Crystallography Open Database

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7224503 CIFC24 H22 Cl2 N18 O Zn2P 1 n 110.467; 13.587; 11.9
90; 112.036; 90
1568.7Xiao, Yu; Wang, Shuai-Hua; Zhao, Ya-Ping; Zheng, Fa-Kun; Guo, Guo-Cong
Fluorescence and photochromic properties of a series of new Zn(ii)/Cd(ii) coordination compounds with a flexible semi-rigid tetrazole‒viologen derivative
CrystEngComm, 2016, 18, 2524
7224548 CIFC18 H12 N6 O4 ZnP 1 n 114.6252; 16.5703; 10.4179
90; 90; 90
2524.7Chen, Di-Ming; Tian, Jia-Yue; Fang, Shao-Ming; Liu, Chun-Sen
Two isomeric Zn(ii)-based metal‒organic frameworks constructed from a bifunctional triazolate‒carboxylate tecton exhibiting distinct gas sorption behaviors
CrystEngComm, 2016, 18, 2579
7225597 CIFC13 H9 F2 N OP 1 n 15.5268; 4.9905; 19.7058
90; 90.665; 90
543.48Mocilac, P.; Osman, I. A.; Gallagher, J. F.
Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid
CrystEngComm, 2016, 18, 5764
7225606 CIFC13 H9 F2 N OP 1 n 15.1095; 9.4583; 22.2306
90; 96.284; 90
1067.89Mocilac, P.; Osman, I. A.; Gallagher, J. F.
Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid
CrystEngComm, 2016, 18, 5764
7226204 CIFC3 H10 N9 Na O5P 1 n 111.797; 3.548; 13.404
90; 106.25; 90
538.6Guo, Weiming; Zhang, Tonglai; Zhang, Bo; Feng, Yongan; Chen, Sitong; Mi, Zhenhao
Studies on sodium polymers based on Di(1H-tetrazol-5-yl) methanone oxime
RSC Adv., 2016
7226213 CIFC24 H20 N4 O2P 1 n 111.285; 14.466; 13.528
90; 112.2; 90
2044.7Guo, Hongchao; Zhou, Leijie; Sun, Zhanhu; Yuan, Chunhao
Phosphine-Catalyzed [3+2] Cycloaddition of Phthalazinium Dicyanomethanides with Allenoates: Highly Efficient Synthesis of 1,2,3,10b-Tetrahydropyrrolo[2,1-a]phthalazine Derivatives
RSC Adv., 2016
7226526 CIFC16 H14 Ag4 I5 NP 1 n 112.9435; 4.5716; 20.997
90; 101.605; 90
1217.05Hao, Pengfei; Qiao, Yanrong; yu, tanlai; shen, junju; Dai, Dongting; fu, yunlong
Spontaneous Chiral Resolution and Hierarchical Directing Effects of Two-winged Propeller-like SDAs on the Construction of Noncentrosymmetric Iodoargentates/Iodocuprates
RSC Adv., 2016
7226710 CIFC10 H22 Al N2 Na O12P 1 n 18.0343; 9.231; 11.9465
90; 90.966; 90
885.88Ptak, Maciej; Mączka, Mirosław; Gągor, Anna; Sieradzki, Adam; Bondzior, Bartosz; Dereń, Przemysław; Pawlus, S.
Phase transitions and chromium(iii) luminescence in perovskite-type [C2H5NH3][Na0.5CrxAl0.5-x(HCOO)3] (x = 0, 0.025, 0.5), correlated with structural, dielectric and phonon properties.
Physical chemistry chemical physics : PCCP, 2016, 18, 29629-29640
7226711 CIFC10 H22 Cr N2 Na O12P 1 n 18.10474; 9.26392; 12.04593
90; 91.1766; 90
904.238Ptak, Maciej; Mączka, Mirosław; Gągor, Anna; Sieradzki, Adam; Bondzior, Bartosz; Dereń, Przemysław; Pawlus, S.
