Crystallography Open Database

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Searching journal of publication like 'CrystEngComm' volume of publication is 23

COD ID: 1565076
CIF file Formula: - C49 H66 B4 O13 -
Comments: Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton CrystEngComm 23(46) (2021) 8169-8182
Space group: P 4/n :2
Cell volume: 2423.15
Cell parameters: 18.5171; 18.5171; 7.067; 90; 90; 90;  

COD ID: 1565077
CIF file Formula: - C44 H60 B4 O13 S5 -
Comments: Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton CrystEngComm 23(46) (2021) 8169-8182
Space group: P 4/n :2
Cell volume: 2502.7
Cell parameters: 18.8442; 18.8442; 7.0478; 90; 90; 90;  

COD ID: 1565078
CIF file Formula: - C38 H48 B4 O10 -
Comments: Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton CrystEngComm 23(46) (2021) 8169-8182
Space group: P -4
Cell volume: 903.62
Cell parameters: 11.2591; 11.2591; 7.1282; 90; 90; 90;  

COD ID: 1565079
CIF file Formula: - C42 H54 B4 O13 -
Comments: Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton CrystEngComm 23(46) (2021) 8169-8182
Space group: I 41/a :2
Cell volume: 7965.2
Cell parameters: 17.4201; 17.4201; 26.248; 90; 90; 90;  

COD ID: 1565080
CIF file Formula: - C43 H61.5 B4 N0.5 O12 S4 -
Comments: Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton CrystEngComm 23(46) (2021) 8169-8182
Space group: P 4/n :2
Cell volume: 2474.25
Cell parameters: 18.7776; 18.7776; 7.0172; 90; 90; 90;  

COD ID: 1565081
CIF file Formula: - C19.5 H24 B2 N O4.5 -
Comments: Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton CrystEngComm 23(46) (2021) 8169-8182
Space group: P 4/n :2
Cell volume: 1860.8
Cell parameters: 16.1648; 16.1648; 7.1212; 90; 90; 90;  

COD ID: 1565082
CIF file Formula: - C46 H63 B4 N4 O12 -
Comments: Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton CrystEngComm 23(46) (2021) 8169-8182
Space group: C 1 2/c 1
Cell volume: 4941
Cell parameters: 30.202; 7.1631; 25.857; 90; 117.95; 90;  

COD ID: 7241419
CIF file Formula: - C76 H42 N8 O17 Zn2 -
Comments: Zhang, Le-Tian; Xia, Bin; Zhang, Xia; Lu, Sha; Zhou, Xian-Xian; Li, Quan-Wen; Wang, Qing-Lun Photochromism and photoresponsive luminescence in naphthalenediimide coordination polymers with high thermostability CrystEngComm 23(1) (2021) 140-145
Space group: P -1
Cell volume: 3077.58
Cell parameters: 14.167; 14.5777; 17.038; 89.14; 79.848; 62.998;  

COD ID: 7241420
CIF file Formula: - C38 H22 Cd N4 O9 -
Comments: Zhang, Le-Tian; Xia, Bin; Zhang, Xia; Lu, Sha; Zhou, Xian-Xian; Li, Quan-Wen; Wang, Qing-Lun Photochromism and photoresponsive luminescence in naphthalenediimide coordination polymers with high thermostability CrystEngComm 23(1) (2021) 140-145
Space group: P b c a
Cell volume: 6057.66
Cell parameters: 18.6379; 11.3482; 28.6405; 90; 90; 90;  

COD ID: 7241434
CIF file Formula: - C38 H31 Ag4 N18 O4.5 -
Comments: Xue, Zhen-Zhen; Li, Xin-Yu; Xu, Lei; Han, Song-De; Pan, Jie; Wang, Guo-Ming Novel silver(i) cluster-based coordination polymers as efficient luminescent thermometers CrystEngComm 23(1) (2021) 56-63
Space group: I b c a
Cell volume: 16698.6
Cell parameters: 21.8025; 26.2621; 29.1639; 90; 90; 90;  

COD ID: 7241435
CIF file Formula: - C19 H11 Ag3 I N9 -
Comments: Xue, Zhen-Zhen; Li, Xin-Yu; Xu, Lei; Han, Song-De; Pan, Jie; Wang, Guo-Ming Novel silver(i) cluster-based coordination polymers as efficient luminescent thermometers CrystEngComm 23(1) (2021) 56-63
Space group: P 1 21/c 1
Cell volume: 1996.8
Cell parameters: 14.8663; 7.3955; 20.839; 90; 119.363; 90;  

COD ID: 7241447
CIF file Formula: - C33 H31 Cd N5 O5 -
Comments: Wu, Lin-Hui; Yao, Shu-Li; Li, Jing; Xu, Hui; Zheng, Teng-Fei; Liu, Sui-Jun; Chen, Jing-Lin; Wen, He-Rui A novel CdII-based metal‒organic framework as a multi-responsive luminescent sensor for Fe3+, MnO4−, Cr2O72−, salicylaldehyde and ethylenediamine detection with high selectivity and sensitivity CrystEngComm 23(2) (2021) 482-491
Space group: P 1 21/c 1
Cell volume: 3068.2
Cell parameters: 10.1575; 30.064; 13.2675; 90; 130.775; 90;  

COD ID: 7241448
CIF file Formula: - C19 H13 N5 -
Comments: Wu, Lin-Hui; Yao, Shu-Li; Li, Jing; Xu, Hui; Zheng, Teng-Fei; Liu, Sui-Jun; Chen, Jing-Lin; Wen, He-Rui A novel CdII-based metal‒organic framework as a multi-responsive luminescent sensor for Fe3+, MnO4−, Cr2O72−, salicylaldehyde and ethylenediamine detection with high selectivity and sensitivity CrystEngComm 23(2) (2021) 482-491
Space group: C 1 2/c 1
Cell volume: 1435.97
Cell parameters: 14.6265; 12.7279; 7.7874; 90; 97.902; 90;  

COD ID: 7241453
CIF file Formula: - C3.61 H1.55 O2.06 S0.26 Zn0.39 -
Comments: Tu, Qian-Qian; Ren, Ling-Ling; Cheng, Ai-Ling; Gao, En-Qing Fabrication of a dual-emitting RhB@Zn-1 composite as a recyclable luminescent sensor for sensitive detection of nitrofuran antibiotics CrystEngComm 23(3) (2021) 629-637
Space group: P n m a
Cell volume: 7052.45
Cell parameters: 16.9329; 16.7397; 24.8806; 90; 90; 90;  

COD ID: 7241455
CIF file Formula: - C6 H18 Cl3 N3 -
Comments: Liu, Yu-Hua; Liu, Jun-Chao; Peng, Hang; Huang, Xue-Qin; Liao, Wei-Qiang; Wang, Zhong-Xia A high-Tc organic-ionic phase transition crystal obtained from a trivalent cation CrystEngComm 23(2) (2021) 264-267
Space group: P 1 21/n 1
Cell volume: 2188.86
Cell parameters: 10.9842; 7.9342; 25.1271; 90; 91.717; 90;  

COD ID: 7241456
CIF file Formula: - C6 H18 Cl3 N3 -
Comments: Liu, Yu-Hua; Liu, Jun-Chao; Peng, Hang; Huang, Xue-Qin; Liao, Wei-Qiang; Wang, Zhong-Xia A high-Tc organic-ionic phase transition crystal obtained from a trivalent cation CrystEngComm 23(2) (2021) 264-267
Space group: R -3 m :H
Cell volume: 845.08
Cell parameters: 8.016; 8.016; 15.1863; 90; 90; 120;  

COD ID: 7241457
CIF file Formula: - C16 H17 O14 Tb -
Comments: Wang, Jinzeng; Suffren, Yan; Daiguebonne, Carole; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Guillou, Olivier Lanthanide-based molecular alloys with hydroxyterephthalate: a versatile system CrystEngComm 23(1) (2021) 100-118
Space group: P -1
Cell volume: 921.44
Cell parameters: 9.4609; 10.3877; 11.0504; 115.254; 107.794; 90.967;  

COD ID: 7241458
CIF file Formula: - C24 H32 O25 Sm2 -
Comments: Wang, Jinzeng; Suffren, Yan; Daiguebonne, Carole; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Guillou, Olivier Lanthanide-based molecular alloys with hydroxyterephthalate: a versatile system CrystEngComm 23(1) (2021) 100-118
Space group: P -1
Cell volume: 778.67
Cell parameters: 7.9806; 9.954; 10.8426; 74.62; 74.092; 73.803;  

COD ID: 7241459
CIF file Formula: - C48 H80 Gd4 O58 -
Comments: Wang, Jinzeng; Suffren, Yan; Daiguebonne, Carole; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Guillou, Olivier Lanthanide-based molecular alloys with hydroxyterephthalate: a versatile system CrystEngComm 23(1) (2021) 100-118
Space group: C 1 2/c 1
Cell volume: 3545.8
Cell parameters: 16.982; 10.8156; 20.008; 90; 105.231; 90;  

COD ID: 7241460
CIF file Formula: - C24 H28 O23 Y2 -
Comments: Wang, Jinzeng; Suffren, Yan; Daiguebonne, Carole; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Guillou, Olivier Lanthanide-based molecular alloys with hydroxyterephthalate: a versatile system CrystEngComm 23(1) (2021) 100-118
Space group: P -1
Cell volume: 830.17
Cell parameters: 9.3864; 10.0102; 10.3408; 107.622; 99.379; 110.08;  

COD ID: 7241461
CIF file Formula: - C24 H32 Gd2 O25 -
Comments: Wang, Jinzeng; Suffren, Yan; Daiguebonne, Carole; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Guillou, Olivier Lanthanide-based molecular alloys with hydroxyterephthalate: a versatile system CrystEngComm 23(1) (2021) 100-118
Space group: P 1 21/c 1
Cell volume: 1587.7
Cell parameters: 10.9491; 12.8463; 11.5619; 90; 102.493; 90;  

COD ID: 7241462
CIF file Formula: - C16 H19 O15 Pr -
Comments: Wang, Jinzeng; Suffren, Yan; Daiguebonne, Carole; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Guillou, Olivier Lanthanide-based molecular alloys with hydroxyterephthalate: a versatile system CrystEngComm 23(1) (2021) 100-118
Space group: I a -3
Cell volume: 19491.2
Cell parameters: 26.912; 26.912; 26.912; 90; 90; 90;  

COD ID: 7241465
CIF file Formula: - C19 H22 Cl3 N S2 Sn -
Comments: Tan, Sang Loon; Lee, See Mun; Lo, Kong Mun; Otero-de-la-Roza, A.; Tiekink, Edward R. T. Experimental and computational evidence for a stabilising C‒Cl(lone-pair)⋯π(chelate-ring) interaction CrystEngComm 23(1) (2021) 119-130
Space group: P 1 21/n 1
Cell volume: 2212.42
Cell parameters: 10.12941; 16.43674; 13.38681; 90; 96.9574; 90;  

COD ID: 7241466
CIF file Formula: - C19 H22 Cl3 N S2 Sn -
Comments: Tan, Sang Loon; Lee, See Mun; Lo, Kong Mun; Otero-de-la-Roza, A.; Tiekink, Edward R. T. Experimental and computational evidence for a stabilising C‒Cl(lone-pair)⋯π(chelate-ring) interaction CrystEngComm 23(1) (2021) 119-130
Space group: P 1 21/n 1
Cell volume: 2303.17
Cell parameters: 10.23633; 16.7834; 13.50677; 90; 97.0002; 90;  

COD ID: 7241467
CIF file Formula: - C19 H22 Cl3 N S2 Sn -
Comments: Tan, Sang Loon; Lee, See Mun; Lo, Kong Mun; Otero-de-la-Roza, A.; Tiekink, Edward R. T. Experimental and computational evidence for a stabilising C‒Cl(lone-pair)⋯π(chelate-ring) interaction CrystEngComm 23(1) (2021) 119-130
Space group: P 1 21/n 1
Cell volume: 2251.68
Cell parameters: 10.1802; 16.57028; 13.45064; 90; 97.078; 90;  

COD ID: 7241468
CIF file Formula: - C19 H22 Cl3 N S2 Sn -
Comments: Tan, Sang Loon; Lee, See Mun; Lo, Kong Mun; Otero-de-la-Roza, A.; Tiekink, Edward R. T. Experimental and computational evidence for a stabilising C‒Cl(lone-pair)⋯π(chelate-ring) interaction CrystEngComm 23(1) (2021) 119-130
Space group: P 1 21/n 1
Cell volume: 2230.86
Cell parameters: 10.15307; 16.4993; 13.41809; 90; 97.0345; 90;  

COD ID: 7241469
CIF file Formula: - C19 H22 Cl3 N S2 Sn -
Comments: Tan, Sang Loon; Lee, See Mun; Lo, Kong Mun; Otero-de-la-Roza, A.; Tiekink, Edward R. T. Experimental and computational evidence for a stabilising C‒Cl(lone-pair)⋯π(chelate-ring) interaction CrystEngComm 23(1) (2021) 119-130
Space group: P 1 21/n 1
Cell volume: 2276.5
Cell parameters: 10.20882; 16.6674; 13.48201; 90; 97.0862; 90;  

COD ID: 7241470
CIF file Formula: - C19 H22 Cl3 N S2 Sn -
Comments: Tan, Sang Loon; Lee, See Mun; Lo, Kong Mun; Otero-de-la-Roza, A.; Tiekink, Edward R. T. Experimental and computational evidence for a stabilising C‒Cl(lone-pair)⋯π(chelate-ring) interaction CrystEngComm 23(1) (2021) 119-130
Space group: P 1 21/n 1
Cell volume: 2288.69
Cell parameters: 10.22154; 16.7214; 13.49259; 90; 97.0519; 90;  

