Crystallography Open Database

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7229250 CIFC7 H17 N3 O14 P4 Zn3P b c n18.1736; 9.9376; 10.3543
90; 90; 90
1870.01Paul, Avijit Kumar; Kanagaraj, Rajendiran; Jana, Ajay; Maji, Pradip
Novel Amine Templated Three-Dimensional Zinc-Organophosphonates with Variable Pore-Openings
CrystEngComm, 2017
7229342 CIFC42 H54 Cl4 N4 Ni2 O18 SrP b c n23.662; 17.8187; 12.4666
90; 90; 90
5256.2Dong, Xiu-Yan; Li, Xiao-Yan; Liu, Ling-Zhi; Zhang, Han; Ding, Yu-Jie; Dong, Wen-Kui
Tri- and hexanuclear heterometallic Ni(ii)‒M(ii) (M = Ca, Sr and Ba) bis(salamo)-type complexes: synthesis, structure and fluorescence properties
RSC Adv., 2017, 7, 48394
7229694 CIFC7 H5 N OP b c n9.126; 10.606; 25.328
90; 90; 90
2451.5Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A
XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.
Physical chemistry chemical physics : PCCP, 2018, 20, 1984-1992
7229695 CIFC7 H5 N OP b c n9.147; 10.64; 25.365
90; 90; 90
2468.6Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A
XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.
Physical chemistry chemical physics : PCCP, 2018, 20, 1984-1992
7229696 CIFC7 H5 N OP b c n9.158; 10.658; 25.383
90; 90; 90
2477.5Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A
XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.
Physical chemistry chemical physics : PCCP, 2018, 20, 1984-1992
7229697 CIFC7 H5 N OP b c n9.116; 10.59; 25.311
90; 90; 90
2443.5Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A
XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.
Physical chemistry chemical physics : PCCP, 2018, 20, 1984-1992
7229698 CIFC7 H5 N OP b c n9.203; 10.737; 25.458
90; 90; 90
2515.6Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A
XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.
Physical chemistry chemical physics : PCCP, 2018, 20, 1984-1992
7229699 CIFC7 H5 N OP b c n9.107; 10.575; 25.296
90; 90; 90
2436.2Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A
XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.
Physical chemistry chemical physics : PCCP, 2018, 20, 1984-1992
7229700 CIFC7 H5 N OP b c n9.136; 10.622; 25.346
90; 90; 90
2459.6Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A
XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.
Physical chemistry chemical physics : PCCP, 2018, 20, 1984-1992
7229701 CIFC7 H5 N OP b c n9.179; 10.697; 25.42
90; 90; 90
2495.9Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A
XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.
Physical chemistry chemical physics : PCCP, 2018, 20, 1984-1992
7229702 CIFC7 H5 N OP b c n9.168; 10.677; 25.402
90; 90; 90
2486.5Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A
XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.
Physical chemistry chemical physics : PCCP, 2018, 20, 1984-1992
7229703 CIFC7 H5 N OP b c n9.191; 10.716; 25.44
90; 90; 90
2505.6Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A
XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.