Phase transitions and chromium(iii) luminescence in perovskite-type [C2H5NH3][Na0.5CrxAl0.5-x(HCOO)3] (x = 0, 0.025, 0.5), correlated with structural, dielectric and phonon properties.
Physical chemistry chemical physics : PCCP, 2016, 18, 29629-29640
7227966 CIFC278 H276 Cd9 N25 O62P 1 n 115.8325; 22.884; 36.596
90; 97.523; 90
13145Chen, Dong-Hui; Lin, Ling; Sheng, Tianlu; Wen, Yuehong; Hu, Shengmin; Fu, Ruibiao; Zhuo, Chao; Li, Haoran; Wu, Xintao
Syntheses, structures and luminescence properties of five coordination polymers based on designed 2,7-bis(4-benzoic acid)-N-(4-benzoic acid) carbazole
CrystEngComm, 2017
7228303 CIFC20 H26 Fe N3P 1 n 17.3025; 13.588; 9.39
90; 100.099; 90
917.3Mochida, Tomoyuki; Ishida, Mai; Tominaga, Takumi; Takahashi, Kazuyuki; Sakurai, Takahiro; Ohta, Hitoshi
Paramagnetic ionic plastic crystals containing the octamethylferrocenium cation: counteranion dependence of phase transitions and crystal structures
Phys. Chem. Chem. Phys., 2017
7228324 CIFC62 H120 Cd2 N6 O14 S4 Si4P 1 n 117.9772; 9.026; 27.903
90; 103.161; 90
4408.7Kowalkowska, 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
7229322 CIFC36 H12 F4 N4 S6P 1 n 18.827; 10.6251; 16.8178
90; 94.973; 90
1571.37Qin, Qian; Mague, Joel T.; Moses, Khadija Z.; Carnicom, Elizabeth M.; Cava, Robert J.
Structure and Characterization of Charge Transfer Complexes of Benzo[1,2-b:3,4-b’:5,6-b”]trithiophene [C3h-BTT]
CrystEngComm, 2017
7229387 CIFC54 H45 Ag3 N6 O9P 1 n 113.311; 9.802; 19.394
90; 102.96; 90
2466Chen, Jing-Min; Zhou, Qian-Kun; Hou, Yi-Xuan; Liu, Dong
Single-crystal-to-single-crystal conversions of two metal-mediated photoreactive coordination polymers based on stereoselective [2+2] photocycloaddition reactions
CrystEngComm, 2017
7229388 CIFC54 H45 Ag3 N6 O9P 1 n 113.251; 9.797; 20.209
90; 107.23; 90
2505.8Chen, Jing-Min; Zhou, Qian-Kun; Hou, Yi-Xuan; Liu, Dong
Single-crystal-to-single-crystal conversions of two metal-mediated photoreactive coordination polymers based on stereoselective [2+2] photocycloaddition reactions
CrystEngComm, 2017
7229711 CIFC37.25 H29.5 Cl0.5 F6 N3 S SbP 1 n 118.0621; 21.7543; 18.1682
90; 108.862; 90
6755.4Karimata, Ayumu; Suzuki, Shuichi; Kozaki, Masatoshi; Okada, Keiji
Stereoelectronic control of oxidation potentials of 3,7-bis(diarylamino)phenothiazines
RSC Advances, 2017, 7, 56144
7231317 CIFC13 H29 Br I3 NP 1 n 18.7748; 8.9163; 13.3043
90; 98.065; 90
1030.62Watson, Brandon; Grounds, Olivia; Borley, William; Rosokha, Sergiy V.
Resolving the halogen vs. hydrogen bonding dichotomy in solutions: intermolecular complexes of trihalomethanes with halide and pseudohalide anions.
Physical chemistry chemical physics : PCCP, 2018, 20, 21999-22007
7231318 CIFC13 H29 Cl I3 NP 1 n 18.7174; 8.8068; 13.2169
90; 97.763; 90
1005.39Watson, Brandon; Grounds, Olivia; Borley, William; Rosokha, Sergiy V.
