akira Nagamatsu; Yuki Rokusha; Yusuke Sadaike; Osamu Tsutsumi
Reversible thermal-mode control of luminescence from liquid-crystalline gold(I) complexes
Journal of Materials Chemistry C, 2014, 2, 3549-3555
7233681 CIFC13 H17 Au Cl N OP 1 21/a 120.744; 7.279; 21.511
90; 116.686; 90
2902.1Kaori Fujisawa; Yuki Okuda; Yuichi Izumi; Akira Nagamatsu; Yuki Rokusha; Yusuke Sadaike; Osamu Tsutsumi
Reversible thermal-mode control of luminescence from liquid-crystalline gold(I) complexes
Journal of Materials Chemistry C, 2014, 2, 3549-3555
7234454 CIFC23 H21 N3 O2P 1 21/a 17.4142; 16.069; 15.802
90; 93.08; 90
1879.9F. Grepioni; S. d'Agostino; D. Braga; A. Bertocco; L. Catalano; B. Ventura
Fluorescent crystals and co-crystals of 1,8-naphthalimide derivatives: synthesis, structure determination and photophysical characterization
Journal of Materials Chemistry C, 2015, 3, 9425-9434
7235021 CIFC20 H32 Cl4 Cu N2P 1 21/a 17.262; 7.4725; 23.2818
90; 91.999; 90
1262.62Bo Huang; Bao-Ying Wang; Zi-Yi Du; Wei Xue; Wei-Jian Xu; Yu-Jun Su; Wei-Xiong Zhang; Ming-Hua Zeng; Xiao-Ming Chen
Importing spontaneous polarization into a Heisenberg ferromagnet for a potential single-phase multiferroic
Journal of Materials Chemistry C, 2016, 4, 8704-8710
7235547 CIFC78 H72 B Cl P4 RuP 1 21/a 117.742; 19.095; 19.603
90; 97.922; 90
6578Das, Uttam Kumar; Jena, Rajesh K.; Bhattacharjee, Manish
Synthesis, structure and catalytic properties of [Ru(dppp)2(CH3CN)Cl][BPh4] and isolation of catalytically active [Ru(dppp)2Cl][BPh4]: ruthenium catalysed alkyne homocoupling and tandem alkyne‒azide cycloaddition
RSC Adv., 2014, 4, 21964
7235647 CIFC17 H21 NP 1 21/a 112.2168; 8.6679; 12.9252
90; 98.611; 90
1353.27Marquise, Nada; Bretel, Guillaume; Lassagne, Frédéric; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Gros, Philippe C.; Mongin, Florence
Deproto-metallation using mixed lithium‒zinc and lithium‒copper bases and computed CH acidity of 2-substituted quinolines
RSC Adv., 2014, 4, 19602
7236854 CIFC19 H28 B10 SiP 1 21/a 110.1119; 16.5353; 12.9542
90; 90.332; 90
2165.95Naito, Hirofumi; Nishino, Kenta; Morisaki, Yasuhiro; Tanaka, Kazuo; Chujo, Yoshiki
Highly-efficient solid-state emissions of anthracene‒o-carborane dyads with various substituents and their thermochromic luminescence properties
Journal of Materials Chemistry C, 2017, 5, 10047
7237035 CIFC16 H14 S4P 1 21/a 18.7379; 6.35286; 13.4028
90; 90.3908; 90
743.98Wang, Chengyuan; Nakamura, Hiroshi; Sugino, Hiroyoshi; Takimiya, Kazuo
Thiacycle-fused benzo[1,2-b:4,5-b′]dithiophenes (BDTs): synthesis, packing, molecular orientation and semiconducting properties
Journal of Materials Chemistry C, 2018, 6, 3604
7238141 CIFC8 H8 Cl N OP 1 21/a 113.498; 4.3186; 14.938
90; 111.365; 90
810.9Omondi, B.; Fernandes, M. A.; Layh, M.; Levendis, D. C.; Look, J. L.; Mkwizu, T. S. P.
Polymorphism and phase transformations in 2,6-disubstituted N-phenylformamides: the influence of hydrogen bonding, chloro-methyl exchange, intermolecular interactions and disorder
CrystEngComm, 2005, 7, 690
7239007 CIFC9 H15 N O3 SP 1 21/a 17.4816; 15.2728; 9.6621
90; 97.115; 90
1095.54Awheda, Ismail; Saygili, Nezire; Garner, A. Christopher; Wallis, John D.