Physical chemistry chemical physics : PCCP, 2018, 20, 1984-1992
7229997 CIFC14 H15 N5 O4P b c n8.0218; 14.3076; 25.258
90; 90; 90
2898.9Kakkar, Shubhangi; Bhattacharya, Biswajit; Reddy, C. Malla; Ghosh, Soumyajit
Tuning mechanical behaviour by controlling the structure of a series of theophylline co-crystals
CrystEngComm, 2018, 20, 1101
7230092 CIFC35 H41 Mn3 N5 O14P b c n17.0744; 20.5494; 11.4918
90; 90; 90
4032.11Wang, Kai; Tang, Shen; Hu, Zhao-Bo; Zou, Hua-Hong; Wang, Xiao-Lu; Li, Yan; Zhang, Shu-Hua; Chen, Zi-Lu; Liang, Fu-Pei
A family of 3d metal clusters based on N–N single bonds bridged quasi-linear trinuclear cores: the Mn analogue displaying single-molecule magnet behavior
RSC Advances, 2018, 8, 6218
7230153 CIFC16 H12 Cl2 N3 O2P b c n16.311; 13.4662; 14.4537
90; 90; 90
3174.71Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka
Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions
CrystEngComm, 2018, 20, 1862
7230279 CIFC16 H46 Co2 Mo2 N8 O28P b c n10.7699; 22.3609; 15.1262
90; 90; 90
3642.8Cindrić, Marina; Stilinović, Vladimir; Rubčić, Mirta; Medak, Glorija; Šišak Jung, Dubravka; Vrdoljak, Višnja
Supramolecular assembly of oxalatomolybdates controlled by the hydrogen bonding potential of Co(iii)-ammine cations
CrystEngComm, 2018, 20, 1889
7230340 CIFBi2 O9 W2P b c n23.705; 5.4148; 5.4345
90; 90; 90
697.56Tian, Xiangxin; Gao, Zeliang; Chen, Feifei; Wu, Qian; Li, Conggang; Lu, Weiqun; Sun, Youxuan; Tao, Xutang
Insights into the polymorphism of Bi2W2O9: single crystal growth and a complete survey of the variable-temperature thermal and dielectric properties
CrystEngComm, 2018, 20, 2669
7230420 CIFC40 H68 Br2 Cl6 N2P b c n27.3945; 15.206; 11.1953
90; 90; 90
4663.52Kai, Aiting; Sheng, Yujie; Yao, Junyao; Chen, Qibin; Liu, Honglai
Structural variation determined by length-matching effects: towards the formation of flexible porous molecular crystals
CrystEngComm, 2018, 20, 2648
7230421 CIFC25 H41 N O4 SP b c n57.9542; 8.3909; 10.5626
90; 90; 90
5136.5Wang, Ren-Tzong; Lee, Gene-Hsiang; Lai, Chung K.
Effect of counter ions on the mesogenic ionic N-phenylpyridiniums
CrystEngComm, 2018, 20, 2593
7230469 CIFC36 H28 N2P b c n14.7747; 11.8462; 13.9054
90; 90; 90
2433.78Xia, Zeming; Guo, Xiaoyu; Zhu, Yanpeng; Wang, Yonggen; Wang, Jiaobing
A julolidine-fused anthracene derivative: synthesis, photophysical properties, and oxidative dimerization
RSC Advances, 2018, 8, 13588
7230483 CIFC36 H32 N2P b c n38.7879; 8.0972; 8.3462
90; 90; 90
2621.32Wright, Iain A.; Al-Attar, Hameed A; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R.
Conformationally-restricted bicarbazoles with phenylene bridges displaying deep-blue emission and high triplet energies: systematic structure-property relationships.
Physical chemistry chemical physics : PCCP, 2018, 20, 11867-11875
7230749 CIFC15 H15 N3 O5 S3P b c n28.4964; 8.1448; 15.5302
90; 90; 90
3604.5Seaton, Colin C.; Thomas, Rayan R.; Essifaow, Eman A. A.; Nauha, Elisa; Munshi, Tasnim; Scowen, Ian J.