Resolving the halogen vs. hydrogen bonding dichotomy in solutions: intermolecular complexes of trihalomethanes with halide and pseudohalide anions.
Physical chemistry chemical physics : PCCP, 2018, 20, 21999-22007
7231748 CIFC36 H26 Cd N6 O9P 1 n 18.9688; 13.3571; 13.4352
90; 102.071; 90
1573.91Li, Ziyin; Guo, Junzhi; Xiang, Fahui; Lin, Quanjie; Ye, Yingxiang; Zhang, Jindan; Chen, Shimin; Zhang, Zhangjing; Xiang, Shengchang
Photochromic naphthalene diimide Cd-MOFs based on different second dicarboxylic acid ligands
CrystEngComm, 2018, 20, 7567
7231864 CIFAl13 H53 O67 S3P 1 n 114.03; 11.502; 17.598
90; 102.18; 90
2775.9An, Guangyu; Jiang, Yuqian; Xi, Jinyang; Liu, Libing; Wang, Pin; Xiao, Feng; Wang, Dongsheng
Crystallization of aluminum polycation sulfates: transformation of tetrahedral crystals into block crystals in aqueous solutions
CrystEngComm, 2019, 21, 202
7231990 CIFC63 H73 Co3 N7 O19P 1 n 113.1391; 13.3582; 19.7524
90; 106.272; 90
3328Canossa, Stefano; Fornasari, Luca; Demitri, Nicola; Mattarozzi, Monica; Choquesillo-Lazarte, Duane; Pelagatti, Paolo; Bacchi, Alessia
MOF transmetalation beyond cation substitution: defective distortion of IRMOF-9 in the spotlight
CrystEngComm, 2019, 21, 827
7232171 CIFC20 H68 Mn2.5 Mo12 N8 Na2 O71.5 P8P 1 n 114.6598; 13.3538; 22.0021
90; 103.869; 90
4181.6Li, Wei; Zhu, Jian-Nan; Shen, Nan-Nan; Xiong, Wei-Wei; Huang, Xiao-Ying
Assembling [M(P4Mo6)2] (M = Na, Mn, Na/Cu) dimeric clusters via transition metal/sodium ions into 0D to 3D phosphomolybdates
CrystEngComm, 2019, 21, 971
7232195 CIFC7 H7 N O2P 1 n 16.4341; 4.6151; 10.5313
90; 100.73; 90
307.25Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H.
Discovery and recovery of delta p-aminobenzoic acid
CrystEngComm, 2019, 21, 2058
7232196 CIFC7 H7 N O2P 1 n 16.4003; 4.5981; 10.4452
90; 100.748; 90
302Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H.
Discovery and recovery of delta p-aminobenzoic acid
CrystEngComm, 2019, 21, 2058
7232197 CIFC7 H7 N O2P 1 n 16.4342; 4.6146; 10.5397
90; 100.667; 90
307.53Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H.
Discovery and recovery of delta p-aminobenzoic acid
CrystEngComm, 2019, 21, 2058
7232198 CIFC7 H7 N O2P 1 n 16.4551; 4.674; 10.547
90; 100.754; 90
312.63Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H.
Discovery and recovery of delta p-aminobenzoic acid
CrystEngComm, 2019, 21, 2058
7232199 CIFC7 H7 N O2P 1 n 16.5086; 4.6661; 10.7596
90; 100.685; 90
321.1Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H.