Activation and regioselectivity of five-membered cyclic thionocarbamates to nucleophilic attack
RSC Advances, 2013, 3, 24997
7239076 CIFC52 H35 N3P 1 21/a 110.7889; 19.9049; 17.5852
90; 106.621; 90
3618.67Chen, Chien-Tien; Chao, Wei-Shan; Liu, Hao-Wei; Wei, Yi; Jou, Jwo-Huei; Kumar, Sudhir
Spirally configured cis-stilbene/fluorene hybrids as ambipolar, fluorescent materials for organic light emitting diode applications
RSC Advances, 2013, 3, 9381
7239247 CIFC28 H44 Cu N6 O16P 1 21/a 114.0765; 9.4805; 15.3959
90; 116.278; 90
1842.29Shankar, Krapa; Das, Babulal; Baruah, Jubaraj B.
Organic cations controlling the nuclearity of copper(ii) 2,5-pyridinedicarboxylates
RSC Advances, 2013, 3, 26220
7239401 CIFC25 H21 N3 O6P 1 21/a 19.6442; 14.035; 15.9534
90; 91.025; 90
2159Ahadi, Somayeh; Kamranifard, Telma; Armaghan, Mahsa; Khavasi, Hamid Reza; Bazgir, Ayoob
Domino Knoevenagel condensation‒Michael addition‒cyclization for the diastereoselective synthesis of dihydrofuropyrido[2,3-d]pyrimidines via pyridinium ylides in water
RSC Advances, 2014, 4, 7296
7240151 CIFC17 H21.86 Cl F N3 O4.43P 1 21/a 17.02521; 19.6681; 12.9331
90; 90.7338; 90
1786.85Putra, Okky Dwichandra; Pettersen, Anna; Yonemochi, Etsuo; Uekusa, Hidehiro
Structural Origin of Physicochemical Properties Differences upon Dehydration and Polymorphic Transformation of Ciprofloxacin Hydrochloride Revealed by Structure Determination from Powder X-ray Diffraction Data
CrystEngComm, 2020
7240456 CIFC4 I N O S3P 1 21/a 19.017; 9.118; 9.594
90; 95.676; 90
784.9Hachem, Hadi; Jeannin, olivier; Fourmigue, Marc; Barriere, Frederic; Lorcy, Dominique
Halogen bonded metal bis(dithiolene) 2D frameworks
CrystEngComm, 2020
7241132 CIFC20 H19 N O3P 1 21/a 114.1749; 16.1144; 14.9624
90; 91.976; 90
3415.7Bakthadoss, Manickam; Reddy, Tadiparthi Thirupathi; Sharada, Duddu S.
Ruthenium-catalyzed, site-selective C–H activation: access to C5-substituted azaflavanone
RSC Advances, 2020, 10, 31570-31574
7243823 CIFC15 H14 Br2 Cl2 I2 N2 OP 1 21/a 110.9816; 15.6952; 13.8514
90; 110.729; 90
2232.86Milašinović, Valentina; Molčanov, Krešimir
Novel co-crystals with π-hole interactions between iodide anions and quinoid rings involving charge transfer
CrystEngComm, 2021, 23, 8209-8214
7244528 CIFC43 H41 Cl N5 O3 P PdP 1 21/a 19.5617; 39.729; 10.2744
90; 92.477; 90
3899.4Morla, Jhansi Rani; Nareddula, Dastagiri Reddy
Synthesis of dihydroisoquinolinone-4-methylboronic esters via domino Heck/borylation using a structurally characterized palladacycle as a catalyst
RSC Advances, 2022, 12, 6762-6771
7244636 CIFC14 H13 N O2P 1 21/a 111.8013; 6.8401; 14.1778
90; 91.9732; 90
1143.78Tao, Yang; Liu, Xiaoting; Zhoujin, Yunping; Zhou, Panpan; Parkin, Sean R.; Li, Tonglei; Guo, Ju; Yu, Faquan; Long, Sihui
Conformational Flexibility and Substitution Pattern Lead to Polymorphism of 3-Methyl-2-(phenylamino)benzoic acid
CrystEngComm, 2022
7245071 CIFC22 H18 N6 O10P 1 21/a 112.1477; 7.4576; 13.8322
90; 114.653; 90
1138.9Ramesh, Deepthi; Mohanty, Amaresh Kumar; De, Anirban; Vijayakumar, Balaji Gowrivel; Sethumadhavan, Aiswarya; Muthuvel, Suresh Kumar; Mani, Maheswaran; Kannan, Tharanikkarasu
Uracil derivatives as HIV-1 capsid protein inhibitors: design, in silico, in vitro and cytotoxicity studies
RSC Advances, 2022, 12, 17466-17480
7245739 CIFC3 H6 OP 1 21/a 18.9833; 4.2238; 9.4734
90; 97.508; 90
356.37Maynard-Casely, Helen E; Yevstigneyev, Nikita S.; Duyker, Samuel G.; Ennis, Courtney
The crystal structure, thermal expansion and far-IR spectrum of propanal (CH<sub>3</sub>CH<sub>2</sub>CHO) determined using powder X-ray diffraction, neutron scattering, periodic DFT and synchrotron techniques.
