Crystallography Open Database

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7242804 CIFC45 H62 Cd N14 O19 P2P 21 21 213.9986; 19.9756; 10.1006
90; 90; 90
2824.44Iqbal, Muhammad Javed; Li, Zhongkui; Khan, Maroof Ahmad; Zhu, Yanhong; Hussain, Wajid; Su, Hao; Qiu, Qi-Ming; Shoukat, Rizwan; Li, Hui
Studies on the structure and chirality of A-motif in adenosine monophosphate nucleotide metal coordination complexes
CrystEngComm, 2021, 23, 4175-4180
7242951 CIFC13 H16 Cl2 N2 O8P 21 21 213.0155; 13.2744; 4.9013
90; 90; 90
846.81Han, Ding-Chong; Li, Yu-Kong; Liu, Yao; Tan, Yu-Hui; Tang, Yun-Zhi; Wei, Wen-Juan; Du, Peng-Kang; Zhang, Hao
Para‒ferroelectric phase transition induces an excellent second harmonic generation response and a prominent switchable dielectric constant change based on a metal-free ionic crystal
CrystEngComm, 2021, 23, 5306-5313
7244114 CIFC17 H23 O7P 21 21 210.5089; 24.083; 6.4952
90; 90; 90
1643.84Makadia, Jay; Madu, Shadrack J.; Arroo, Randolph; Seaton, Colin C.; Li, Mingzhong
Artemisinin–acetylenedicarboxylic acid cocrystal: screening, structure determination, and physicochemical property characterisation
CrystEngComm, 2022, 24, 1056-1067
7244507 CIFC28 H32 Br O2.5P 21 21 216.9823; 19.7469; 7.0709
90; 90; 90
2371.21Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.
Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer
CrystEngComm, 2022, 24, 2089-2099
7244690 CIFC44 H36 F8 N10 O5 S2P 21 21 216.568; 37.54; 7.364
90; 90; 90
4580Prashanth, Jupally; Arikatla, Sivalakshmi Devi; Surov, Artem; Voronin, Alexander P.; Andrei, Churakov; Perlovich, German L.; Balasubramanian, Sridhar
Understanding the thermal stability of apalutamide crystalline solvates through crystal structure analyses and computational studies
CrystEngComm, 2022
7244803 CIFC24 H39 N6 O7 S2P 21 21 239.275; 12.1367; 7.323
90; 90; 90
3490.6Qin, Shu-Qin; Gan, Qian-Ying; Xu, Wei; Jiang, Ren-Wang
Hybrid interaction network of guanidinium-biphenyldisulfonic acid for the structure determination of liquid molecules
CrystEngComm, 2022
7244987 CIFC22.5 H22.5 Fe N7.5 O3.5P 21 21 212.377; 9.4953; 10.2036
90; 90; 90
1199.2Chumakov, Yuri; Danilescu, Olga; Bourosh, P.; Kulikova, Olga V.; Bulhac, Ion; Croitor, Lilia
Metal ions impact on the isostructurality and properties of 2D coordination polymers
CrystEngComm, 2022
7244988 CIFC24 H24 Co N8 O3P 21 21 212.2124; 9.47; 10.267
90; 90; 90
1187.39Chumakov, Yuri; Danilescu, Olga; Bourosh, P.; Kulikova, Olga V.; Bulhac, Ion; Croitor, Lilia
Metal ions impact on the isostructurality and properties of 2D coordination polymers
CrystEngComm, 2022
7245645 CIFC25 H28 F N3 O5P 21 21 226.6114; 15.8766; 5.4278
90; 90; 90
2293.24Wu, Chao; Gao, Lu; Xiong, Jing; Dai, Xia-Lin; Gao, Wei; Lu, Tongbu; Chen, Jia-Mei
Salts of rucaparib with dicarboxylic acids: synthesis, crystal structures and solubility aspects
CrystEngComm, 2022
7245646 CIFC26 H30 F N3 O5P 21 21 227.4657; 15.6448; 5.5604
90; 90; 90
2389.28Wu, Chao; Gao, Lu; Xiong, Jing; Dai, Xia-Lin; Gao, Wei; Lu, Tongbu; Chen, Jia-Mei
Salts of rucaparib with dicarboxylic acids: synthesis, crystal structures and solubility aspects
CrystEngComm, 2022
7246831 CIFC22 H16 Br N SP 21 21 222.70389; 13.29859; 5.82409