COD ID: 7241471
CIF file Formula: - C13 H18 N2 O3 -
Comments: Lago, Ana Belén; Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M. Effect of N-salicylidene hydrazide protonation on the solid state structural diversity of its Cu(ii), Ni(ii) and Zn(ii) complexes CrystEngComm 23(1) (2021) 153-162
Space group: P 1 21/c 1
Cell volume: 1282.54
Cell parameters: 5.3989; 10.1581; 23.3868; 90; 90.508; 90;  

COD ID: 7241472
CIF file Formula: - C28 H41 N5 O10 Zn -
Comments: Lago, Ana Belén; Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M. Effect of N-salicylidene hydrazide protonation on the solid state structural diversity of its Cu(ii), Ni(ii) and Zn(ii) complexes CrystEngComm 23(1) (2021) 153-162
Space group: P -1
Cell volume: 3068.3
Cell parameters: 13.6157; 14.5331; 18.1322; 109.291; 110.987; 95.422;  

COD ID: 7241473
CIF file Formula: - C26 H32 Cu2 F6 N4 O6 Si -
Comments: Lago, Ana Belén; Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M. Effect of N-salicylidene hydrazide protonation on the solid state structural diversity of its Cu(ii), Ni(ii) and Zn(ii) complexes CrystEngComm 23(1) (2021) 153-162
Space group: C 1 2/m 1
Cell volume: 1457.98
Cell parameters: 15.2574; 7.1581; 13.6618; 90; 102.27; 90;  

COD ID: 7241474
CIF file Formula: - C15 H25 N3 Ni O8 -
Comments: Lago, Ana Belén; Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M. Effect of N-salicylidene hydrazide protonation on the solid state structural diversity of its Cu(ii), Ni(ii) and Zn(ii) complexes CrystEngComm 23(1) (2021) 153-162
Space group: P -1
Cell volume: 962.2
Cell parameters: 9.4517; 10.1415; 10.5338; 107.386; 91.631; 92.042;  

COD ID: 7241475
CIF file Formula: - C26 H34 Cu2 N6 O12 -
Comments: Lago, Ana Belén; Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M. Effect of N-salicylidene hydrazide protonation on the solid state structural diversity of its Cu(ii), Ni(ii) and Zn(ii) complexes CrystEngComm 23(1) (2021) 153-162
Space group: P 1 21/c 1
Cell volume: 1521.63
Cell parameters: 11.8828; 7.2916; 17.5807; 90; 92.6591; 90;  

COD ID: 7241476
CIF file Formula: - C32 H30 N4 Ni O9 -
Comments: Lago, Ana Belén; Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M. Effect of N-salicylidene hydrazide protonation on the solid state structural diversity of its Cu(ii), Ni(ii) and Zn(ii) complexes CrystEngComm 23(1) (2021) 153-162
Space group: C 1 2/c 1
Cell volume: 3039
Cell parameters: 22.063; 5.803; 24.656; 90; 105.727; 90;  

COD ID: 7241491
CIF file Formula: - Cu1.94 S4 Sn Zn1.06 -
Comments: Kokh, K. A.; Atuchin, V. V.; Adichtchev, S. V.; Gavrilova, T. A.; Bakhadur, A. M.; Klimov, A. O.; Korolkov, I. V.; Kuratieva, N. V.; Mukherjee, S.; Pervukhina, N. V.; Surovtsev, N. V. Cu2ZnSnS4 crystal growth using an SnCl2 based flux CrystEngComm 23(4) (2021) 1025-1032
Space group: I -4 2 m
Cell volume: 320.76
Cell parameters: 5.4383; 5.4383; 10.8455; 90; 90; 90;  

COD ID: 7241492
CIF file Formula: - C8 H8 N4 O S3 -
Comments: Wzgarda-Raj, Kinga; Palusiak, Marcin; Wojtulewski, Sławomir; Rybarczyk-Pirek, Agnieszka J. The role of sulfur interactions in crystal architecture: experimental and quantum theoretical studies on hydrogen, halogen, and chalcogen bonds in trithiocyanuric acid‒pyridine N-oxide co-crystals CrystEngComm 23(2) (2021) 324-334
Space group: C 1 2/c 1
Cell volume: 2245.65
Cell parameters: 22.0734; 4.4546; 22.931; 90; 95.154; 90;  

COD ID: 7241493
CIF file Formula: - C11 H12 Br N7 O2 S6 -
Comments: Wzgarda-Raj, Kinga; Palusiak, Marcin; Wojtulewski, Sławomir; Rybarczyk-Pirek, Agnieszka J. The role of sulfur interactions in crystal architecture: experimental and quantum theoretical studies on hydrogen, halogen, and chalcogen bonds in trithiocyanuric acid–pyridine N-oxide co-crystals CrystEngComm 23(2) (2021) 324-334
Space group: P -1
Cell volume: 2001.65
Cell parameters: 6.976; 11.2345; 26.3305; 80.082; 85.993; 80.258;  

COD ID: 7241494
CIF file Formula: - C13 H11 N5 O2 S5 -
Comments: Wzgarda-Raj, Kinga; Palusiak, Marcin; Wojtulewski, Sławomir; Rybarczyk-Pirek, Agnieszka J. The role of sulfur interactions in crystal architecture: experimental and quantum theoretical studies on hydrogen, halogen, and chalcogen bonds in trithiocyanuric acid‒pyridine N-oxide co-crystals CrystEngComm 23(2) (2021) 324-334
Space group: P -1
Cell volume: 848.43
Cell parameters: 9.325; 9.4506; 11.092; 108.119; 91.734; 112.132;  

COD ID: 7241495
CIF file Formula: - C13 H11 N7 O6 S3 -
Comments: Wzgarda-Raj, Kinga; Palusiak, Marcin; Wojtulewski, Sławomir; Rybarczyk-Pirek, Agnieszka J. The role of sulfur interactions in crystal architecture: experimental and quantum theoretical studies on hydrogen, halogen, and chalcogen bonds in trithiocyanuric acid‒pyridine N-oxide co-crystals CrystEngComm 23(2) (2021) 324-334
Space group: P 1 21/c 1
Cell volume: 1802.02
Cell parameters: 17.0067; 4.5591; 24.5193; 90; 108.58; 90;  

COD ID: 7241499
CIF file Formula: - C43.5 H34 Cl4 Cu N6 O8.5 -
Comments: Wang, Qi-Bao; Jing, Zi-Yan; Hu, Xiang-Ming; Lu, Wen-Xin; Wang, Peng Synthesis, structure, and heterogeneous Fenton reaction of new Cu(ii)-based discrete Cu2Lx coordination complexes CrystEngComm 23(1) (2021) 216-220
Space group: P -1
Cell volume: 2378.1
Cell parameters: 12.279; 13.059; 16.422; 89.384; 86.725; 64.779;  

COD ID: 7241500
CIF file Formula: - C22 H19 Cu N5 O7 -
Comments: Wang, Qi-Bao; Jing, Zi-Yan; Hu, Xiang-Ming; Lu, Wen-Xin; Wang, Peng Synthesis, structure, and heterogeneous Fenton reaction of new Cu(ii)-based discrete Cu2Lx coordination complexes CrystEngComm 23(1) (2021) 216-220
Space group: P -1
Cell volume: 1176
Cell parameters: 8.184; 12.719; 12.938; 113.72; 105.632; 90.756;  

COD ID: 7241501
CIF file Formula: - C42 H30 Cu N8 O6 -
Comments: Wang, Qi-Bao; Jing, Zi-Yan; Hu, Xiang-Ming; Lu, Wen-Xin; Wang, Peng Synthesis, structure, and heterogeneous Fenton reaction of new Cu(ii)-based discrete Cu2Lx coordination complexes CrystEngComm 23(1) (2021) 216-220
Space group: P 1 21/c 1
Cell volume: 1884.2
Cell parameters: 8.779; 9.042; 23.964; 90; 97.906; 90;  

COD ID: 7241502
CIF file Formula: - C15 H14 Ag F3 N4 O3 S -
Comments: Arhangelskis, Mihails; Van Meervelt, Luc; Dobrzańska, Liliana Influence of ligand composition on crystal structure formation ‒ isostructurality and morphotropism CrystEngComm 23(2) (2021) 317-323
Space group: C 1 c 1
Cell volume: 1854.6
Cell parameters: 13.335; 16.4; 8.497; 90; 93.567; 90;  

COD ID: 7241503
CIF file Formula: - C14 H18 N4 O2 -
Comments: Arhangelskis, Mihails; Van Meervelt, Luc; Dobrzańska, Liliana Influence of ligand composition on crystal structure formation ‒ isostructurality and morphotropism CrystEngComm 23(2) (2021) 317-323
Space group: C 1 2 1
Cell volume: 709.9
Cell parameters: 16.748; 9.455; 4.562; 90; 100.666; 90;  

COD ID: 7241504
CIF file Formula: - C16 H16 Ag F3 N4 O3 S -
Comments: Arhangelskis, Mihails; Van Meervelt, Luc; Dobrzańska, Liliana Influence of ligand composition on crystal structure formation ‒ isostructurality and morphotropism CrystEngComm 23(2) (2021) 317-323
Space group: C 1 c 1
Cell volume: 1909.09
Cell parameters: 13.3761; 16.6393; 8.5931; 90; 93.452; 90;  

COD ID: 7241505
CIF file Formula: - C15 H20 N4 O2 -
Comments: Arhangelskis, Mihails; Van Meervelt, Luc; Dobrzańska, Liliana Influence of ligand composition on crystal structure formation ‒ isostructurality and morphotropism CrystEngComm 23(2) (2021) 317-323
Space group: C 1 2/c 1
Cell volume: 1511.41
Cell parameters: 17.2606; 10.9538; 8.1564; 90; 101.455; 90;  

COD ID: 7241511
CIF file Formula: - C21 H33 Cl2 N5 O8 Pb -
Comments: Esteban-Muriel, Agustín; Laglera-Gándara, Carlos J.; Mato-Iglesias, Marta; Tripier, Raphaël; Beyler, Maryline; de Blas, Andrés; Rodríguez-Blas, Teresa A different approach: highly encapsulating macrocycles being used as organic tectons in the building of CPs CrystEngComm 23(2) (2021) 453-464
Space group: P 1 21/n 1
Cell volume: 2744.64
Cell parameters: 11.2878; 19.5609; 12.4512; 90; 93.307; 90;  

COD ID: 7241512
CIF file Formula: - C21 H39 Br0.74 Cl1.26 N5 O6 -
Comments: Esteban-Muriel, Agustín; Laglera-Gándara, Carlos J.; Mato-Iglesias, Marta; Tripier, Raphaël; Beyler, Maryline; de Blas, Andrés; Rodríguez-Blas, Teresa A different approach: highly encapsulating macrocycles being used as organic tectons in the building of CPs CrystEngComm 23(2) (2021) 453-464
Space group: P 1 21/n 1
Cell volume: 2563.05
Cell parameters: 8.3269; 18.7143; 16.6875; 90; 99.729; 90;  

COD ID: 7241513
CIF file Formula: - C41.75 H35.98 Cl4 N5 O2.75 -
Comments: Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts CrystEngComm 23(1) (2021) 185-201
Space group: C 1 2/c 1
Cell volume: 8013.4
Cell parameters: 16.7209; 17.2504; 27.8319; 90; 93.438; 90;  

COD ID: 7241514
CIF file Formula: - C127 H116 Cl8 N10 O9 -
Comments: Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts CrystEngComm 23(1) (2021) 185-201
Space group: P -1
Cell volume: 2859.7
Cell parameters: 10.7319; 13.6005; 21.5496; 73.502; 77.404; 73.54;  

COD ID: 7241515
CIF file Formula: - C43 H39 Cl4 N5 O3 -
Comments: Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts CrystEngComm 23(1) (2021) 185-201
Space group: P -1
Cell volume: 1979.61
Cell parameters: 12.5325; 13.1139; 13.1773; 82.032; 71.833; 74.538;  

COD ID: 7241516
CIF file Formula: - C55 H44 Cl6 N6 O4 -
Comments: Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts CrystEngComm 23(1) (2021) 185-201
Space group: P -1
Cell volume: 2559.79
Cell parameters: 11.9326; 15.2549; 16.0042; 89.161; 70.57; 69.693;  

COD ID: 7241517
CIF file Formula: - C227 H188 Cl16 N20 O27 -
Comments: Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts CrystEngComm 23(1) (2021) 185-201
Space group: P -1
Cell volume: 5060.5
Cell parameters: 10.4132; 21.2266; 25.0657; 66.238; 89.969; 86.658;  

COD ID: 7241518
CIF file Formula: - C41 H33 Cl4 N5 O2 -
Comments: Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts CrystEngComm 23(1) (2021) 185-201
Space group: P -1
Cell volume: 1876.21
Cell parameters: 12.4461; 13.2751; 13.3667; 84.423; 67.963; 66.662;  

COD ID: 7241519
CIF file Formula: - C43 H40 Cl4 N6 O4 -
Comments: Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts CrystEngComm 23(1) (2021) 185-201
Space group: P -1
Cell volume: 2052.78
Cell parameters: 11.6515; 11.7149; 16.0793; 103.558; 90.461; 105.25;  

COD ID: 7241520
CIF file Formula: - C55 H44 Cl6 N6 O4 -
Comments: Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts CrystEngComm 23(1) (2021) 185-201
Space group: P -1
Cell volume: 2620.06
Cell parameters: 10.8837; 14.4737; 17.7519; 101.568; 105.173; 94.286;  