Physical chemistry chemical physics : PCCP, 2021, 24, 122-128
7246604 CIFEu S2P 1 21/a 17.909; 3.95477; 7.94357
90; 90.0831; 90
248.461Ekimov, E. A.; Nikolaev, S. N.; Ivanova, A. G.; Sidorov, V. A.; Shiryaev, A. A.; Usmanov, I. I.; Vasiliev, A. L.; Artemov, V. V.; Kondrin, M. V.; Chernopitsskiy, M. A.; Krivobok, V. S.
Structural, optical and transport properties of layered europium disulfide synthesized under high pressure
CrystEngComm, 2023, 25, 2966-2978
7246665 CIFC12 H10 N2 S8P 1 21/a 114.498; 7.5276; 16.6742
90; 111.731; 90
1690.4Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique
Non-covalent interactions in neutral and oxidized tetrathiafulvalenes
CrystEngComm, 2023, 25, 2946-2958
7247853 CIFC36 H43 N7 O6P 1 21/a 110.9638; 22.3683; 14.3096
90; 102.531; 90
3425.7Saletti, Mario; Venditti, Jacopo; Paolino, Marco; Zacchei, Arianna; Giuliani, Germano; Giorgi, Gianluca; Bonechi, Claudia; Donati, Alessandro; Cappelli, Andrea
A tri(ethylene glycol)-tethered Morita–Baylis–Hillman dimer in the formation of macrocyclic crown ether-paracyclophane hybrid structures
RSC Advances, 2023, 13, 35773-35780
7700041 CIFC44 H42 N4 O22 Zn6P 1 21/a 114.03; 23.66; 15.82
90; 113.39; 90
4820Gheorghe, Andreea; Imaz, Inhar; van der Vlugt, Jarl Ivar; Maspoch, Daniel; Tanase, Stefania
Tuning the supramolecular isomerism of MOF-74 by controlling the synthesis conditions
Dalton Transactions, 2019
7701180 CIFC15 H19 Br Cu N2 O4P 1 21/a 17.9002; 18.0037; 11.387
90; 94.962; 90
1613.54Dankhoff, Katja; Gold, Madeleine; Kober, Luisa; Schmitt, Florian; Pfeifer, Lena; Dürrmann, Andreas; Kostrhunova, Hana; Rothemund, Matthias; Brabec, Viktor; Schobert, Rainer; Weber, Birgit
Copper(ii) complexes with tridentate Schiff base-like ligands: solid state and solution structures and anticancer activity.
Dalton transactions (Cambridge, England : 2003), 2019, 48, 15220-15230
7701406 CIFC10 H21 N3 O10 TiP 1 21/a 17.9665; 30.139; 13.215
90; 104.765; 90
3068.18Yang, Yu-chen; Liu, Qiong-Xin; Zhou, Zhao-Hui; Wan, Huilin
Regioselective conversions of H4pdta (1,2-propanediaminetetraacetic acid) and H4eed3a to their triacetates on peroxotitanates
Dalton Transactions, 2019
7701888 CIFC14 H19 B Cl2 Mo N4 O2 S2P 1 21/a 17.5475; 18.8361; 14.6355
90; 101.684; 90
2037.55Abernethy, Robyn J.; Foreman, Mark R St-J; Hill, Anthony F.; Smith, Matthew K.; Willis, Anthony C.
Relative hemilabilities of H<sub>2</sub>B(az)<sub>2</sub> (az = pyrazolyl, dimethylpyrazolyl, methimazolyl) chelates in the complexes [M(η-C<sub>3</sub>H<sub>5</sub>)(CO)<sub>2</sub>{H<sub>2</sub>B(az)<sub>2</sub>}] (M = Mo, W).
Dalton transactions (Cambridge, England : 2003), 2020, 49, 781-796
7701891 CIFC14 H19 B Cl2 N4 O2 S2 WP 1 21/a 17.5455; 18.7786; 14.5838
90; 101.486; 90
2025.05Abernethy, Robyn J.; Foreman, Mark R St-J; Hill, Anthony F.; Smith, Matthew K.; Willis, Anthony C.
Relative hemilabilities of H<sub>2</sub>B(az)<sub>2</sub> (az = pyrazolyl, dimethylpyrazolyl, methimazolyl) chelates in the complexes [M(η-C<sub>3</sub>H<sub>5</sub>)(CO)<sub>2</sub>{H<sub>2</sub>B(az)<sub>2</sub>}] (M = Mo, W).