Discovery and recovery of delta p-aminobenzoic acid
CrystEngComm, 2019, 21, 2058
7232864 CIFC26 H18 N6 Ni O5P 1 n 111.7121; 6.152; 16.1276
90; 91.235; 90
1161.77Dong, Jun-Liang; Zhu, Peng-Yin; Du, Jia-Qiang; Xie, Fei; Lan, Hai-Ming; Yang, Ru-Xia; Yang, Li-Zheng; Wang, Duo-Zhi
Syntheses, structures, and magnetic properties of mixed-ligand complexes based on 3,6-bis(benzimidazol-1-yl)pyridazine
RSC Advances, 2019, 9, 17560
7233823 CIFC17 H20 N2 O3P 1 n 113.045; 8.447; 13.703
90; 91.593; 90
1509.37Yulia B. Borozdina; Evgeny Mostovich; Volker Enkelmann; Bernd Wolf; Pham T. Cong; Ulrich Tutsch; Michael Lang; Martin Baumgarten
Interacting networks of purely organic spin-1/2 dimers
Journal of Materials Chemistry C, 2014, 2, 6618-6629
7233832 CIFC22 H14 S2P 1 n 15.8953; 7.5358; 35.049
90; 90.563; 90
1557Jangdae Youn; Peng-Yi Huang; Shiming Zhang; Chiao-Wei Liu; Sureshraju Vegiraju; Kumaresan Prabakaran; Charlotte Stern; Choongik Kim; Ming-Chou Chen; Antonio Facchetti; Tobin J. Marks
Functionalized benzothieno[3,2 b]thiophenes (BTTs) for high performance organic thin-film transistors (OTFTs)
Journal of Materials Chemistry C, 2014, 2, 7599-7607
7234139 CIFC28 H22 Br NP 1 n 111.1157; 16.9988; 11.1207
90; 90.112; 90
2101.29Pachaiyappan Rajamalli; Parthasarathy Gandeepan; Min-Jie Huang; Chien-Hong Cheng
Bromo induced reversible distinct color switching of a structurally simple donor-acceptor molecule by vapo, piezo and thermal stimuli
Journal of Materials Chemistry C, 2015, 3, 3329-3335
7235117 CIFCs O15 P5 Pb2P 1 n 18.547; 7.1652; 10.8277
90; 90.898; 90
663Maierhaba Abudoureheman; Shujuan Han; Bing-Hua Lei; Zhihua Yang; Xifa Long; Shilie Pan
KPb2(PO3)5: a novel nonlinear optical lead polyphosphate with a short deep-UV cutoff edge
Journal of Materials Chemistry C, 2016, 4, 10630-10637
7235118 CIFK O15 P5 Pb2P 1 n 18.5207; 7.1635; 10.6027
90; 90.882; 90
647.09Maierhaba Abudoureheman; Shujuan Han; Bing-Hua Lei; Zhihua Yang; Xifa Long; Shilie Pan
KPb2(PO3)5: a novel nonlinear optical lead polyphosphate with a short deep-UV cutoff edge
Journal of Materials Chemistry C, 2016, 4, 10630-10637
7235119 CIFO15 P5 Pb2 RbP 1 n 18.5503; 7.1666; 10.7861
90; 91.03; 90
660.83Maierhaba Abudoureheman; Shujuan Han; Bing-Hua Lei; Zhihua Yang; Xifa Long; Shilie Pan
KPb2(PO3)5: a novel nonlinear optical lead polyphosphate with a short deep-UV cutoff edge
Journal of Materials Chemistry C, 2016, 4, 10630-10637
7235247 CIFC14 H13 N O2P 1 n 111.241; 5.7323; 17.696
90; 97.712; 90
1130Pampana, V. Kishore Kumar; Sagadevan, Arunachalam; Ragupathi, Ayyakkannu; Hwang, Kuo Chu
Visible light-promoted copper catalyzed regioselective acetamidation of terminal alkynes by arylamines
Green Chemistry, 2020, 22, 1164-1170
7235509 CIFC8 H13 N2 O5 PP 1 n 14.475; 13.8149; 8.7194
90; 94.575; 90
537.33Midrier, Camille; Montel, Sonia; Braun, Ralf; Haaf, Klaus; Willms, Lothar; van der Lee, Arie; Volle, Jean-Noël; Pirat, Jean-Luc; Virieux, David
Fosmidomycin analogues with N-hydroxyimidazole and N-hydroxyimidazolone as a chelating unit
RSC Adv., 2014, 4, 23770
7235895 CIFC32 H27 F N2 O2P 1 n 18.5336; 9.2212; 16.6852
90; 102.58; 90
1281.44Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Grigoryan, Tatevik; Villinger, Alexander; Langer, Peter
Synthesis of 4-quinolones, benzopyran derivatives and other fused systems based on the domino ANRORC reactions of (ortho-fluoro)-3-benzoylchromones
RSC Advances, 2015, 5, 28717
7236997 CIFC25 H23 N O5 SP 1 n 111.6942; 7.069; 13.1573