COD ID: 7241521
CIF file Formula: - C43 H39 Cl4 N5 O3 -
Comments: Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts CrystEngComm 23(1) (2021) 185-201
Space group: P -1
Cell volume: 2057.12
Cell parameters: 12.5818; 13.4486; 13.5318; 80.291; 71.638; 71.71;  

COD ID: 7241522
CIF file Formula: - C127 H116 Cl8 N10 O9 -
Comments: Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts CrystEngComm 23(1) (2021) 185-201
Space group: P -1
Cell volume: 2752.92
Cell parameters: 10.5086; 13.4783; 21.4224; 73.629; 76.913; 73.271;  

COD ID: 7241523
CIF file Formula: - C59 H52 Cl6 N6 O6 -
Comments: Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts CrystEngComm 23(1) (2021) 185-201
Space group: P -1
Cell volume: 2820.07
Cell parameters: 15.0569; 15.3773; 15.4247; 76.043; 61.975; 63.541;  

COD ID: 7241524
CIF file Formula: - C59 H50 Cl6 N8 O4 -
Comments: Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts CrystEngComm 23(1) (2021) 185-201
Space group: P -1
Cell volume: 2839.6
Cell parameters: 15.0694; 15.2735; 15.5991; 74.882; 61.685; 64.227;  

COD ID: 7241525
CIF file Formula: - C14 H36 Br10 N4 O2 Pb3 -
Comments: Jing, Chang-Qing; Li, Jing-Zhao; Xu, Te; Jiang, Kuan; Zhao, Xue-Jie; Wu, Yu-Fang; Xue, Nian-Ting; Jing, Zhi-Hong; Lei, Xiao-Wu Organic cations directed 1D [Pb3Br10]4− chains: syntheses, crystal structures, and photoluminescence properties CrystEngComm 23(2) (2021) 292-298
Space group: P 1 21/c 1
Cell volume: 1835.6
Cell parameters: 11.3186; 15.9262; 11.5922; 90; 118.548; 90;  

COD ID: 7241526
CIF file Formula: - C12 H36 Br10 N4 Pb3 -
Comments: Jing, Chang-Qing; Li, Jing-Zhao; Xu, Te; Jiang, Kuan; Zhao, Xue-Jie; Wu, Yu-Fang; Xue, Nian-Ting; Jing, Zhi-Hong; Lei, Xiao-Wu Organic cations directed 1D [Pb3Br10]4− chains: syntheses, crystal structures, and photoluminescence properties CrystEngComm 23(2) (2021) 292-298
Space group: P 1 21/n 1
Cell volume: 1750.3
Cell parameters: 11.3799; 14.9895; 11.4899; 90; 116.744; 90;  

COD ID: 7241527
CIF file Formula: - C10 H32 Br10 N4 Pb3 -
Comments: Jing, Chang-Qing; Li, Jing-Zhao; Xu, Te; Jiang, Kuan; Zhao, Xue-Jie; Wu, Yu-Fang; Xue, Nian-Ting; Jing, Zhi-Hong; Lei, Xiao-Wu Organic cations directed 1D [Pb3Br10]4− chains: syntheses, crystal structures, and photoluminescence properties CrystEngComm 23(2) (2021) 292-298
Space group: C 1 2/c 1
Cell volume: 3375.2
Cell parameters: 20.368; 8.0895; 22.524; 90; 114.569; 90;  

COD ID: 7241528
CIF file Formula: - C44 H48 B12 Cl12 Cu N4 O4 -
Comments: Wang, Lingyao; Jiang, Tao; Duttwyler, Simon; Zhang, Yuanbin Supramolecular Cu(ii)‒dipyridyl frameworks featuring weakly coordinating dodecaborate dianions for selective gas separation CrystEngComm 23(2) (2021) 282-291
Space group: C 1 2/c 1
Cell volume: 19579
Cell parameters: 43.481; 21.109; 22.589; 90; 109.211; 90;  

COD ID: 7241529
CIF file Formula: - C48 H36 B12 Cl12 Cu2 N6 O4 -
Comments: Wang, Lingyao; Jiang, Tao; Duttwyler, Simon; Zhang, Yuanbin Supramolecular Cu(ii)‒dipyridyl frameworks featuring weakly coordinating dodecaborate dianions for selective gas separation CrystEngComm 23(2) (2021) 282-291
Space group: P -1
Cell volume: 2663
Cell parameters: 13.943; 14.893; 15.01; 94.689; 104.281; 115.487;  

COD ID: 7241530
CIF file Formula: - C68 H60 B24 Cl24 Cu2 N8 O4 -
Comments: Wang, Lingyao; Jiang, Tao; Duttwyler, Simon; Zhang, Yuanbin Supramolecular Cu(ii)‒dipyridyl frameworks featuring weakly coordinating dodecaborate dianions for selective gas separation CrystEngComm 23(2) (2021) 282-291
Space group: P -4 21 c
Cell volume: 44221
Cell parameters: 33.475; 33.475; 39.463; 90; 90; 90;  

COD ID: 7241531
CIF file Formula: - C12 H13 N3 O8 -
Comments: Mannava, M. K. Chaitanya; Gunnam, Anilkumar; Lodagekar, Anurag; Shastri, Nalini R.; Nangia, Ashwini K.; Solomon, K. Anand Enhanced solubility, permeability, and tabletability of nicorandil by salt and cocrystal formation CrystEngComm 23(1) (2021) 227-237
Space group: P c a 21
Cell volume: 1407.3
Cell parameters: 29.813; 4.787; 9.861; 90; 90; 90;  

COD ID: 7241532
CIF file Formula: - C12 H16 N3 O6 -
Comments: Mannava, M. K. Chaitanya; Gunnam, Anilkumar; Lodagekar, Anurag; Shastri, Nalini R.; Nangia, Ashwini K.; Solomon, K. Anand Enhanced solubility, permeability, and tabletability of nicorandil by salt and cocrystal formation CrystEngComm 23(1) (2021) 227-237
Space group: P 1 21/n 1
Cell volume: 1423.8
Cell parameters: 6.835; 23.752; 8.939; 90; 101.16; 90;  

COD ID: 7241533
CIF file Formula: - C64 H92 N4 Nd2 O44 Zn8 -
Comments: Song, Xue-Qin; Xia, Xue-Li; Song, Fu-Qiang; Liu, Guo-Hua; Wang, Li Tuning the coordination behavior of an unexplored asymmetric multidentate ligand for developing diverse heterometallic architectures with luminescent and magnetic properties CrystEngComm 23(4) (2021) 1000-1012
Space group: P 1 21/c 1
Cell volume: 4342.21
Cell parameters: 12.695; 11.9208; 28.7356; 90; 93.129; 90;  

COD ID: 7241534
CIF file Formula: - C66 H84 Er2 N6 O39 Zn8 -
Comments: Song, Xue-Qin; Xia, Xue-Li; Song, Fu-Qiang; Liu, Guo-Hua; Wang, Li Tuning the coordination behavior of an unexplored asymmetric multidentate ligand for developing diverse heterometallic architectures with luminescent and magnetic properties CrystEngComm 23(4) (2021) 1000-1012
Space group: P 1 21/c 1
Cell volume: 4129.6
Cell parameters: 13.0554; 12.0662; 26.2854; 90; 94.196; 90;  

COD ID: 7241535
CIF file Formula: - C54 H70 N10 Ni2 O30 Tb2 -
Comments: Song, Xue-Qin; Xia, Xue-Li; Song, Fu-Qiang; Liu, Guo-Hua; Wang, Li Tuning the coordination behavior of an unexplored asymmetric multidentate ligand for developing diverse heterometallic architectures with luminescent and magnetic properties CrystEngComm 23(4) (2021) 1000-1012
Space group: C 1 2/c 1
Cell volume: 7645.3
Cell parameters: 35.0049; 12.2103; 17.8898; 90; 91.002; 90;  

COD ID: 7241536
CIF file Formula: - C62 H78 Dy2 N4 O40 Zn8 -
Comments: Song, Xue-Qin; Xia, Xue-Li; Song, Fu-Qiang; Liu, Guo-Hua; Wang, Li Tuning the coordination behavior of an unexplored asymmetric multidentate ligand for developing diverse heterometallic architectures with luminescent and magnetic properties CrystEngComm 23(4) (2021) 1000-1012
Space group: P 1 21/c 1
Cell volume: 4319.4
Cell parameters: 12.8027; 11.7339; 28.8; 90; 93.274; 90;  

COD ID: 7241537
CIF file Formula: - C54 H68 N6 Ni3 O27 Tb2 -
Comments: Song, Xue-Qin; Xia, Xue-Li; Song, Fu-Qiang; Liu, Guo-Hua; Wang, Li Tuning the coordination behavior of an unexplored asymmetric multidentate ligand for developing diverse heterometallic architectures with luminescent and magnetic properties CrystEngComm 23(4) (2021) 1000-1012
Space group: P -1
Cell volume: 3491.9
Cell parameters: 11.3623; 15.8821; 20.216; 99.724; 93.835; 102.377;  

COD ID: 7241538
CIF file Formula: - C62 H78 N4 O40 Tb2 Zn8 -
Comments: Song, Xue-Qin; Xia, Xue-Li; Song, Fu-Qiang; Liu, Guo-Hua; Wang, Li Tuning the coordination behavior of an unexplored asymmetric multidentate ligand for developing diverse heterometallic architectures with luminescent and magnetic properties CrystEngComm 23(4) (2021) 1000-1012
Space group: P 1 21/c 1
Cell volume: 4317.4
Cell parameters: 12.6336; 11.8953; 28.764; 90; 92.839; 90;  

COD ID: 7241541
CIF file Formula: - C16 H14 Cu2 I2 N2 S2 -
Comments: Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence CrystEngComm 23(2) (2021) 299-307
Space group: P 1 21/n 1
Cell volume: 1952.6
Cell parameters: 13.353; 10.6593; 13.978; 90; 101.058; 90;  

COD ID: 7241542
CIF file Formula: - C34 H31 Br3 Cu3 N5 S4 -
Comments: Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence CrystEngComm 23(2) (2021) 299-307
Space group: P 1 21 1
Cell volume: 1962.16
Cell parameters: 8.7415; 17.1309; 13.1531; 90; 95.007; 90;  

COD ID: 7241543
CIF file Formula: - C16 H14 Br2 Cu2 N2 S2 -
Comments: Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence CrystEngComm 23(2) (2021) 299-307
Space group: P 1 21/n 1
Cell volume: 1868.1
Cell parameters: 13.306; 10.4481; 13.639; 90; 99.86; 90;  

COD ID: 7241544
CIF file Formula: - C36 H34 Cl3 Cu3 N6 S4 -
Comments: Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence CrystEngComm 23(2) (2021) 299-307
Space group: P 1 21 1
Cell volume: 1984.83
Cell parameters: 8.8353; 16.7129; 13.6256; 90; 99.427; 90;  

COD ID: 7241545
CIF file Formula: - C28 H22 Cu2 I2 N2 S2 -
Comments: Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence CrystEngComm 23(2) (2021) 299-307
Space group: I 1 2/a 1
Cell volume: 6180.8
Cell parameters: 19.2485; 16.5225; 21.3838; 90; 114.655; 90;  

COD ID: 7241546
CIF file Formula: - C22 H23 Cu5 I5 N5 S2 -
Comments: Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence CrystEngComm 23(2) (2021) 299-307
Space group: P 21 21 21
Cell volume: 3536.5
Cell parameters: 10.3178; 15.5879; 21.9885; 90; 90; 90;  

COD ID: 7241547
CIF file Formula: - C28 H22 Br2 Cu2 N2 S2 -
Comments: Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence CrystEngComm 23(2) (2021) 299-307
Space group: P -1
Cell volume: 1319.1
Cell parameters: 10.6426; 11.6334; 12.1551; 108.021; 107.195; 98.463;  

COD ID: 7241548
CIF file Formula: - C34 H31 Cl4 Cu3 N5 S4 -
Comments: Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence CrystEngComm 23(2) (2021) 299-307
Space group: P 1 21 1
Cell volume: 1887.4
Cell parameters: 8.7179; 16.8411; 12.8872; 90; 94.018; 90;  

COD ID: 7241549
CIF file Formula: - C28 H22 N2 S2 -
Comments: Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence CrystEngComm 23(2) (2021) 299-307
Space group: P 1 21/c 1
Cell volume: 2242.01
Cell parameters: 9.372; 14.5073; 16.6745; 90; 98.533; 90;  

COD ID: 7241550
CIF file Formula: - C16 H14 Ag2 I2 N2 S2 -
Comments: Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence CrystEngComm 23(2) (2021) 299-307
Space group: P 1 21/n 1
Cell volume: 2026.9
Cell parameters: 13.3327; 11.2308; 13.8158; 90; 101.542; 90;  

COD ID: 7241556
CIF file Formula: - C26 H23 Cl F4 N4 O7 -
Comments: Jia, Jun-Long; Dai, Xia-Lin; Che, Hao-Jie; Li, Meng-Ting; Zhuang, Xiao-Mei; Lu, Tong-Bu; Chen, Jia-Mei Cocrystals of regorafenib with dicarboxylic acids: synthesis, characterization and property evaluation CrystEngComm 23(3) (2021) 653-662
Space group: P 1 21/c 1
Cell volume: 2630.43
Cell parameters: 23.6243; 7.4222; 15.1901; 90; 99.038; 90;  

COD ID: 7241557
CIF file Formula: - C8 H6 F4 I2 N2 -
Comments: Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T. Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism CrystEngComm 23(2) (2021) 419-426
Space group: P -1
Cell volume: 576.08
Cell parameters: 6.3151; 8.5815; 11.0306; 103.485; 96.047; 93.183;  