Dalton transactions (Cambridge, England : 2003), 2020, 49, 781-796
7702138 CIFC40.5 H17 Au2 Cl Cu2 F20 N8P 1 21/a 110.7353; 16.2907; 13.7091
90; 95.421; 90
2386.8Donamaría, Rocío; Fernández, Eduardo J; López-de-Luzuriaga, José M; Monge, Miguel; Olmos, M. Elena; Pascual, David; Rodríguez-Castillo, María
New Au(i)-Cu(i) heterometallic complexes: the role of bridging pyridazine ligands in the presence of unsupported metallophilic interactions.
Dalton transactions (Cambridge, England : 2003), 2017, 46, 10941-10949
7702364 CIFC24 H13 O8 P Re2 SP 1 21/a 19.367; 30.236; 9.481
90; 105.37; 90
2589.2Deeming, Antony J.; Shinhmar, Mukesh K.; Arce, Alejandro J.; De Sanctis, Ysaura
Two different types of 2-thienyl bridge in dinuclear manganese and rhenium compounds
Journal of the Chemical Society, Dalton Transactions, 1999, 1153
7702483 CIFC12 H30 Cl3 N3 Pd3 Se3P 1 21/a 110.7805; 13.1187; 16.6749
90; 95.899; 90
2345.8Dey, Sandip; Jain, Vimal K.; Chaudhury, Satyajeet; Knoedler, Axel; Lissner, Falk; Kaim, Wolfgang
2-(Dimethylamino)ethaneselenolates of palladium(II): synthesis, structure, spectroscopy and transformation into palladium selenide
Journal of the Chemical Society, Dalton Transactions, 2001, 723
7702494 CIFC32 H58 N8 O27 S3 Zn3P 1 21/a 116.5362; 13.789; 22.407
90; 111.652; 90
4748.7Arnold, Phillip J.; Davies, Sian C.; Dilworth, Jonathan R.; Durrant, Marcus C.; Griffiths, D. Vaughan; Hughes, David L.; Richards, Raymond L.; Sharpe, Philip C.
Copper complexes of the functionalised tripodal ligand tris(2-pyridyl)methylamine and its derivatives †
Journal of the Chemical Society, Dalton Transactions, 2001, 736
7702507 CIFC63 H58 Cl N4 O15 ReP 1 21/a 115.947; 23.9; 16.64
90; 96.769; 90
6298Cooper, James B.; Drew, Michael G. B.; Beer, Paul D.
Heteroditopic rhenium(I) and ruthenium(II) bipyridyl calix[4]arene receptors for binding cation‒anion ion pairs
Journal of the Chemical Society, Dalton Transactions, 2001, 392
7702526 CIFC11 H18 Br Cl Cu N4 O4P 1 21/a 17.95; 22.307; 18.298
90; 90; 90
3245Félix, Vitor; Costa, Judite; Delgado, Rita; Drew, Michael G. B.; Duarte, Maria Teresa; Resende, Catarina
X-Ray diffraction and molecular mechanics studies of 12-, 13-, and 14-membered tetraaza macrocycles containing pyridine: effect of the macrocyclic cavity size on the selectivity of the metal ion
Journal of the Chemical Society, Dalton Transactions, 2001, 1462
7702544 CIFC23 H27 B2 Eu N12 O2P 1 21/a 114.927; 12.871; 15.254
90; 102.09; 90
2866Lawrence, Royston G.; Hamor, Thomas A.; Jones, Christopher J.; Paxton, Keith; Rowley, Natalie M.
Structural studies of some mono- and bi-nuclear heteroleptic trispyrazolyborate complexes containing eight-co-oordinated europium and gadolinium†
Journal of the Chemical Society, Dalton Transactions, 2001, 2121
7702608 CIFC16 H34 N2 Ni2 O20P 1 21/a 17.779; 15.561; 11.124
90; 99.07; 90
1329.7Ikeda, Kazuhide; Ohba, Masaaki; ÅŒkawa, Hisashi
Dinuclear CuII and NiII complexes of 3-formylsalicylic acid oxime: cis/trans topology and extension of a cis-CuII2 complex to a pentanuclear CuIICuIIMnIICuIICuII complex
Journal of the Chemical Society, Dalton Transactions, 2001, 3119
7702617 CIFC13 H18 Cl2 Co N3 OP 1 21/a 115.6132; 13.2356; 15.866
90; 95.909; 90
3261.3Yamamoto, Youhei; Suzuki, Takayoshi; Kaizaki, Sumio
Syntheses, structures, magnetic, and spectroscopic properties of cobalt(ii), nickel(ii) and zinc(ii) complexes containing 2-(6-methyl)pyridyl-substituted nitronyl and imino nitroxide†
Journal of the Chemical Society, Dalton Transactions, 2001, 2943

Blue left arrow Blue left arrow First | Blue left arrow Previous 50 | of 64 | Next 50 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

Back to the search form
Your own data is not in the COD? Deposit it, thanks!