90; 90; 90
1758.47Guo, Yanmin; Chang, Rong; Fu, Zhen; Zhou, Cong-Ying; Guo, Zhen
Heterogeneous visible-light promoted dehydrogenative [4 + 2] annulation of benzothioamides and alkynes under aerobic conditions
Green Chemistry, 2023, 25, 5206-5212
7246942 CIFC46 H106 Mn Mo7.5 N4 O44 S14P 21 21 233.5555; 30.4959; 9.33799
90; 90; 90
9555.61Dai, Guoyong; Li, Qi; Zang, Dejin; Wei, Yongge
A bifunctional molecular catalyst built up of l-proline grafted polyoxometalate for one-pot three-component green synthesis of heterocycles
Green Chemistry, 2023, 25, 6263-6269
7247123 CIFC20 H41.5 K N10 O26.25 P4P 21 21 226.352; 10.99; 6.7232
90; 90; 90
1947.1Kaszubowski, Oskar; Ślepokura, Katarzyna
Structural aspects of dehydration and rehydration in the adenosine 5′-diphosphate (ADP)–potassium–water system
CrystEngComm, 2023, 25, 4592-4603
7247126 CIFC10 H18 K N5 O12 P2P 21 21 228.31; 10.412; 6.2855
90; 90; 90
1852.7Kaszubowski, Oskar; Ślepokura, Katarzyna
Structural aspects of dehydration and rehydration in the adenosine 5′-diphosphate (ADP)–potassium–water system
CrystEngComm, 2023, 25, 4592-4603
7247362 CIFC39 H39 Cd3 N3 O15P 21 21 29.5668; 23.3692; 17.0992
90; 90; 90
3822.84Windsor, Hunter J.; Kepert, Cameron J.; Macreadie, Lauren K.
Spontaneous resolution of two chiral metal–organic frameworks through local geometric and lattice frustration effects
CrystEngComm, 2023, 25, 5428-5435
7247573 CIFC76 H81 I N4 O10 Si2P 21 21 213.3936; 27.474; 9.584
90; 90; 90
3526.68Zhou, Hai-Jie; Yao, Yi-Ping; Zhang, Tonghui; Chen, Biao; Wang, Xu; Zhao, Hang; Zeng, Jie; Chen, Jian-Ai; Xiao, Xiao; Chen, Fen-Er
New conformationally flexible and recyclable aryl iodine catalysts from an inexpensive chiral source for asymmetric oxidations
Green Chemistry, 2023, 25, 10447-10457
7247574 CIFC56 H61 I N4 O8 Si2P 21 21 228.216; 13.252; 14.528
90; 90; 90
5432Zhou, Hai-Jie; Yao, Yi-Ping; Zhang, Tonghui; Chen, Biao; Wang, Xu; Zhao, Hang; Zeng, Jie; Chen, Jian-Ai; Xiao, Xiao; Chen, Fen-Er
New conformationally flexible and recyclable aryl iodine catalysts from an inexpensive chiral source for asymmetric oxidations
Green Chemistry, 2023, 25, 10447-10457
7248075 CIFC102 H76 O16 P2 U2P 21 21 223.3097; 13.3655; 13.5379
90; 90; 90
4217.68Lee, Young Hoon; Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre
Uranyl ion coordination polymers with the dibenzobarrelene-based rac- and (R,R)-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate ligands
CrystEngComm, 2024, 26, 1278-1291
7248076 CIFC80 H80 N4 O26 U4P 21 21 217.5195; 26.5815; 8.8808
90; 90; 90
4135.7Lee, Young Hoon; Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre
Uranyl ion coordination polymers with the dibenzobarrelene-based rac- and (R,R)-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate ligands
CrystEngComm, 2024, 26, 1278-1291
7248332 CIFC24 H28 Cl N3 O6 SP 21 21 214.6984; 17.427; 19.6342
90; 90; 90
5029.3Parmar, Mehul P.; Vala, Disha P.; Bhalodiya, Savan S.; Upadhyay, Dipti B.; Patel, Chirag D.; Patel, Subham G.; Gandholi, Srinivasa R.; Shaik, Althaf H.; Miller, Amy Dunne; Nogales, Joaquina; Banerjee, Sourav; Padrón, José M; Amri, Nasser; Kandukuri, Nagesh Kumar; Patel, Hitendra M.