COD ID: 7241558
CIF file Formula: - C16 H12 F8 I5 N -
Comments: Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T. Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism CrystEngComm 23(2) (2021) 419-426
Space group: P 1 21/n 1
Cell volume: 2397.1
Cell parameters: 9.9907; 21.4967; 11.4868; 90; 103.673; 90;  

COD ID: 7241559
CIF file Formula: - C16 H12 F8 I5 N -
Comments: Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T. Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism CrystEngComm 23(2) (2021) 419-426
Space group: P 1 21/m 1
Cell volume: 1216.72
Cell parameters: 6.9406; 20.4866; 8.7114; 90; 100.802; 90;  

COD ID: 7241560
CIF file Formula: - C16 H12 F8 I5 N -
Comments: Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T. Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism CrystEngComm 23(2) (2021) 419-426
Space group: P 1 21/n 1
Cell volume: 2410.9
Cell parameters: 10.04; 20.5136; 12.0201; 90; 103.127; 90;  

COD ID: 7241561
CIF file Formula: - C26 H24 F12 I8 N2 -
Comments: Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T. Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism CrystEngComm 23(2) (2021) 419-426
Space group: P 21 21 21
Cell volume: 4071.6
Cell parameters: 11.7588; 14.0711; 24.608; 90; 90; 90;  

COD ID: 7241562
CIF file Formula: - C8 H6 F4 I2 N2 -
Comments: Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T. Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism CrystEngComm 23(2) (2021) 419-426
Space group: P -1
Cell volume: 610.64
Cell parameters: 8.6391; 8.8169; 9.5619; 81.638; 69.762; 63.334;  

COD ID: 7241563
CIF file Formula: - C10 H12 F3 I4 N -
Comments: Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T. Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism CrystEngComm 23(2) (2021) 419-426
Space group: P 1 21/n 1
Cell volume: 1754.46
Cell parameters: 7.334; 21.8848; 11.0627; 90; 98.85; 90;  

COD ID: 7241564
CIF file Formula: - C16 H12 F8 I5 N -
Comments: Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T. Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism CrystEngComm 23(2) (2021) 419-426
Space group: P m m n :2
Cell volume: 1245.01
Cell parameters: 22.6298; 6.9472; 7.9192; 90; 90; 90;  

COD ID: 7241565
CIF file Formula: - C10 H12 F3 I4 N -
Comments: Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T. Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism CrystEngComm 23(2) (2021) 419-426
Space group: P n m a
Cell volume: 1804.2
Cell parameters: 21.6106; 7.3407; 11.3729; 90; 90; 90;  

COD ID: 7241566
CIF file Formula: - C10 H12 F4 I3 N -
Comments: Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T. Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism CrystEngComm 23(2) (2021) 419-426
Space group: P 1 21/n 1
Cell volume: 1566.3
Cell parameters: 7.5414; 22.618; 9.2445; 90; 96.641; 90;  

COD ID: 7241579
CIF file Formula: - C45 H30 N4 -
Comments: Han, Yanning; Zhang, Tong; Chen, Xinyu; Chen, Qiao; Xue, Pengchong Spacer group-controlled luminescence and response of C3-symmetric triphenylamine derivatives towards force stimuli CrystEngComm 23(1) (2021) 202-209
Space group: C 1 c 1
Cell volume: 3453.2
Cell parameters: 10.4053; 32.028; 10.37836; 90; 93.2313; 90;  

COD ID: 7241580
CIF file Formula: - C7 H10 N4 O3 -
Comments: Majodina, Siphumelele; Ndima, Lubabalo; Abosede, Olufunso O.; Hosten, Eric C.; Lorentino, Carolline M. A.; Frota, Heloísa F.; Sangenito, Leandro S.; Branquinha, Marta H.; Santos, André L. S.; Ogunlaja, Adeniyi S. Physical stability enhancement and antimicrobial properties of a sodium ionic cocrystal with theophylline CrystEngComm 23(2) (2021) 335-352
Space group: P 1 21/n 1
Cell volume: 893.18
Cell parameters: 4.472; 15.3544; 13.1342; 90; 97.953; 90;  

COD ID: 7241581
CIF file Formula: - C14 H20 Cl N8 Na O10 -
Comments: Majodina, Siphumelele; Ndima, Lubabalo; Abosede, Olufunso O.; Hosten, Eric C.; Lorentino, Carolline M. A.; Frota, Heloísa F.; Sangenito, Leandro S.; Branquinha, Marta H.; Santos, André L. S.; Ogunlaja, Adeniyi S. Physical stability enhancement and antimicrobial properties of a sodium ionic cocrystal with theophylline CrystEngComm 23(2) (2021) 335-352
Space group: C 1 2/c 1
Cell volume: 2124.62
Cell parameters: 20.7314; 9.6579; 10.6217; 90; 92.531; 90;  

COD ID: 7241582
CIF file Formula: - C19 H20 N6 O4 -
Comments: Majodina, Siphumelele; Ndima, Lubabalo; Abosede, Olufunso O.; Hosten, Eric C.; Lorentino, Carolline M. A.; Frota, Heloísa F.; Sangenito, Leandro S.; Branquinha, Marta H.; Santos, André L. S.; Ogunlaja, Adeniyi S. Physical stability enhancement and antimicrobial properties of a sodium ionic cocrystal with theophylline CrystEngComm 23(2) (2021) 335-352
Space group: P 1 21 1
Cell volume: 932.74
Cell parameters: 9.3613; 7.0465; 14.5134; 90; 103.023; 90;  

COD ID: 7241583
CIF file Formula: - C20 H22 N4 O5 Zn -
Comments: Wang, Jun; Rao, Congying; Lu, Lu; Zhang, Shile; Muddassir, Mohd; Liu, Jianqiang Efficient photocatalytic degradation of methyl violet using two new 3D MOFs directed by different carboxylate spacers CrystEngComm 23(3) (2021) 741-747
Space group: P 1 2/n 1
Cell volume: 1113.1
Cell parameters: 9.2408; 9.508; 12.6724; 90; 91.446; 90;  

COD ID: 7241584
CIF file Formula: - C75 H69 Cd3 N7 O15 -
Comments: Wang, Jun; Rao, Congying; Lu, Lu; Zhang, Shile; Muddassir, Mohd; Liu, Jianqiang Efficient photocatalytic degradation of methyl violet using two new 3D MOFs directed by different carboxylate spacers CrystEngComm 23(3) (2021) 741-747
Space group: P -1
Cell volume: 3969.7
Cell parameters: 14.2908; 15.7878; 18.8266; 97.294; 92.079; 109.017;  

COD ID: 7241590
CIF file Formula: - C19 H16 N2 O3 -
Comments: Craddock, Drew E.; Parks, McKenzie J.; Taylor, Lauren A.; Wagner, Benjamin L.; Ruf, Michael; Wheeler, Kraig A. Increasing the structural boundary of quasiracemate formation: 4-substituted naphthylamides CrystEngComm 23(1) (2021) 210-215
Space group: P 1 21/n 1
Cell volume: 1544.61
Cell parameters: 5.2267; 28.5292; 10.3735; 90; 93.071; 90;  

COD ID: 7241591
CIF file Formula: - C38 H33 F N2 O2 -
Comments: Craddock, Drew E.; Parks, McKenzie J.; Taylor, Lauren A.; Wagner, Benjamin L.; Ruf, Michael; Wheeler, Kraig A. Increasing the structural boundary of quasiracemate formation: 4-substituted naphthylamides CrystEngComm 23(1) (2021) 210-215
Space group: P 1
Cell volume: 1432.83
Cell parameters: 9.8518; 10.2278; 15.3791; 76.292; 88.604; 72.362;  

COD ID: 7241592
CIF file Formula: - C19 H16 Br N O -
Comments: Craddock, Drew E.; Parks, McKenzie J.; Taylor, Lauren A.; Wagner, Benjamin L.; Ruf, Michael; Wheeler, Kraig A. Increasing the structural boundary of quasiracemate formation: 4-substituted naphthylamides CrystEngComm 23(1) (2021) 210-215
Space group: P -1
Cell volume: 1541.69
Cell parameters: 9.8905; 10.1651; 16.7066; 104.665; 94.546; 106.011;  

COD ID: 7241593
CIF file Formula: - C38 H33 N3 O4 -
Comments: Craddock, Drew E.; Parks, McKenzie J.; Taylor, Lauren A.; Wagner, Benjamin L.; Ruf, Michael; Wheeler, Kraig A. Increasing the structural boundary of quasiracemate formation: 4-substituted naphthylamides CrystEngComm 23(1) (2021) 210-215
Space group: P 1
Cell volume: 1481.47
Cell parameters: 9.8313; 10.266; 15.7098; 101.103; 92.295; 106.83;  

COD ID: 7241594
CIF file Formula: - C38 H32 Br F N2 O2 -
Comments: Craddock, Drew E.; Parks, McKenzie J.; Taylor, Lauren A.; Wagner, Benjamin L.; Ruf, Michael; Wheeler, Kraig A. Increasing the structural boundary of quasiracemate formation: 4-substituted naphthylamides CrystEngComm 23(1) (2021) 210-215
Space group: P 1
Cell volume: 1495.16
Cell parameters: 9.9188; 10.2275; 15.9392; 102.789; 93.699; 106.801;  

COD ID: 7241595
CIF file Formula: - C19 H16 F N O -
Comments: Craddock, Drew E.; Parks, McKenzie J.; Taylor, Lauren A.; Wagner, Benjamin L.; Ruf, Michael; Wheeler, Kraig A. Increasing the structural boundary of quasiracemate formation: 4-substituted naphthylamides CrystEngComm 23(1) (2021) 210-215
Space group: P -1
Cell volume: 1437.8
Cell parameters: 9.9304; 10.2239; 15.3905; 74.356; 86.699; 72.907;  

COD ID: 7241596
CIF file Formula: - C19 H17 N O -
Comments: Craddock, Drew E.; Parks, McKenzie J.; Taylor, Lauren A.; Wagner, Benjamin L.; Ruf, Michael; Wheeler, Kraig A. Increasing the structural boundary of quasiracemate formation: 4-substituted naphthylamides CrystEngComm 23(1) (2021) 210-215
Space group: P -1
Cell volume: 17326.2
Cell parameters: 10.2165; 30.0352; 57.342; 89.578; 87.451; 80.285;  

COD ID: 7241597
CIF file Formula: - C23 H22 F N3 -
Comments: Guo, Shengmei; Zhang, Yuyang; Huang, Jianyan; Kong, Lin; Yang, Jiaxiang High dual-state blue emission of a functionalized pyrazoline derivative for picric acid detection CrystEngComm 23(1) (2021) 221-226
Space group: P 21 21 21
Cell volume: 1900.4
Cell parameters: 5.896; 8.913; 36.162; 90; 90; 90;  

COD ID: 7241598
CIF file Formula: - C33 H31 Cd N5 O5 -
Comments: Chen, Zhen; Guo, Jingyu; Han, Shujuan; Zeng, Hao; Yang, Zhihua; Pan, Shilie AB11O16(OH)2 (A = K and Cs): interpenetrating 2D layers with large birefringence CrystEngComm 23(1) (2021) 35-39
Space group: P 1 21/c 1
Cell volume: 3068.2
Cell parameters: 10.1575; 30.064; 13.2675; 90; 130.775; 90;  

COD ID: 7241599
CIF file Formula: - C19 H13 N5 -
Comments: Chen, Zhen; Guo, Jingyu; Han, Shujuan; Zeng, Hao; Yang, Zhihua; Pan, Shilie AB11O16(OH)2 (A = K and Cs): interpenetrating 2D layers with large birefringence CrystEngComm 23(1) (2021) 35-39
Space group: C 1 2/c 1
Cell volume: 1435.97
Cell parameters: 14.6265; 12.7279; 7.7874; 90; 97.902; 90;  

COD ID: 7241604
CIF file Formula: - C28 H31 N O9 S -
Comments: Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring CrystEngComm 23(1) (2021) 30-34
Space group: P 1 21 1
Cell volume: 1314.4
Cell parameters: 12.7125; 8.0135; 12.9098; 90; 91.92; 90;  

COD ID: 7241605
CIF file Formula: - C20 H22 O6 S -
Comments: Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring CrystEngComm 23(1) (2021) 30-34
Space group: C 1 c 1
Cell volume: 1858.11
Cell parameters: 9.2402; 31.6946; 6.4645; 90; 101.052; 90;  

COD ID: 7241606
CIF file Formula: - C32 H33 N O9 S -
Comments: Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring CrystEngComm 23(1) (2021) 30-34
Space group: P 21 21 21
Cell volume: 2871.4
Cell parameters: 7.825; 16.685; 21.993; 90; 90; 90;  

COD ID: 7241607
CIF file Formula: - C29 H33 N O9 S -
Comments: Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring CrystEngComm 23(1) (2021) 30-34
Space group: P 1 21 1
Cell volume: 1395.1
Cell parameters: 12.858; 8.1256; 13.356; 90; 91.313; 90;  

COD ID: 7241608
CIF file Formula: - C17 H20 O5 S -
Comments: Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring CrystEngComm 23(1) (2021) 30-34
Space group: P 1 21/c 1
Cell volume: 1633.87
Cell parameters: 6.6868; 31.6978; 7.7242; 90; 93.655; 90;  

COD ID: 7241609
CIF file Formula: - C30 H32 O10 S2 -
Comments: Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring CrystEngComm 23(1) (2021) 30-34
Space group: P -1
Cell volume: 697.12
Cell parameters: 6.8451; 9.0199; 12.2623; 81.489; 78.81; 70.464;  

COD ID: 7241610
CIF file Formula: - C14 H14 O5 S -
Comments: Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring CrystEngComm 23(1) (2021) 30-34
Space group: P n a 21
Cell volume: 1322.19
Cell parameters: 6.988; 30.2686; 6.251; 90; 90; 90;  