Structural motifs in salts of sulfathiazole: implications for design of salt forms in pharmaceuticals APIs
CrystEngComm, 2018, 20, 3428
7230826 CIFC32 H16 Cl2 Co F8 I4 N4P b c n14.5049; 8.5031; 30.2853
90; 90; 90
3735.3Lisac, Katarina; Cinčić, Dominik
Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif
CrystEngComm, 2018, 20, 5955
7230877 CIFC37 H35 Ag2 Cl3 N4 O4 P2 SP b c n15.6022; 16.5942; 16.3829
90; 90; 90
4241.6Xu, Lin-Yan; Yang, Wei; Liu, Chao-Fan; Ren, Zhi-Gang; Lang, Jian-Ping
Assembly of silver-oxo complexes based on N-diphenylphosphanylmethyl-3-aminopyridine and their structures, photocatalysis and photocurrent responses
CrystEngComm, 2018, 20, 4049
7230880 CIFC20 H17 Ag N3 O4 PP b c n15.3788; 17.2961; 16.4091
90; 90; 90
4364.7Xu, Lin-Yan; Yang, Wei; Liu, Chao-Fan; Ren, Zhi-Gang; Lang, Jian-Ping
Assembly of silver-oxo complexes based on N-diphenylphosphanylmethyl-3-aminopyridine and their structures, photocatalysis and photocurrent responses
CrystEngComm, 2018, 20, 4049
7230981 CIFC60 H54 Co2 N8 O18P b c n26.66; 7.272; 27.642
90; 90; 90
5359Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.
Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study
CrystEngComm, 2018, 20, 4115
7231086 CIFC20 H14 N2P b c n19.954; 9.7592; 7.2875
90; 90; 90
1419.1Ion, Adrian E.; Dogaru, Andreea; Shova, Sergiu; Madalan, Augustin M.; Akintola, Oluseun; Ionescu, Sorana; Voicescu, Mariana; Nica, Simona; Buchholz, Axel; Plass, Winfried; Andruh, Marius
Organic co-crystals of 1,3-bis(4-pyridyl)azulene with a series of hydrogen-bond donors
CrystEngComm, 2018, 20, 4463
7231273 CIFC18 H10 F3 I3 N2 OP b c n24.1738; 9.45562; 17.836
90; 90; 90
4076.92Carletta, Andrea; Zbačnik, Marija; Vitković, Matea; Tumanov, Nikolay; Stilinović, Vladimir; Wouters, Johan; Cinčić, Dominik
Halogen-bonded cocrystals of N-salicylidene Schiff bases and iodoperfluorinated benzenes: hydroxyl oxygen as a halogen bond acceptor
CrystEngComm, 2018, 20, 5332
7231380 CIFC20 H23 Cl N2 O5P b c n29.349; 11.9764; 11.579
90; 90; 90
4070Zhong, Yuan; Hong, Sihua; Cai, Zhengjun; Ma, Shixiong; Jiang, Xianxing
Direct β-selectivity of α,β-unsaturated γ-butyrolactam for asymmetric conjugate additions in an organocatalytic manner
RSC Advances, 2018, 8, 28874
7231631 CIFH4 Na2 O13 Si4 SnP b c n8.7892; 7.4533; 16.4801
90; 90; 90
1079.59Clavier, D.; Hermet, P.; Van der Lee, A.; Haines, J.; Cambon, O.
Prediction of piezoelectric properties by first principles calculations and hydrothermal crystal growth of Si1−xSnxO2 α-quartz phase
CrystEngComm, 2018, 20, 7479
7231756 CIFC9 H18 O2P b c n50.25; 7.055; 5.609
90; 90; 90
1988Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas
Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction
CrystEngComm, 2019, 21, 41
7231759 CIFC13 H26 O2P b c n67.94; 7.1161; 5.5638
90; 90; 90
2689.9Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas
Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction
CrystEngComm, 2019, 21, 41
7231762 CIFC11 H22 O2P b c n58.86; 7.1; 5.574
90; 90; 90