A green bio-organic catalyst (taurine) promoted one-pot synthesis of (<i>R</i>/<i>S</i>)-2-thioxo-3,4-dihydropyrimidine(TDHPM)-5-carboxanilides: chiral investigations using circular dichroism and validation by computational approaches.
RSC advances, 2024, 14, 9300-9313
7248532 CIFC26 H33 N O8P 21 21 218.4944; 23.2557; 5.4935
90; 90; 90
2362.76Tian, Fanyu; Xia, Mengyuan; Wang, Hao; Zhang, Bingrui; Ding, Zhenfeng; Rong, Xiaoyi; Zhu, Bingqing; Mei, Xuefeng
New solid forms of tetrahydrocurcumin with improved solubility
CrystEngComm, 2024, 26, 3232-3239
7248534 CIFC26 H33 N O8P 21 21 218.37; 23.19; 5.466
90; 90; 90
2328.5Tian, Fanyu; Xia, Mengyuan; Wang, Hao; Zhang, Bingrui; Ding, Zhenfeng; Rong, Xiaoyi; Zhu, Bingqing; Mei, Xuefeng
New solid forms of tetrahydrocurcumin with improved solubility
CrystEngComm, 2024, 26, 3232-3239
7249056 CIFC15 H20 Br9 N2 SbP 21 21 210.7933; 15.7086; 7.8096
90; 90; 90
1324.1Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Adonin, Sergey A.
Crystalline products of bromoantimonate(iii) oxidation by Br2 in the presence of different cations: diversity of structural types and patterns of halogen bond systems
CrystEngComm, 2024, 26, 4518-4524
7249853 CIFC9 H17 N3 O9.5 PP 21 21 28.4629; 35.212; 4.8658
90; 90; 90
1450Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub
Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates
CrystEngComm, 2025, 27, 1174-1184
7249987 CIFC20 H20 Br2 N2 O2P 21 21 25.9191; 19.067; 9.0123
90; 90; 90
1017.12Shen, Xin; Qi, Jun-Chao; Peng, Hang; Xia, Zhang-Tian; Bai, Yong-Ju; Chen, Hui-Ping; Wang, Zhen-Yu; Yang, Tian-En; Qin, Yan; Liao, Wei-Qiang
A photoluminescent second-order nonlinear optical molecular crystal with cold crystallization
CrystEngComm, 2025, 27, 1381-1385
7249988 CIFC20 H20 Br2 N2 O2P 21 21 25.9248; 19.0854; 9.0135
90; 90; 90
1019.22Shen, Xin; Qi, Jun-Chao; Peng, Hang; Xia, Zhang-Tian; Bai, Yong-Ju; Chen, Hui-Ping; Wang, Zhen-Yu; Yang, Tian-En; Qin, Yan; Liao, Wei-Qiang
A photoluminescent second-order nonlinear optical molecular crystal with cold crystallization
CrystEngComm, 2025, 27, 1381-1385
7249989 CIFC20 H20 Br2 N2 O2P 21 21 25.9364; 19.0616; 9.0086
90; 90; 90
1019.39Shen, Xin; Qi, Jun-Chao; Peng, Hang; Xia, Zhang-Tian; Bai, Yong-Ju; Chen, Hui-Ping; Wang, Zhen-Yu; Yang, Tian-En; Qin, Yan; Liao, Wei-Qiang