90; 101.21; 90
1066.91Choi, Jae-Young; Lee, Seung-Jun; Lee, Seung-Chul; Jeong, Chan-Uk; Jazbinsek, Mojca; Yun, Hoseop; Kang, Bong Joo; Rotermund, Fabian; Kwon, O-Pil
Quinolinium single crystals with a high optical nonlinearity and unusual out-of-plane polar axis
Journal of Materials Chemistry C, 2017, 5, 12602
7237261 CIFC4 Ag5 N21 O11P 1 n 112.5704; 6.5629; 13.3028
90; 90.303; 90
1097.44Sun, Qi; Li, Xin; Lin, Qiuhan; Lu, Ming
Dancing with 5-substituted monotetrazoles, oxygen-rich ions, and silver: towards primary explosives with positive oxygen balance and excellent energetic performance
Journal of Materials Chemistry A, 2019, 7, 4611
7237837 CIFC10 H22 Cr N2 Na O12P 1 n 18.1137; 9.2703; 12.045
90; 91.173; 90
905.8Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław
Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework
Journal of Materials Chemistry C, 2019, 7, 8660
7237838 CIFC10 H22 Cr N2 Na O12P 1 n 18.0675; 9.0842; 11.893
90; 91.055; 90
871.5Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław
Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework
Journal of Materials Chemistry C, 2019, 7, 8660
7237839 CIFC10 H22 Cr N2 Na O12P 1 n 18.0271; 8.8885; 11.722
90; 90.906; 90
836.2Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław
Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework
Journal of Materials Chemistry C, 2019, 7, 8660
7237841 CIFC10 H22 Cr N2 Na O12P 1 n 18.06; 9.0392; 11.852
90; 91.018; 90
863.4Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław
Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework
Journal of Materials Chemistry C, 2019, 7, 8660
7237842 CIFC10 H22 Cr N2 Na O12P 1 n 18.01346; 8.80029; 11.657
90; 90.821; 90
821.98Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław
Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework
Journal of Materials Chemistry C, 2019, 7, 8660
7237843 CIFC10 H22 Cr N2 Na O12P 1 n 18.00341; 8.7348; 11.602
90; 90.718; 90
811.01Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław
Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework
Journal of Materials Chemistry C, 2019, 7, 8660
7237845 CIFC10 H22 Cr N2 Na O12P 1 n 18.082; 9.1463; 11.948
90; 91.101; 90
883Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław
Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework
Journal of Materials Chemistry C, 2019, 7, 8660
7237846 CIFC10 H22 Cr N2 Na O12P 1 n 17.9904; 8.6379; 11.532
90; 90.525; 90
795.9Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław
Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework
Journal of Materials Chemistry C, 2019, 7, 8660
7237847 CIFC10 H22 Cr N2 Na O12P 1 n 18.0417; 8.9635; 11.792
90; 90.974; 90
849.9Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław
Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework
Journal of Materials Chemistry C, 2019, 7, 8660
7237908 CIFC8 H20 Cl5 N2 SbP 1 n 18.5703; 10.9382; 17.7953
90; 90.805; 90
1668.03Ksiądzyna, Martyna; Gągor, Anna; Piecha-Bisiorek, Anna; Ciżman, Agnieszka; Medycki, Wojciech; Jakubas, Ryszard
Exploring a hybrid ferroelectric with a 1-D perovskite-like structure: bis(pyrrolidinium) pentachloroantimonate(iii)
Journal of Materials Chemistry C, 2019, 7, 10360
7239696 CIFC18 H28 N2 O5 SP 1 n 113.3372; 6.7727; 21.8857
90; 101.262; 90
1938.84Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.
Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals
CrystEngComm, 2020, 22, 349-360

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