COD ID: 7241611
CIF file Formula: - C24 H20 O10 S2 -
Comments: Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring CrystEngComm 23(1) (2021) 30-34
Space group: P -1
Cell volume: 547.19
Cell parameters: 7.0583; 8.1581; 10.068; 102.65; 104.172; 90.598;  

COD ID: 7241612
CIF file Formula: - C14 H14 O4 S -
Comments: Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring CrystEngComm 23(1) (2021) 30-34
Space group: P 1 21/n 1
Cell volume: 1295.64
Cell parameters: 9.5417; 10.8327; 12.7884; 90; 101.427; 90;  

COD ID: 7241613
CIF file Formula: - C44 H56 N2 O15 -
Comments: Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring CrystEngComm 23(1) (2021) 30-34
Space group: P 1 21 1
Cell volume: 2167
Cell parameters: 13.829; 10.484; 15.998; 90; 110.885; 90;  

COD ID: 7241614
CIF file Formula: - C24 H24 O10 S2 -
Comments: Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring CrystEngComm 23(1) (2021) 30-34
Space group: P 1 21/c 1
Cell volume: 2399.49
Cell parameters: 15.4803; 12.7831; 12.1312; 90; 91.739; 90;  

COD ID: 7241615
CIF file Formula: - C17 H16 O5 S -
Comments: Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring CrystEngComm 23(1) (2021) 30-34
Space group: P 1 21/n 1
Cell volume: 1566.4
Cell parameters: 6.7177; 16.233; 14.53; 90; 98.666; 90;  

COD ID: 7241616
CIF file Formula: - C17 H20 O8 S -
Comments: Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring CrystEngComm 23(1) (2021) 30-34
Space group: P 1 21/c 1
Cell volume: 1802.9
Cell parameters: 6.7888; 20.096; 13.5491; 90; 102.749; 90;  

COD ID: 7241617
CIF file Formula: - C12 H16 Cl N O7 -
Comments: Malapile, Ramokone Junia; Nyamayaro, Kudzanai; Nassimbeni, Luigi R.; Báthori, Nikoletta B. Multicomponent crystals of baclofen with acids and bases—conformational flexibility and synthon versatility CrystEngComm 23(1) (2021) 91-99
Space group: P -1
Cell volume: 728.4
Cell parameters: 7.0962; 9.651; 11.031; 80.82; 77.59; 88.31;  

COD ID: 7241618
CIF file Formula: - C18 H20 Cl N O5 -
Comments: Malapile, Ramokone Junia; Nyamayaro, Kudzanai; Nassimbeni, Luigi R.; Báthori, Nikoletta B. Multicomponent crystals of baclofen with acids and bases—conformational flexibility and synthon versatility CrystEngComm 23(1) (2021) 91-99
Space group: P -1
Cell volume: 874.2
Cell parameters: 6.9834; 7.8322; 16.383; 79.08; 86.83; 83.81;  

COD ID: 7241619
CIF file Formula: - C26 H26 Cl5 N O9 -
Comments: Malapile, Ramokone Junia; Nyamayaro, Kudzanai; Nassimbeni, Luigi R.; Báthori, Nikoletta B. Multicomponent crystals of baclofen with acids and bases—conformational flexibility and synthon versatility CrystEngComm 23(1) (2021) 91-99
Space group: P -1
Cell volume: 1466.7
Cell parameters: 7.4548; 13.856; 14.684; 81.27; 81.44; 80.5;  

COD ID: 7241620
CIF file Formula: - C27 H35 Cl2 N3 O5 -
Comments: Malapile, Ramokone Junia; Nyamayaro, Kudzanai; Nassimbeni, Luigi R.; Báthori, Nikoletta B. Multicomponent crystals of baclofen with acids and bases—conformational flexibility and synthon versatility CrystEngComm 23(1) (2021) 91-99
Space group: P -1
Cell volume: 1411.4
Cell parameters: 5.9469; 12.127; 20.466; 101.74; 92; 101.56;  

COD ID: 7241621
CIF file Formula: - C17 H20 Cl N O6 -
Comments: Malapile, Ramokone Junia; Nyamayaro, Kudzanai; Nassimbeni, Luigi R.; Báthori, Nikoletta B. Multicomponent crystals of baclofen with acids and bases—conformational flexibility and synthon versatility CrystEngComm 23(1) (2021) 91-99
Space group: P 1 21/c 1
Cell volume: 1761.3
Cell parameters: 14.01; 17.797; 7.0663; 90; 91.43; 90;  

COD ID: 7241622
CIF file Formula: - C26 H33 Cl2 N3 O5 -
Comments: Malapile, Ramokone Junia; Nyamayaro, Kudzanai; Nassimbeni, Luigi R.; Báthori, Nikoletta B. Multicomponent crystals of baclofen with acids and bases—conformational flexibility and synthon versatility CrystEngComm 23(1) (2021) 91-99
Space group: P -1
Cell volume: 1365.8
Cell parameters: 5.9277; 12.15; 19.491; 88.49; 86.58; 77.1;  

COD ID: 7241623
CIF file Formula: - C18 H18 Cl3 N O5 -
Comments: Malapile, Ramokone Junia; Nyamayaro, Kudzanai; Nassimbeni, Luigi R.; Báthori, Nikoletta B. Multicomponent crystals of baclofen with acids and bases—conformational flexibility and synthon versatility CrystEngComm 23(1) (2021) 91-99
Space group: P 1 21/c 1
Cell volume: 1957.1
Cell parameters: 15.699; 8.7459; 14.834; 90; 106.08; 90;  

COD ID: 7241635
CIF file Formula: - C12 H14 N2 O4 -
Comments: Palai, Bibhuti Bhusana; Sharma, Nagendra K. N-Arylated peptide: troponyl residue influences the structure and conformation of N-troponylated-(di/tri)-peptides CrystEngComm 23(1) (2021) 131-139
Space group: P 1 21/n 1
Cell volume: 1216.08
Cell parameters: 13.8569; 4.8751; 18.186; 90; 98.164; 90;  

COD ID: 7241636
CIF file Formula: - C13 H16 N2 O4 -
Comments: Palai, Bibhuti Bhusana; Sharma, Nagendra K. N-Arylated peptide: troponyl residue influences the structure and conformation of N-troponylated-(di/tri)-peptides CrystEngComm 23(1) (2021) 131-139
Space group: P 1 21/c 1
Cell volume: 1324.48
Cell parameters: 13.8433; 11.6707; 8.3343; 90; 100.376; 90;  

COD ID: 7241637
CIF file Formula: - C13 H16 N2 O4 -
Comments: Palai, Bibhuti Bhusana; Sharma, Nagendra K. N-Arylated peptide: troponyl residue influences the structure and conformation of N-troponylated-(di/tri)-peptides CrystEngComm 23(1) (2021) 131-139
Space group: P 21 21 21
Cell volume: 1388.52
Cell parameters: 6.8111; 7.3881; 27.5932; 90; 90; 90;  

COD ID: 7241638
CIF file Formula: - C16 H22 N2 O4 -
Comments: Palai, Bibhuti Bhusana; Sharma, Nagendra K. N-Arylated peptide: troponyl residue influences the structure and conformation of N-troponylated-(di/tri)-peptides CrystEngComm 23(1) (2021) 131-139
Space group: P -1
Cell volume: 823.19
Cell parameters: 8.2453; 9.1188; 11.2435; 77.692; 86.278; 86.449;  

COD ID: 7241639
CIF file Formula: - C15 H20 N2 O4 -
Comments: Palai, Bibhuti Bhusana; Sharma, Nagendra K. N-Arylated peptide: troponyl residue influences the structure and conformation of N-troponylated-(di/tri)-peptides CrystEngComm 23(1) (2021) 131-139
Space group: P -1
Cell volume: 754.32
Cell parameters: 7.8029; 10.6573; 10.8703; 115.74; 99.231; 103.722;  

COD ID: 7241640
CIF file Formula: - C40 H44 N4 O8 -
Comments: Palai, Bibhuti Bhusana; Sharma, Nagendra K. N-Arylated peptide: troponyl residue influences the structure and conformation of N-troponylated-(di/tri)-peptides CrystEngComm 23(1) (2021) 131-139
Space group: P -1
Cell volume: 957.65
Cell parameters: 9.5709; 9.7281; 11.5654; 72.921; 79.751; 68.981;  

COD ID: 7241641
CIF file Formula: - C2 H24 B4 N4 -
Comments: Li, Huizhen; Wang, Ruirui; Kang, Jiaxin; Li, Shujun; Zhou, Ai-Ju; Han, Dong-xue; Guan, Hong-Yu; Austin, Douglas J.; Yue, Yanfeng Syntheses, formation mechanisms and structures of a series of linear diborazanes CrystEngComm 23(2) (2021) 404-410
Space group: P 1 21/m 1
Cell volume: 267.37
Cell parameters: 4.9595; 7.185; 7.507; 90; 91.847; 90;  

COD ID: 7241642
CIF file Formula: - C13 H36 B2 N2 O -
Comments: Li, Huizhen; Wang, Ruirui; Kang, Jiaxin; Li, Shujun; Zhou, Ai-Ju; Han, Dong-xue; Guan, Hong-Yu; Austin, Douglas J.; Yue, Yanfeng Syntheses, formation mechanisms and structures of a series of linear diborazanes CrystEngComm 23(2) (2021) 404-410
Space group: P -1
Cell volume: 865.9
Cell parameters: 8.168; 9.1913; 12.2517; 100.972; 106.036; 90.602;  

COD ID: 7241643
CIF file Formula: - C2 H14 B2 N2 -
Comments: Li, Huizhen; Wang, Ruirui; Kang, Jiaxin; Li, Shujun; Zhou, Ai-Ju; Han, Dong-xue; Guan, Hong-Yu; Austin, Douglas J.; Yue, Yanfeng Syntheses, formation mechanisms and structures of a series of linear diborazanes CrystEngComm 23(2) (2021) 404-410
Space group: P 1 21/c 1
Cell volume: 669.9
Cell parameters: 7.7493; 10.0768; 8.8384; 90; 103.921; 90;  

COD ID: 7241644
CIF file Formula: - C6 H22 B2 N2 -
Comments: Li, Huizhen; Wang, Ruirui; Kang, Jiaxin; Li, Shujun; Zhou, Ai-Ju; Han, Dong-xue; Guan, Hong-Yu; Austin, Douglas J.; Yue, Yanfeng Syntheses, formation mechanisms and structures of a series of linear diborazanes CrystEngComm 23(2) (2021) 404-410
Space group: P 1 21/c 1
Cell volume: 1002.2
Cell parameters: 11.479; 11.37; 8.0519; 90; 107.516; 90;  

COD ID: 7241645
CIF file Formula: - C16 H52 B4 N4 O6 -
Comments: Li, Huizhen; Wang, Ruirui; Kang, Jiaxin; Li, Shujun; Zhou, Ai-Ju; Han, Dong-xue; Guan, Hong-Yu; Austin, Douglas J.; Yue, Yanfeng Syntheses, formation mechanisms and structures of a series of linear diborazanes CrystEngComm 23(2) (2021) 404-410
Space group: P -1
Cell volume: 692.8
Cell parameters: 8.847; 9.433; 10.103; 116.645; 107.265; 95.625;  

COD ID: 7241646
CIF file Formula: - C3 H16 B2 N2 -
Comments: Li, Huizhen; Wang, Ruirui; Kang, Jiaxin; Li, Shujun; Zhou, Ai-Ju; Han, Dong-xue; Guan, Hong-Yu; Austin, Douglas J.; Yue, Yanfeng Syntheses, formation mechanisms and structures of a series of linear diborazanes CrystEngComm 23(2) (2021) 404-410
Space group: P 42/n :2
Cell volume: 1505.55
Cell parameters: 13.4684; 13.4684; 8.2997; 90; 90; 90;  

COD ID: 7241647
CIF file Formula: - C3 H16 B2 N2 -
Comments: Li, Huizhen; Wang, Ruirui; Kang, Jiaxin; Li, Shujun; Zhou, Ai-Ju; Han, Dong-xue; Guan, Hong-Yu; Austin, Douglas J.; Yue, Yanfeng Syntheses, formation mechanisms and structures of a series of linear diborazanes CrystEngComm 23(2) (2021) 404-410
Space group: C 1 2/c 1
Cell volume: 1417.1
Cell parameters: 21.6; 9.1048; 7.4175; 90; 103.733; 90;  

COD ID: 7241712
CIF file Formula: - Ca0.3 Ce0.7 Cs0.3 P S4 -
Comments: Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4 CrystEngComm 23(4) (2021) 831-840
Space group: R -3 m :H
Cell volume: 3223.3
Cell parameters: 16.5183; 16.5183; 13.6408; 90; 90; 120;  

COD ID: 7241713
CIF file Formula: - Ca0.5 Cs0.5 P Pr0.5 S4 -
Comments: Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4 CrystEngComm 23(4) (2021) 831-840
Space group: C 1 2/c 1
Cell volume: 1380.15
Cell parameters: 9.2095; 9.2341; 16.7221; 90; 103.946; 90;  

COD ID: 7241714
CIF file Formula: - Ca0.3 Cs0.3 P S4 Sm0.7 -
Comments: Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4 CrystEngComm 23(4) (2021) 831-840
Space group: R -3 m :H
Cell volume: 3138.36
Cell parameters: 16.4128; 16.4128; 13.4526; 90; 90; 120;  