A photoluminescent second-order nonlinear optical molecular crystal with cold crystallization
CrystEngComm, 2025, 27, 1381-1385
7251235 CIFC112 H128 N24 O24P 21 21 218.791; 16.407; 8.6453
90; 90; 90
2665.4Dosanjh, Ramandeep; Patterson, Adam; Harris, Joe; Wilson, Claire; Gutmann, Matthias J.; Collier, Paul; Hyde, Tim; Johnson, Timothy; York, Andy; Parker, Stewart F.; Lennon, David
Spectroscopic investigations of a pharmaceutical solid form analogue: pyrimethanil L-tartrate hemi-cocrystal
Physical Chemistry Chemical Physics, 2025
7251236 CIFC28 H32 N6 O6P 21 21 216.6004; 18.6805; 8.7346
90; 90; 90
2708.6Dosanjh, Ramandeep; Patterson, Adam; Harris, Joe; Wilson, Claire; Gutmann, Matthias J.; Collier, Paul; Hyde, Tim; Johnson, Timothy; York, Andy; Parker, Stewart F.; Lennon, David
Spectroscopic investigations of a pharmaceutical solid form analogue: pyrimethanil L-tartrate hemi-cocrystal
Physical Chemistry Chemical Physics, 2025
7700301 CIFC12 H4 Au Cl2 F3 N2P 21 21 235.8917; 38.9207; 13.6252
90; 90; 90
19033.5Conejo-Rodríguez, Verónica; Peñas-Defrutos, Marconi N; Espinet, Pablo
4-Pyridylisocyanide gold(i) and gold(i)-plus-silver(i) luminescent and mechanochromic materials: the silver role.
Dalton transactions (Cambridge, England : 2003), 2019, 48, 10412-10416
7700375 CIFC4 H15 Ge Mn N3 S4P 21 21 28.2096; 12.2884; 6.2601
90; 90; 90
631.54Luo, Hai-Ying; Zhou, Jian; Cao, Shumei
A series of new hybrid chalcogenogermanates: the rare examples of chalcogenogermanates combined with trivalent vanadium complexes.
Dalton transactions (Cambridge, England : 2003), 2019, 48, 10907-10914
7700585 CIFC30 H32 Cl Mn N4 O6P 21 21 27.49091; 12.7773; 14.7289
90; 90; 90
1409.76Barker, Andrew; Kelly, Conor T.; Kühne, Irina A; Hill, Stephen; Krzystek, J.; Wix, Paul; Esien, Kane; Felton, Solveig; Müller-Bunz, Helge; Morgan, Grace G.
Spin state solvomorphism in a series of rare S = 1 manganese(iii) complexes.
Dalton transactions (Cambridge, England : 2003), 2019, 48, 15560-15566
7701208 CIFC17 H41 Fe N3 Si4P 21 21 211.0457; 34.23; 10.687
90; 90; 90
4040.7Bodenstein, Tilmann; Eichhöfer, Andreas
Magnetic anisotropy in trigonal planar Fe(ii) bis(trimethylsilyl)amido complexes of the type [Fe{N(SiMe<sub>3</sub>)<sub>2</sub>}<sub>2</sub>L]-experiment and theory.