2329.4Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas
Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction
CrystEngComm, 2019, 21, 41
7231765 CIFC26 H25 Co N4 O9P b c n13.7262; 20.841; 18.9308
90; 90; 90
5415.5Luo, Li; Liu, Shou-Qing; Xu, Xiao-Wen; Xu, Jing; Zhao, Jiang-Lin
Four new MOFs based on an imidazole-containing ligand and multicarboxylates: syntheses, structures and sorption properties
CrystEngComm, 2018, 20, 7719
7231842 CIFC39 H43 N5 O24 Pr2P b c n11.978; 14.504; 28.647
90; 90; 90
4977Huang, Hong; Gao, Wei; Zhang, Xiu-Mei; Zhou, Ai-Mei; Liu, Jie-Ping
3D LnIII-MOFs: displaying slow magnetic relaxation and highly sensitive luminescence sensing of alkylamines
CrystEngComm, 2019, 21, 694
7231843 CIFC39 H43 Dy2 N5 O24P b c n12.0109; 14.1322; 28.639
90; 90; 90
4861.2Huang, Hong; Gao, Wei; Zhang, Xiu-Mei; Zhou, Ai-Mei; Liu, Jie-Ping
3D LnIII-MOFs: displaying slow magnetic relaxation and highly sensitive luminescence sensing of alkylamines
CrystEngComm, 2019, 21, 694
7231970 CIFC15 H11 N OP b c n22.672; 14.2171; 6.8368
90; 90; 90
2203.7Ganesan, Balaji; Senadi, Gopal Chandru; Guo, Bing-Chun; Hung, Min-Yuan; Lin, Wei-Yu
A copper(ii)-catalyzed annulative formylation of o-alkynylanilines with DMF: a single-step strategy for 3-formyl indoles
RSC Advances, 2018, 8, 40968
7232028 CIFC12 H17 Fe2 O5 P S2P b c n23.9678; 11.62457; 12.7424
90; 90; 90
3550.23Zhang, Xia; Ma, Xiaoyuan; Zhang, Tianyong; Li, Bin; Jiang, Shuang; Zhang, Guanghui; Hai, Li; Wang, Jingchao; Shao, Xiao
The influence of phosphine ligand substituted [2Fe2S] model complexes as electro-catalyst on proton reduction
RSC Advances, 2018, 8, 42262
7232265 CIFC86 H81 O2 P5 Pt3P b c n22.1168; 17.9826; 17.9976
90; 90; 90
7158Drescher (née Oschmann), Wiebke; Borner, Corinna; Tindall, Daniel J.; Kleeberg, Christian
Exploring unsymmetrical diboranes(4) as boryl ligand precursors: platinum(ii) bis-boryl complexes
RSC Advances, 2019, 9, 3900
7233277 CIFC93 H144 Cl8 O10P b c n21.8547; 22.2502; 20.4982
90; 90; 90
9967.7Al-Azemi, Talal F.; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.
Synthesis, functionalization, and isolation of planar-chiral pillar[5]arenes with bulky substituents using a chiral derivatization agent
RSC Advances, 2019, 9, 23295
7233307 CIFC31 H24 In N O7P b c n17.49; 21.7156; 16.5786
90; 90; 90
6296.65Du, Yujing; Zhong, Li; Hu, Yue; Li, Qipeng; Qian, Jinjie
Doubly interpenetrated indium-tricarboxylate frameworks mediated by small molecules with enhanced porosity
CrystEngComm, 2019, 21, 5045
7233772 CIFC46 H30 O4P b c n33.8575; 12.0256; 8.0009
90; 90; 90
3257.6Jin-Xing Qiu; Ye-Xin Li; Xiao-Feng Yang; Yong Nie; Zhen-Wei Zhang; Zhong-He Chen; Guo-Xin Sun
Substitution degree engineering the crystal packing and optoelectronic properties of benzofuranvinyl-substituted benzene-cored derivatives
Journal of Materials Chemistry C, 2014, 2, 5954-5962
7233859 CIFC29 H29 NP b c n11.371; 14.464; 13.974
90; 90; 90
2298.3Ashley A. Buelt; Naresh C. Osti; Yamin Htet; Catherine A. Conrad; Mina F. Shehata; Ruttayapon Potai; Andrew G. Tennyson; Dvora Perahia; Rhett C. Smith