COD ID: 7241715
CIF file Formula: - Ca0.3 Cs0.3 P Pr0.7 S4 -
Comments: Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4 CrystEngComm 23(4) (2021) 831-840
Space group: R -3 m :H
Cell volume: 3200.47
Cell parameters: 16.4968; 16.4968; 13.5795; 90; 90; 120;  

COD ID: 7241716
CIF file Formula: - Ca0.3 Cs0.3 Gd0.7 P S4 -
Comments: Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4 CrystEngComm 23(4) (2021) 831-840
Space group: R -3 m :H
Cell volume: 3106.21
Cell parameters: 16.3458; 16.3458; 13.4242; 90; 90; 120;  

COD ID: 7241717
CIF file Formula: - Ca0.5 Cs0.5 Gd0.5 P S4 -
Comments: Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4 CrystEngComm 23(4) (2021) 831-840
Space group: C 1 2/c 1
Cell volume: 1364.94
Cell parameters: 9.1603; 9.1898; 16.6882; 90; 103.687; 90;  

COD ID: 7241718
CIF file Formula: - Ca0.5 Cs0.5 Nd0.5 P S4 -
Comments: Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4 CrystEngComm 23(4) (2021) 831-840
Space group: C 1 2/c 1
Cell volume: 1376.52
Cell parameters: 9.197; 9.2233; 16.7149; 90; 103.871; 90;  

COD ID: 7241719
CIF file Formula: - Ca0.5 Cs0.5 Dy0.5 P S4 -
Comments: Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4 CrystEngComm 23(4) (2021) 831-840
Space group: C 1 2/c 1
Cell volume: 1357.66
Cell parameters: 9.1378; 9.1727; 16.6704; 90; 103.678; 90;  

COD ID: 7241720
CIF file Formula: - Ca0.5 Cs0.5 P S4 Tb0.5 -
Comments: Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4 CrystEngComm 23(4) (2021) 831-840
Space group: C 1 2/c 1
Cell volume: 1361.57
Cell parameters: 9.1479; 9.18; 16.6874; 90; 103.688; 90;  

COD ID: 7241721
CIF file Formula: - Ca0.3 Cs0.3 Dy0.7 P S4 -
Comments: Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4 CrystEngComm 23(4) (2021) 831-840
Space group: R -3 m :H
Cell volume: 3076.16
Cell parameters: 16.3288; 16.3288; 13.322; 90; 90; 120;  

COD ID: 7241722
CIF file Formula: - Ca0.3 Cs0.3 P S4 Tb0.7 -
Comments: Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4 CrystEngComm 23(4) (2021) 831-840
Space group: R -3 m :H
Cell volume: 3086.93
Cell parameters: 16.3448; 16.3448; 13.3425; 90; 90; 120;  

COD ID: 7241723
CIF file Formula: - Ca0.5 Cs0.5 P S4 Sm0.5 -
Comments: Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4 CrystEngComm 23(4) (2021) 831-840
Space group: C 1 2/c 1
Cell volume: 1368.88
Cell parameters: 9.1778; 9.2037; 16.6857; 90; 103.778; 90;  

COD ID: 7241724
CIF file Formula: - Ca0.3 Cs0.3 Nd0.7 P S4 -
Comments: Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4 CrystEngComm 23(4) (2021) 831-840
Space group: R -3 m :H
Cell volume: 3187.15
Cell parameters: 16.4932; 16.4932; 13.5289; 90; 90; 120;  

COD ID: 7241725
CIF file Formula: - C28 H24 Ca N12 O17 S2 -
Comments: Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers CrystEngComm 23(2) (2021) 465-481
Space group: P -1
Cell volume: 1891.8
Cell parameters: 10.54; 14.07; 15.113; 110.556; 106.367; 102.044;  

COD ID: 7241726
CIF file Formula: - C28 H24 N12 O17 S2 Sr -
Comments: Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers CrystEngComm 23(2) (2021) 465-481
Space group: P -1
Cell volume: 2103.8
Cell parameters: 10.714; 14.407; 15.63; 65.529; 73.674; 86.24;  

COD ID: 7241727
CIF file Formula: - C28 H24 N12 O17 S2 Sr -
Comments: Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers CrystEngComm 23(2) (2021) 465-481
Space group: P -1
Cell volume: 1925.5
Cell parameters: 10.77; 14.128; 15.073; 110.391; 107.23; 101.991;  

COD ID: 7241728
CIF file Formula: - C28 H24 Ba N12 O17 S2 -
Comments: Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers CrystEngComm 23(2) (2021) 465-481
Space group: P -1
Cell volume: 1927.38
Cell parameters: 11.244; 13.9869; 14.8283; 109.442; 111.672; 99.695;  

COD ID: 7241729
CIF file Formula: - C28 H24 N12 O17 S2 Sr -
Comments: Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers CrystEngComm 23(2) (2021) 465-481
Space group: P 1 21/n 1
Cell volume: 4581.7
Cell parameters: 16.623; 10.715; 25.723; 90; 90.124; 90;  

COD ID: 7241730
CIF file Formula: - C28 H24 Ca N12 O17 S2 -
Comments: Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers CrystEngComm 23(2) (2021) 465-481
Space group: P 1 21/n 1
Cell volume: 4442
Cell parameters: 16.5541; 10.4598; 25.6563; 90; 90.83; 90;  

COD ID: 7241731
CIF file Formula: - C56 H48 Ba2 N24 O30 S4 -
Comments: Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers CrystEngComm 23(2) (2021) 465-481
Space group: C 1 2/c 1
Cell volume: 16238
Cell parameters: 27.899; 15.2073; 39.875; 90; 106.296; 90;  

COD ID: 7241732
CIF file Formula: - C56 H47 Ca2 N24 O34 S4 -
Comments: Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers CrystEngComm 23(2) (2021) 465-481
Space group: P 21 21 2
Cell volume: 8438.5
Cell parameters: 25.565; 31.743; 10.3985; 90; 90; 90;  

COD ID: 7241733
CIF file Formula: - C46 H42 N24 O23 S2 Sr -
Comments: Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers CrystEngComm 23(2) (2021) 465-481
Space group: P 1 21/n 1
Cell volume: 6394
Cell parameters: 12.604; 16.258; 31.463; 90; 97.344; 90;  

COD ID: 7241734
CIF file Formula: - C4 H6 O6 -
Comments: Mroz, Damian; Wang, Ruimin; Englert, Ulli; Dronskowski, Richard Displacement parameters from density-functional theory and their validation in the experimental charge density of tartaric acid CrystEngComm 23(4) (2021) 1052-1058
Space group: P 1 21 1
Cell volume: 277.212
Cell parameters: 6.1757; 5.9211; 7.7084; 90; 100.434; 90;  

COD ID: 7241735
CIF file Formula: - C4 H6 O6 -
Comments: Mroz, Damian; Wang, Ruimin; Englert, Ulli; Dronskowski, Richard Displacement parameters from density-functional theory and their validation in the experimental charge density of tartaric acid CrystEngComm 23(4) (2021) 1052-1058
Space group: P 1 21 1
Cell volume: 277.212
Cell parameters: 6.1757; 5.9211; 7.7084; 90; 100.434; 90;  

COD ID: 7241741
CIF file Formula: - C72 H52 Cd4 O22 S4 -
Comments: Hsu, Kai-Ting; Thanasekaran, Pounraj; Hsu, Ting-Wei; Su, Cing-Huei; Chang, Bor-Chen; Liu, Yen-Hsiang; Hung, Chen-Hsiung; Lu, Kuang-Lieh A nonlinear optical cadmium(ii)-based metal‒organic framework with chiral helical chains derived from an achiral bent dicarboxylate ligand CrystEngComm 23(4) (2021) 824-830
Space group: P 1 21 1
Cell volume: 1545.71
Cell parameters: 14.329; 5.8217; 18.5725; 90; 93.903; 90;  

COD ID: 7241748
CIF file Formula: - C25 H21 Cd N4 O5 -
Comments: Fan, Ming Yue; Fu, Peng; Li, Jiao; Su, Zhong Min; Li, Xiao; Pan, Qing Qing; Hu, Xiao Li 2D luminescent metal‒organic framework: efficient and highly selective detection of 2,4,6-trinitrophenol at the ppb level CrystEngComm 23(4) (2021) 929-934
Space group: P 1 21/n 1
Cell volume: 2361
Cell parameters: 12.46; 10.231; 18.54; 90; 92.34; 90;  

COD ID: 7241749
CIF file Formula: - C35.4 H19 Cd3 N1.4 O16 S4 -
Comments: Liu, Jian-Jun; Xia, Shu-Biao; Liu, Dan; Liu, Jiaming; Cheng, Fei-Xiang Encapsulating organic guest cations in anionic MOFs that exhibit multi-responsive photochromism and photocontrolled luminescence CrystEngComm 23(4) (2021) 850-856
Space group: C 1 2/c 1
Cell volume: 4034.8
Cell parameters: 10.6427; 20.2187; 18.7795; 90; 93.18; 90;  

COD ID: 7241750
CIF file Formula: - C30 H22 Cd2 N2 O13 -
Comments: Liu, Jian-Jun; Xia, Shu-Biao; Liu, Dan; Liu, Jiaming; Cheng, Fei-Xiang Encapsulating organic guest cations in anionic MOFs that exhibit multi-responsive photochromism and photocontrolled luminescence CrystEngComm 23(4) (2021) 850-856
Space group: C 1 c 1
Cell volume: 3201.3
Cell parameters: 13.2067; 15.497; 16.513; 90; 108.694; 90;  

COD ID: 7241751
CIF file Formula: - C8 H14 Ca2 O9 -
Comments: Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez Arlt, Robin W. The elusive crystals of calcium acetate hemihydrate: chiral rods linked by parallel hydrophilic strips CrystEngComm 23(3) (2021) 707-713
Space group: I 41/a c d :2
Cell volume: 11613.9
Cell parameters: 33.1757; 33.1757; 10.5521; 90; 90; 90;  

COD ID: 7241758
CIF file Formula: - C36 H26 N8 O2 Zn -
Comments: Tómasson, Daníel Arnar; Ghosh, Dipankar; Kurup, M. R. Prathapachandra; Mulvee, Matthew T.; Damodaran, Krishna K. Evaluating the role of a urea-like motif in enhancing the thermal and mechanical strength of supramolecular gels CrystEngComm 23(3) (2021) 617-628
Space group: C 1 2/c 1
Cell volume: 6072.7
Cell parameters: 18.2863; 11.3902; 30.447; 90; 106.745; 90;  

COD ID: 7241759
CIF file Formula: - C18 H15 N5 O -
Comments: Tómasson, Daníel Arnar; Ghosh, Dipankar; Kurup, M. R. Prathapachandra; Mulvee, Matthew T.; Damodaran, Krishna K. Evaluating the role of a urea-like motif in enhancing the thermal and mechanical strength of supramolecular gels CrystEngComm 23(3) (2021) 617-628
Space group: P 1 21/n 1
Cell volume: 1500.83
Cell parameters: 3.8464; 11.0679; 35.2718; 90; 91.812; 90;  

COD ID: 7241760
CIF file Formula: - C18 H15 Cd Cl2 N5 O -
Comments: Tómasson, Daníel Arnar; Ghosh, Dipankar; Kurup, M. R. Prathapachandra; Mulvee, Matthew T.; Damodaran, Krishna K. Evaluating the role of a urea-like motif in enhancing the thermal and mechanical strength of supramolecular gels CrystEngComm 23(3) (2021) 617-628
Space group: P 1 21/n 1
Cell volume: 1889.19
Cell parameters: 8.1129; 14.5881; 15.9877; 90; 93.22; 90;  

COD ID: 7241761
CIF file Formula: - C36 H26 Cd N8 O2 -
Comments: Tómasson, Daníel Arnar; Ghosh, Dipankar; Kurup, M. R. Prathapachandra; Mulvee, Matthew T.; Damodaran, Krishna K. Evaluating the role of a urea-like motif in enhancing the thermal and mechanical strength of supramolecular gels CrystEngComm 23(3) (2021) 617-628
Space group: P 1 21/n 1
Cell volume: 3183
Cell parameters: 15.3928; 10.6783; 19.4846; 90; 96.349; 90;  

COD ID: 7241762
CIF file Formula: - C40 H36 Cd2 N8 O8 -
Comments: Tómasson, Daníel Arnar; Ghosh, Dipankar; Kurup, M. R. Prathapachandra; Mulvee, Matthew T.; Damodaran, Krishna K. Evaluating the role of a urea-like motif in enhancing the thermal and mechanical strength of supramolecular gels CrystEngComm 23(3) (2021) 617-628
Space group: I 41/a :2
Cell volume: 7899.1
Cell parameters: 29.63; 29.63; 8.9973; 90; 90; 90;  

COD ID: 7241763
CIF file Formula: - C36 H30 N12 O8 Zn -
Comments: Tómasson, Daníel Arnar; Ghosh, Dipankar; Kurup, M. R. Prathapachandra; Mulvee, Matthew T.; Damodaran, Krishna K. Evaluating the role of a urea-like motif in enhancing the thermal and mechanical strength of supramolecular gels CrystEngComm 23(3) (2021) 617-628
Space group: P 1 21/c 1
Cell volume: 3532.4
Cell parameters: 13.4129; 18.8966; 15.1602; 90; 113.177; 90;  

COD ID: 7241765
CIF file Formula: - C18 H18 B F2 N3 -
Comments: Ayhan, Mehmet Menaf; Özcan, Emrah; Dedeoglu, Burcu; Chumakov, Yurii; Zorlu, Yunus; Coşut, Bünyemin Carbon (sp3) tetrel bonding mediated BODIPY supramolecular assembly via unprecedented synergy of Csp3⋯N and Csp3⋯F pair interactions CrystEngComm 23(2) (2021) 268-272
Space group: P 1 21/c 1
Cell volume: 3234.9
Cell parameters: 24.878; 6.8029; 20.937; 90; 114.088; 90;  