Dalton transactions (Cambridge, England : 2003), 2019, 48, 15699-15712
7701513 CIFC77 H109 N8 Ni8 O30P 21 21 211.9664; 13.8139; 14.2301
90; 90; 90
2352.3Mayans, Julia; Athanasopoulou, Angeliki A.; Pham, Amy Trinh; Font-Bardia, Mercè; Mazarakioti, Eleni C.; Pilkington, Melanie; Stamatatos, Theocharis C.; Escuer, Albert
{Ni<sub>4</sub>} Cubanes from enantiomerically pure 2-(1-hydroxyethyl)pyridine ligands: supramolecular chirality.
Dalton transactions (Cambridge, England : 2003), 2019, 48, 10427-10434
7702076 CIFC12 H32 Cl4 Nb P4P 21 21 210.7216; 11.2891; 9.4711
90; 90; 90
1146.36Benjamin, Sophie L.; Chang, Yao-Pang; Hector, Andrew L.; Jura, Marek; Levason, William; Reid, Gillian; Stenning, Gavin
Niobium tetrahalide complexes with neutral diphosphine ligands.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 8192-8200
7702181 CIFC48 H52 Mn2 N4 OP 21 21 214.7987; 16.8841; 8.5878
90; 90; 90
2145.8Cannella, Anthony F.; Dey, Suman Kr; MacMillan, Samantha N.; Lacy, David C.
Structural diversity in pyridine and polypyridine adducts of ring slipped manganocene: correlating ligand steric bulk with quantified deviation from ideal hapticity.
Dalton transactions (Cambridge, England : 2003), 2018, 47, 5171-5180
7702194 CIFC70 H40 Cl2 In3 O20P 21 21 229.6876; 33.7481; 9.4487
90; 90; 90
9466.7Li, Yuan-Han; Wang, Sue-Lein; Su, Yu-Chia; Ko, Bao-Tsan; Tsai, Chen-Yen; Lin, Chia-Her
Microporous 2D indium metal-organic frameworks for selective CO<sub>2</sub> capture and their application in the catalytic CO<sub>2</sub>-cycloaddition of epoxides.
Dalton transactions (Cambridge, England : 2003), 2018, 47, 9474-9481
7702984 CIFC56 H57 Al N4 P2P 21 21 218.173; 14.6537; 9.8443
90; 90; 90
2621.55Goswami, Bhupendra; Yadav, Ravi; Schoo, Christoph; Roesky, Peter W.
Neutral and cationic enantiopure group 13 iminophosphonamide complexes.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 675-681
7702985 CIFC58 H61 Cl Ga N4 O0.5 P2P 21 21 218.4844; 14.5247; 10.2958
90; 90; 90
2764.2Goswami, Bhupendra; Yadav, Ravi; Schoo, Christoph; Roesky, Peter W.
Neutral and cationic enantiopure group 13 iminophosphonamide complexes.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 675-681
7702986 CIFC58 H61 Al Cl N4 O P2P 21 21 218.3994; 14.4577; 10.2758
90; 90; 90
2733.5Goswami, Bhupendra; Yadav, Ravi; Schoo, Christoph; Roesky, Peter W.