Conjugated polymers with m-pyridine linkages: synthesis, photophysics, solution structure and film morphology
Journal of Materials Chemistry C, 2014, 2, 8113-8121
7233980 CIFC40 H46 Cd N6 O12P b c n12.467; 16.3496; 21.3494
90; 90; 90
4351.66Balestri, Davide; Scilabra, Patrick; Carraro, Claudia; Delledonne, Andrea; Bacchi, Alessia; Mazzeo, Paolo Pio; Carlucci, Lucia; Pelagatti, Paolo
Structural, thermal and topological characterization of coordination networks containing flexible aminocarboxylate ligands with a central biphenylene scaffold
CrystEngComm, 2019, 21, 6365
7234004 CIFC28 H14 S4P b c n6.0452; 7.701; 43.405
90; 90; 90
2020.7Claude Niebel; Yeongin Kim; Christian Ruzie; Jolanta Karpinska; Basab Chattopadhyay; Guillaume Schweicher; Audrey Richard; Vincent Lemaur; Yoann Olivier; Jerome Cornil; Alan R. Kennedy; Ying Diao; Wen-Ya Lee; Stefan Mannsfeld; Zhenan Bao; Yves H. Geerts
Thienoacene dimers based on the thieno[3,2-b]thiophene moiety: synthesis, characterization and electronic properties
Journal of Materials Chemistry C, 2015, 3, 674-685
7234030 CIFGd K Mo2 O8P b c n5.11465; 18.0858; 8.046
90; 90; 90
744.275Morozov, Vladimir A.; Posokhova, Svetlana M.; Deyneko, Dina V.; Savina, Aleksandra A.; Morozov, Anatolii V.; Tyablikov, Oleg A.; Redkin, Boris S.; Spassky, Dmitry A.; Hadermann, Joke; Lazoryak, Bogdan I.
Influence of annealing conditions on the structure and luminescence properties of KGd1−xEux(MoO4)2 (0 ≤ x ≤ 1)
CrystEngComm, 2019, 21, 6460
7234294 CIFC42 H28 Cl3 N3 O2P b c n23.98; 17.7382; 8.0277
90; 90; 90
3414.7Xiaofei Mei; Guixiu Wen; Jingwei Wang; Huimei Yao; Yan Zhao; Zhenghuan Lin; Qidan Ling
A A-shaped donor-pi-acceptor-pi-donor molecule with AIEE and CIEE activity and sequential logic gate behaviour
Journal of Materials Chemistry C, 2015, 3, 7267-7271
7234338 CIFC52 H72 Fe N18 S2P b c n21.5412; 14.7267; 17.567
90; 90; 90
5572.8Hayley S. Scott; Boujemaa Moubaraki; Nicolas Paradis; Guillaume Chastanet; Jean-Francois Letard; Stuart R. Batten; Keith S. Murray
2,2'-Dipyridylamino-based ligands with substituted alkyl chain groups and their mononuclear-M(ii) spin crossover complexes
Journal of Materials Chemistry C, 2015, 3, 7845-7857
7234339 CIFC52 H72 Fe N18 Se2P b c n21.5709; 14.7251; 17.349
90; 90; 90
5510.6Hayley S. Scott; Boujemaa Moubaraki; Nicolas Paradis; Guillaume Chastanet; Jean-Francois Letard; Stuart R. Batten; Keith S. Murray
2,2'-Dipyridylamino-based ligands with substituted alkyl chain groups and their mononuclear-M(ii) spin crossover complexes
Journal of Materials Chemistry C, 2015, 3, 7845-7857
7234340 CIFC52 H72 Fe N18 Se2P b c n21.4283; 14.7993; 17.6804
90; 90; 90
5606.9Hayley S. Scott; Boujemaa Moubaraki; Nicolas Paradis; Guillaume Chastanet; Jean-Francois Letard; Stuart R. Batten; Keith S. Murray
2,2'-Dipyridylamino-based ligands with substituted alkyl chain groups and their mononuclear-M(ii) spin crossover complexes
Journal of Materials Chemistry C, 2015, 3, 7845-7857

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