COD ID: 7241766
CIF file Formula: - C18 H16 B F2 I2 N3 -
Comments: Ayhan, Mehmet Menaf; Özcan, Emrah; Dedeoglu, Burcu; Chumakov, Yurii; Zorlu, Yunus; Coşut, Bünyemin Carbon (sp3) tetrel bonding mediated BODIPY supramolecular assembly via unprecedented synergy of Csp3⋯N and Csp3⋯F pair interactions CrystEngComm 23(2) (2021) 268-272
Space group: C m c m
Cell volume: 1953.7
Cell parameters: 16.724; 15.302; 7.6345; 90; 90; 90;  

COD ID: 7241767
CIF file Formula: - C18 H17 B F2 I N3 -
Comments: Ayhan, Mehmet Menaf; Özcan, Emrah; Dedeoglu, Burcu; Chumakov, Yurii; Zorlu, Yunus; Coşut, Bünyemin Carbon (sp3) tetrel bonding mediated BODIPY supramolecular assembly via unprecedented synergy of Csp3⋯N and Csp3⋯F pair interactions CrystEngComm 23(2) (2021) 268-272
Space group: P 1 21/c 1
Cell volume: 1785.6
Cell parameters: 14.9264; 11.4332; 10.9861; 90; 107.745; 90;  

COD ID: 7241768
CIF file Formula: - C64 H68 Cl4 N4 O10 -
Comments: Tominaga, Masahide; Hyodo, Tadashi; Hikami, Yuya; Yamaguchi, Kentaro Solvent-dependent alignments and halogen-related interactions in inclusion crystals of adamantane-based macrocycle with pyridazine moieties CrystEngComm 23(2) (2021) 436-442
Space group: P 1 21/c 1
Cell volume: 2827.4
Cell parameters: 17.217; 11.2747; 16.415; 90; 117.459; 90;  

COD ID: 7241769
CIF file Formula: - C64 H68 Cl4 N4 O7 -
Comments: Tominaga, Masahide; Hyodo, Tadashi; Hikami, Yuya; Yamaguchi, Kentaro Solvent-dependent alignments and halogen-related interactions in inclusion crystals of adamantane-based macrocycle with pyridazine moieties CrystEngComm 23(2) (2021) 436-442
Space group: P 1 21/c 1
Cell volume: 2792.4
Cell parameters: 17.1722; 11.3008; 16.1727; 90; 117.16; 90;  

COD ID: 7241770
CIF file Formula: - C60 H54 Cl4 N4 O4 -
Comments: Tominaga, Masahide; Hyodo, Tadashi; Hikami, Yuya; Yamaguchi, Kentaro Solvent-dependent alignments and halogen-related interactions in inclusion crystals of adamantane-based macrocycle with pyridazine moieties CrystEngComm 23(2) (2021) 436-442
Space group: P 1 21/c 1
Cell volume: 2492.1
Cell parameters: 16.524; 13.9309; 11.3445; 90; 107.39; 90;  

COD ID: 7241771
CIF file Formula: - C59 H52 Cl4 N4 O4 -
Comments: Tominaga, Masahide; Hyodo, Tadashi; Hikami, Yuya; Yamaguchi, Kentaro Solvent-dependent alignments and halogen-related interactions in inclusion crystals of adamantane-based macrocycle with pyridazine moieties CrystEngComm 23(2) (2021) 436-442
Space group: P b c a
Cell volume: 4885.2
Cell parameters: 13.6415; 11.1851; 32.017; 90; 90; 90;  

COD ID: 7241772
CIF file Formula: - C54 H48 Cl8 N4 O4 -
Comments: Tominaga, Masahide; Hyodo, Tadashi; Hikami, Yuya; Yamaguchi, Kentaro Solvent-dependent alignments and halogen-related interactions in inclusion crystals of adamantane-based macrocycle with pyridazine moieties CrystEngComm 23(2) (2021) 436-442
Space group: P 1 21/c 1
Cell volume: 2502.2
Cell parameters: 16.397; 13.84; 11.647; 90; 108.793; 90;  

COD ID: 7241773
CIF file Formula: - C54 H46 Cl10 N4 O4 -
Comments: Tominaga, Masahide; Hyodo, Tadashi; Hikami, Yuya; Yamaguchi, Kentaro Solvent-dependent alignments and halogen-related interactions in inclusion crystals of adamantane-based macrocycle with pyridazine moieties CrystEngComm 23(2) (2021) 436-442
Space group: P 21 21 21
Cell volume: 5116.6
Cell parameters: 11.8817; 13.9512; 30.8666; 90; 90; 90;  

COD ID: 7241774
CIF file Formula: - C18 H20 N2 O3 -
Comments: Ahmed, Muhammad Naeem; Arif, Muneeba; Andleeb, Hina; Ali Shah, Syed Wadood; Arshad, Ifzan; Tahir, Muhammad Nawaz; Rocha, Mariana; Gil, Diego M. Interplay of weak noncovalent interactions in alkoxybenzylidene derivatives of benzohydrazide and acetohydrazide: a combined experimental and theoretical investigation and lipoxygenase inhibition (LOX) studies CrystEngComm 23(4) (2021) 955-971
Space group: P 1 21/c 1
Cell volume: 1596.1
Cell parameters: 23.896; 4.9911; 13.723; 90; 102.782; 90;  

COD ID: 7241775
CIF file Formula: - C24 H32 N2 O2 -
Comments: Ahmed, Muhammad Naeem; Arif, Muneeba; Andleeb, Hina; Ali Shah, Syed Wadood; Arshad, Ifzan; Tahir, Muhammad Nawaz; Rocha, Mariana; Gil, Diego M. Interplay of weak noncovalent interactions in alkoxybenzylidene derivatives of benzohydrazide and acetohydrazide: a combined experimental and theoretical investigation and lipoxygenase inhibition (LOX) studies CrystEngComm 23(4) (2021) 955-971
Space group: P c a 21
Cell volume: 2269
Cell parameters: 9.695; 24.699; 9.476; 90; 90; 90;  

COD ID: 7241776
CIF file Formula: - C32 H28 Cu2 I4 O10 -
Comments: Strothmann, Robert; van Terwingen, Steven; Kalf, Irmgard; Englert, Ulli Systematic screening for k type phase transitions ‒ general approach and positive example for a binuclear Cu(ii) paddlewheel structure CrystEngComm 23(4) (2021) 841-849
Space group: P -1
Cell volume: 1877.72
Cell parameters: 12.2984; 13.0766; 13.096; 74.6019; 67.9382; 87.6692;  

COD ID: 7241777
CIF file Formula: - C32 H28 Cu2 I4 O10 -
Comments: Strothmann, Robert; van Terwingen, Steven; Kalf, Irmgard; Englert, Ulli Systematic screening for k type phase transitions ‒ general approach and positive example for a binuclear Cu(ii) paddlewheel structure CrystEngComm 23(4) (2021) 841-849
Space group: P -1
Cell volume: 1885.41
Cell parameters: 12.311; 13.0867; 13.1261; 74.639; 67.9332; 87.7934;  

COD ID: 7241778
CIF file Formula: - C32 H28 Cu2 I4 O10 -
Comments: Strothmann, Robert; van Terwingen, Steven; Kalf, Irmgard; Englert, Ulli Systematic screening for k type phase transitions ‒ general approach and positive example for a binuclear Cu(ii) paddlewheel structure CrystEngComm 23(4) (2021) 841-849
Space group: P -1
Cell volume: 947.5
Cell parameters: 6.5823; 11.601; 13.001; 91.653; 103.841; 99.765;  

COD ID: 7241779
CIF file Formula: - C32 H28 Cu2 I4 O10 -
Comments: Strothmann, Robert; van Terwingen, Steven; Kalf, Irmgard; Englert, Ulli Systematic screening for k type phase transitions ‒ general approach and positive example for a binuclear Cu(ii) paddlewheel structure CrystEngComm 23(4) (2021) 841-849
Space group: P -1
Cell volume: 1849.19
Cell parameters: 12.2327; 13.0214; 13.0009; 74.4145; 68.2545; 87.4839;  

COD ID: 7241780
CIF file Formula: - C32 H28 Cu2 I4 O10 -
Comments: Strothmann, Robert; van Terwingen, Steven; Kalf, Irmgard; Englert, Ulli Systematic screening for k type phase transitions ‒ general approach and positive example for a binuclear Cu(ii) paddlewheel structure CrystEngComm 23(4) (2021) 841-849
Space group: P -1
Cell volume: 954.3
Cell parameters: 6.608; 11.633; 13.025; 91.803; 104.018; 99.843;  

COD ID: 7241781
CIF file Formula: - C32 H28 Cu2 I4 O10 -
Comments: Strothmann, Robert; van Terwingen, Steven; Kalf, Irmgard; Englert, Ulli Systematic screening for k type phase transitions ‒ general approach and positive example for a binuclear Cu(ii) paddlewheel structure CrystEngComm 23(4) (2021) 841-849
Space group: P -1
Cell volume: 1889.9
Cell parameters: 12.3254; 13.0852; 13.141; 74.6086; 68.004; 87.9267;  

COD ID: 7241782
CIF file Formula: - C32 H28 Cu2 I4 O10 -
Comments: Strothmann, Robert; van Terwingen, Steven; Kalf, Irmgard; Englert, Ulli Systematic screening for k type phase transitions ‒ general approach and positive example for a binuclear Cu(ii) paddlewheel structure CrystEngComm 23(4) (2021) 841-849
Space group: P -1
Cell volume: 948.23
Cell parameters: 6.5859; 11.5949; 13.0118; 91.61; 103.887; 99.737;  

COD ID: 7241783
CIF file Formula: - C32 H28 Cu2 I4 O10 -
Comments: Strothmann, Robert; van Terwingen, Steven; Kalf, Irmgard; Englert, Ulli Systematic screening for k type phase transitions ‒ general approach and positive example for a binuclear Cu(ii) paddlewheel structure CrystEngComm 23(4) (2021) 841-849
Space group: P -1
Cell volume: 1882.6
Cell parameters: 12.3144; 13.0777; 13.1092; 74.5741; 68.0058; 87.79;  

COD ID: 7241784
CIF file Formula: - C23 H20 Eu O11 -
Comments: Wang, Jiao-Min; Zhang, Peng-Feng; Cheng, Jian-Guo; Wang, Yao; Ma, Lu-Lu; Yang, Guo-Ping; Wang, Yao-Yu Luminescence tuning and sensing properties of stable 2D lanthanide metal‒organic frameworks built with symmetrical flexible tricarboxylic acid ligands containing ether oxygen bonds CrystEngComm 23(2) (2021) 411-418
Space group: P 1 21/c 1
Cell volume: 2199.5
Cell parameters: 16.1282; 8.4944; 16.6337; 90; 105.159; 90;  

COD ID: 7241785
CIF file Formula: - C23 H20 Dy O11 -
Comments: Wang, Jiao-Min; Zhang, Peng-Feng; Cheng, Jian-Guo; Wang, Yao; Ma, Lu-Lu; Yang, Guo-Ping; Wang, Yao-Yu Luminescence tuning and sensing properties of stable 2D lanthanide metal‒organic frameworks built with symmetrical flexible tricarboxylic acid ligands containing ether oxygen bonds CrystEngComm 23(2) (2021) 411-418
Space group: P 1 21/c 1
Cell volume: 2149
Cell parameters: 16.089; 8.4482; 16.397; 90; 105.373; 90;  

COD ID: 7241786
CIF file Formula: - C23 H20 O11 Tb -
Comments: Wang, Jiao-Min; Zhang, Peng-Feng; Cheng, Jian-Guo; Wang, Yao; Ma, Lu-Lu; Yang, Guo-Ping; Wang, Yao-Yu Luminescence tuning and sensing properties of stable 2D lanthanide metal‒organic frameworks built with symmetrical flexible tricarboxylic acid ligands containing ether oxygen bonds CrystEngComm 23(2) (2021) 411-418
Space group: P 1 21/c 1
Cell volume: 2155.9
Cell parameters: 16.108; 8.4565; 16.414; 90; 105.37; 90;  

COD ID: 7241791
CIF file Formula: - C40 H21 N4 O16 Sc3 -
Comments: Prasad, Ram R. R.; Pleass, Charlotte; Rigg, Amber L.; Cordes, David B.; Lozinska, Magdalena M.; Georgieva, Veselina M.; Hoffmann, Frank; Slawin, Alexandra M. Z.; Wright, Paul A. Isoreticular chemistry of scandium analogues of the multicomponent metal‒organic framework MIL-142 CrystEngComm 23(4) (2021) 804-812
Space group: R -3 m :H
Cell volume: 34532.6
Cell parameters: 28.8613; 28.8613; 47.8704; 90; 90; 120;  

COD ID: 7241792
CIF file Formula: - C40 H20 N5 O18 Sc3 -
Comments: Prasad, Ram R. R.; Pleass, Charlotte; Rigg, Amber L.; Cordes, David B.; Lozinska, Magdalena M.; Georgieva, Veselina M.; Hoffmann, Frank; Slawin, Alexandra M. Z.; Wright, Paul A. Isoreticular chemistry of scandium analogues of the multicomponent metal‒organic framework MIL-142 CrystEngComm 23(4) (2021) 804-812
Space group: R -3 m :H
Cell volume: 34478.4
Cell parameters: 28.817; 28.817; 47.9423; 90; 90; 120;  