Neutral and cationic enantiopure group 13 iminophosphonamide complexes.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 675-681
7703619 CIFC43 H46 Fe O7 P2 Ru3 SP 21 21 215.06019; 18.1823; 15.73196
90; 90; 90
4307.87Abdel-Magied, Ahmed F; Theibich, Yusuf; Singh, Amrendra K.; Rahaman, Ahibur; Doverbratt, Isa; Raha, Arun K.; Haukka, Matti; Richmond, Michael G.; Nordlander, Ebbe
Asymmetric hydrogenation of an α-unsaturated carboxylic acid catalyzed by intact chiral transition metal carbonyl clusters - diastereomeric control of enantioselectivity.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 4244-4256
7703642 CIFC30 H32 Cl Mn N4 O6P 21 21 27.502; 12.789; 14.764
90; 90; 90
1416.5Zhao, Sheng-Ze; Qin, Chun-Yan; Wang, Shi; Yamashita, Masahiro; Li, Yong-Hua; Huang, Wei
Structure-function correlations in mononuclear manganese(iii) spin crossover systems with a big conjugated hexadentate Schiff-base ligand.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 4293-4305
7703646 CIFC30 H32 Cl Mn N4 O6P 21 21 27.641; 12.994; 14.716
90; 90; 90
1461.1Zhao, Sheng-Ze; Qin, Chun-Yan; Wang, Shi; Yamashita, Masahiro; Li, Yong-Hua; Huang, Wei
Structure-function correlations in mononuclear manganese(iii) spin crossover systems with a big conjugated hexadentate Schiff-base ligand.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 4293-4305
7704483 CIFC21 H18 N6 OP 21 21 214.781; 19.903; 6.1151
90; 90; 90
1799Hegarty, Isabel N.; Dalton, Hannah L.; Lynes, Amy D.; Haffner, Benjamin; Möbius, Matthias E; Hawes, Chris S.; Gunnlaugsson, Thorfinnur
Balancing connectivity with function in silver(i) networks of pyridyltriazole (tzpa) ligands results in the formation of a metallogel.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 7364-7372
7704803 CIFC22.5 H27 Co2 O12 S2.5P 21 21 217.6173; 12.7245; 12.3363
90; 90; 90
2765.44Wang, Lin; Zhang, Jian-Wei; Li, Chenchen; Sun, Jia-Lu; Wang, Guo-Ming; Chen, Yu-Zhen
Novel CoNi-metal-organic framework crystal-derived CoNi@C: synthesis and effective cascade catalysis.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 10567-10573
7704875 CIFC28 H33 Cu F18 N7 O9 S2P 21 21 238.4703; 32.873; 11.9611
90; 90; 90
15126.4Kadakia, Rahul T.; Xie, Da; Guo, Hongyu; Bouley, Bailey; Yu, Meng; Que, Emily L.
Responsive fluorinated nanoemulsions for <sup>19</sup>F magnetic resonance detection of cellular hypoxia.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 16419-16424
7705875 CIFC6 H16 Br4 N2 PbP 21 21 211.8; 11.7153; 9.952
90; 90; 90
1375.77Yu, Shan-Shan; Zhao, Hai-Rong; Zhang, Hui; Duan, Hai-Bao
Two chiral haloplumbate hybrids with thermochromism luminescence and application potential as luminescent thermometers.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 16643-16648
7706257 CIFC21 H22 N2 O6P 21 21 29.7978; 12.4501; 7.9839
90; 90; 90
973.9Knippen, Katharina; Bredenkötter, Björn; Kanschat, Lisa; Kraft, Maryana; Vermeyen, Tom; Herrebout, Wouter; Sugimoto, Kunihisa; Bultinck, Patrick; Volkmer, Dirk
CFA-18: a homochiral metal-organic framework (MOF) constructed from rigid enantiopure bistriazolate linker molecules.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 15758-15768
7706442 CIFC21 H37 Cl2 Ga OP 21 21 215.744; 24.553; 11.926
90; 90; 90
4610.1Ding, Yi; Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar; Yang, Zhi; Roesky, Herbert W.
Pentamethyl- and 1,2,4-tri(tert-butyl)cyclopentadienyl containing p-block complexes - differences and similarities.
Dalton transactions (Cambridge, England : 2003), 2021, 50, 2067-2074
7706545 CIFC46 H66 Ca N2 O4P 21 21 221.5853; 19.8516; 11.09
90; 90; 90
4752.1Stegner, Philipp C.; Eyselein, Jonathan; Ballmann, Gerd M.; Langer, Jens; Schmidt, Jochen; Harder, Sjoerd
Calcium catalyzed enantioselective intramolecular alkene hydroamination with chiral <i>C</i><sub>2</sub>-symmetric bis-amide ligands.
Dalton transactions (Cambridge, England : 2003), 2021, 50, 3178-3185

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