COD ID: 7241793
CIF file Formula: - C40 H22 N5 O16 Sc3 -
Comments: Prasad, Ram R. R.; Pleass, Charlotte; Rigg, Amber L.; Cordes, David B.; Lozinska, Magdalena M.; Georgieva, Veselina M.; Hoffmann, Frank; Slawin, Alexandra M. Z.; Wright, Paul A. Isoreticular chemistry of scandium analogues of the multicomponent metal‒organic framework MIL-142 CrystEngComm 23(4) (2021) 804-812
Space group: R -3 m :H
Cell volume: 34542
Cell parameters: 28.8727; 28.8727; 47.845; 90; 90; 120;  

COD ID: 7241794
CIF file Formula: - C58 H38 N O16 Sc3 -
Comments: Prasad, Ram R. R.; Pleass, Charlotte; Rigg, Amber L.; Cordes, David B.; Lozinska, Magdalena M.; Georgieva, Veselina M.; Hoffmann, Frank; Slawin, Alexandra M. Z.; Wright, Paul A. Isoreticular chemistry of scandium analogues of the multicomponent metal‒organic framework MIL-142 CrystEngComm 23(4) (2021) 804-812
Space group: P -6 2 c
Cell volume: 14873.8
Cell parameters: 31.808; 31.808; 16.9754; 90; 90; 120;  

COD ID: 7241795
CIF file Formula: - C42.67 H23.67 N1.33 O16 Sc3 -
Comments: Prasad, Ram R. R.; Pleass, Charlotte; Rigg, Amber L.; Cordes, David B.; Lozinska, Magdalena M.; Georgieva, Veselina M.; Hoffmann, Frank; Slawin, Alexandra M. Z.; Wright, Paul A. Isoreticular chemistry of scandium analogues of the multicomponent metal‒organic framework MIL-142 CrystEngComm 23(4) (2021) 804-812
Space group: R -3 m :H
Cell volume: 34733
Cell parameters: 28.7845; 28.7845; 48.405; 90; 90; 120;  

COD ID: 7241796
CIF file Formula: - C42 H46 N2 O8 -
Comments: Chahine, Ali Y.; Turner, David R.; Batten, Stuart R. Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores CrystEngComm 23(3) (2021) 569-590
Space group: P -1
Cell volume: 906.5
Cell parameters: 6.28; 11.263; 13.232; 100.71; 96.26; 96.09;  

COD ID: 7241797
CIF file Formula: - C74 H82 N4 O10 -
Comments: Chahine, Ali Y.; Turner, David R.; Batten, Stuart R. Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores CrystEngComm 23(3) (2021) 569-590
Space group: P -1
Cell volume: 1529.9
Cell parameters: 6.3; 15.21; 17.39; 112.89; 91.22; 93.74;  

COD ID: 7241798
CIF file Formula: - C49 H70 N3 O17.5 -
Comments: Chahine, Ali Y.; Turner, David R.; Batten, Stuart R. Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores CrystEngComm 23(3) (2021) 569-590
Space group: P -1
Cell volume: 1284.96
Cell parameters: 8.2759; 11.7985; 13.6442; 85.64; 75.452; 86.886;  

COD ID: 7241799
CIF file Formula: - C46 H46 N2 O8 -
Comments: Chahine, Ali Y.; Turner, David R.; Batten, Stuart R. Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores CrystEngComm 23(3) (2021) 569-590
Space group: P -1
Cell volume: 947.06
Cell parameters: 7.67; 8.6982; 16.1026; 97.309; 100.27; 113.335;  

COD ID: 7241800
CIF file Formula: - C50 H55 Cd2 N3 O11 -
Comments: Chahine, Ali Y.; Turner, David R.; Batten, Stuart R. Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores CrystEngComm 23(3) (2021) 569-590
Space group: C 1 2/c 1
Cell volume: 4902.28
Cell parameters: 33.9304; 12.9471; 11.1617; 90; 91.193; 90;  

COD ID: 7241801
CIF file Formula: - C62 H50 Cd2 N2 O8 -
Comments: Chahine, Ali Y.; Turner, David R.; Batten, Stuart R. Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores CrystEngComm 23(3) (2021) 569-590
Space group: P 1 21/n 1
Cell volume: 9228
Cell parameters: 26.397; 11.976; 29.443; 90; 97.51; 90;  

COD ID: 7241802
CIF file Formula: - C50 H55 Mn2 N3 O11 -
Comments: Chahine, Ali Y.; Turner, David R.; Batten, Stuart R. Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores CrystEngComm 23(3) (2021) 569-590
Space group: C 1 2/c 1
Cell volume: 4843.3
Cell parameters: 34.247; 13.083; 10.812; 90; 91.17; 90;  

COD ID: 7241803
CIF file Formula: - C38 H50 Cd2 Cl2 N2 O15 -
Comments: Chahine, Ali Y.; Turner, David R.; Batten, Stuart R. Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores CrystEngComm 23(3) (2021) 569-590
Space group: P -1
Cell volume: 1023.8
Cell parameters: 9.469; 10.395; 10.692; 98.87; 96.95; 96.11;  

COD ID: 7241804
CIF file Formula: - C62 H54 N2 O8 -
Comments: Chahine, Ali Y.; Turner, David R.; Batten, Stuart R. Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores CrystEngComm 23(3) (2021) 569-590
Space group: P -1
Cell volume: 1161.2
Cell parameters: 7.61; 8.14; 19.08; 92.58; 97.1; 97.29;  

COD ID: 7241805
CIF file Formula: - C41.5 H47.5 N3.5 Na O9.5 Zn -
Comments: Chahine, Ali Y.; Turner, David R.; Batten, Stuart R. Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores CrystEngComm 23(3) (2021) 569-590
Space group: P -1
Cell volume: 1964
Cell parameters: 10.508; 14.186; 14.263; 111.15; 97.39; 90.01;  

COD ID: 7241806
CIF file Formula: - C68 H72 Cd2 N4 O14 -
Comments: Chahine, Ali Y.; Turner, David R.; Batten, Stuart R. Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores CrystEngComm 23(3) (2021) 569-590
Space group: P 1 21/c 1
Cell volume: 3177.6
Cell parameters: 22.93; 17.33; 8.03; 90; 95.24; 90;  

COD ID: 7241807
CIF file Formula: - C43.25 H49.25 N3.75 O11.75 Zn2.5 -
Comments: Chahine, Ali Y.; Turner, David R.; Batten, Stuart R. Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores CrystEngComm 23(3) (2021) 569-590
Space group: C 1 2/c 1
Cell volume: 14413.2
Cell parameters: 20.8995; 21.0392; 32.8802; 90; 94.498; 90;  

COD ID: 7241808
CIF file Formula: - C46 H44 Cu2 N2 O10 -
Comments: Chahine, Ali Y.; Turner, David R.; Batten, Stuart R. Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores CrystEngComm 23(3) (2021) 569-590
Space group: P n m a
Cell volume: 4811.1
Cell parameters: 12.159; 31.183; 12.689; 90; 90; 90;  

COD ID: 7241809
CIF file Formula: - C40.25 H42.25 Co2.5 N2.75 O10.75 -
Comments: Chahine, Ali Y.; Turner, David R.; Batten, Stuart R. Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores CrystEngComm 23(3) (2021) 569-590
Space group: C 1 2/c 1
Cell volume: 14451
Cell parameters: 20.898; 21.113; 32.881; 90; 95.06; 90;  

COD ID: 7241810
CIF file Formula: - C62 H50 N2 O8.67 Zn2.67 -
Comments: Chahine, Ali Y.; Turner, David R.; Batten, Stuart R. Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores CrystEngComm 23(3) (2021) 569-590
Space group: P -1
Cell volume: 22241
Cell parameters: 23.24; 30.59; 33.17; 74.89; 77.68; 86.47;  

COD ID: 7241811
CIF file Formula: - C44 H50 N4 O12 Zn3 -
Comments: Chahine, Ali Y.; Turner, David R.; Batten, Stuart R. Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores CrystEngComm 23(3) (2021) 569-590
Space group: P -1
Cell volume: 1346
Cell parameters: 6.196; 14.364; 15.756; 79.97; 79.48; 80.88;  

COD ID: 7241812
CIF file Formula: - C22 H24 Cu N2 O5 -
Comments: Chahine, Ali Y.; Turner, David R.; Batten, Stuart R. Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores CrystEngComm 23(3) (2021) 569-590
Space group: C 1 2/c 1
Cell volume: 4919.1
Cell parameters: 16.386; 11.425; 26.726; 90; 100.53; 90;  

COD ID: 7241813
CIF file Formula: - C51 H58 N4 O10 Zn2 -
Comments: Chahine, Ali Y.; Turner, David R.; Batten, Stuart R. Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores CrystEngComm 23(3) (2021) 569-590
Space group: C 1 2/c 1
Cell volume: 5352
Cell parameters: 37.413; 12.588; 11.684; 90; 103.43; 90;  

COD ID: 7241814
CIF file Formula: - C42.5 H44.5 Co K2 N3.5 O9.5 -
Comments: Chahine, Ali Y.; Turner, David R.; Batten, Stuart R. Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores CrystEngComm 23(3) (2021) 569-590
Space group: C 1 2/c 1
Cell volume: 10206
Cell parameters: 32.349; 12.005; 26.75; 90; 100.76; 90;  

COD ID: 7241815
CIF file Formula: - C42 H43.33 N3.33 Na1.33 O9.33 Zr0.67 -
Comments: Chahine, Ali Y.; Turner, David R.; Batten, Stuart R. Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores CrystEngComm 23(3) (2021) 569-590
Space group: P -1
Cell volume: 3745.7
Cell parameters: 12.33; 18.33; 18.92; 66.42; 77.02; 74.7;  

COD ID: 7241816
CIF file Formula: - C43 H51 N3 O18 Zr3 -
Comments: Chahine, Ali Y.; Turner, David R.; Batten, Stuart R. Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores CrystEngComm 23(3) (2021) 569-590
Space group: C 1 2/m 1
Cell volume: 12081
Cell parameters: 29.68; 30.61; 13.46; 90; 98.91; 90;  

COD ID: 7241817
CIF file Formula: - C56 H56 Cl4 Cu4 N8 O28 -
Comments: Akhtaruzzaman,; Mohammad, Mukti; Khan, Samim; Dutta, Basudeb; Maity, Suvendu; Naaz, Sanobar; Alam, Seikh Mafiz; Ghosh, Prasanta; Islam, Md. Maidul; Mir, Mohammad Hedayetullah One-pot crystallization of two 1,4-cyclohexanedicarboxylate-based tetranuclear Cu(ii) compounds and their DNA binding affinities CrystEngComm 23(5) (2021) 1091-1098
Space group: P 1 21/n 1
Cell volume: 3351.3
Cell parameters: 9.5466; 17.6942; 20.2248; 90; 101.2; 90;  

COD ID: 7241818
CIF file Formula: - C56 H56 Cl2 Cu4 N8 O20 -
Comments: Akhtaruzzaman,; Mohammad, Mukti; Khan, Samim; Dutta, Basudeb; Maity, Suvendu; Naaz, Sanobar; Alam, Seikh Mafiz; Ghosh, Prasanta; Islam, Md. Maidul; Mir, Mohammad Hedayetullah One-pot crystallization of two 1,4-cyclohexanedicarboxylate-based tetranuclear Cu(ii) compounds and their DNA binding affinities CrystEngComm 23(5) (2021) 1091-1098
Space group: P -1
Cell volume: 1495.86
Cell parameters: 9.3595; 12.4592; 14.5015; 87.821; 72.827; 68.258;  

COD ID: 7241819
CIF file Formula: - C71 H78 N O35 -
Comments: Butkiewicz, Helena; Kosiorek, Sandra; Sashuk, Volodymyr; Danylyuk, Oksana Unveiling the structural features of the host‒guest complexes of carboxylated pillar[5]arene with viologen derivatives CrystEngComm 23(5) (2021) 1075-1082
Space group: P -1
Cell volume: 3663
Cell parameters: 12.9186; 13.6147; 21.739; 89.925; 81.101; 76.021;  

COD ID: 7241820
CIF file Formula: - C66 H81 Mg N2 O41.5 -
Comments: Butkiewicz, Helena; Kosiorek, Sandra; Sashuk, Volodymyr; Danylyuk, Oksana Unveiling the structural features of the host‒guest complexes of carboxylated pillar[5]arene with viologen derivatives CrystEngComm 23(5) (2021) 1075-1082
Space group: I 1 2/a 1
Cell volume: 14748.7
Cell parameters: 35.528; 12.9487; 33.1933; 90; 105.019; 90;  

COD ID: 7241821
CIF file Formula: - C69 H79 N2 O36.5 -
Comments: Butkiewicz, Helena; Kosiorek, Sandra; Sashuk, Volodymyr; Danylyuk, Oksana Unveiling the structural features of the host‒guest complexes of carboxylated pillar[5]arene with viologen derivatives CrystEngComm 23(5) (2021) 1075-1082
Space group: P 1 21/n 1
Cell volume: 6834.9
Cell parameters: 21.8515; 12.375; 27.435; 90; 112.883; 90;  

COD ID: 7241822
CIF file Formula: - C67 H72.54 N2 O35.27 -
Comments: Butkiewicz, Helena; Kosiorek, Sandra; Sashuk, Volodymyr; Danylyuk, Oksana Unveiling the structural features of the host‒guest complexes of carboxylated pillar[5]arene with viologen derivatives CrystEngComm 23(5) (2021) 1075-1082
Space group: P 1 21/c 1
Cell volume: 6552.8
Cell parameters: 21.4549; 12.5308; 26.2757; 90; 111.934; 90;  

COD ID: 7241823
CIF file Formula: - C114 H135 Cu12 N24 O36 -
Comments: Dinca, Alina S.; Dogaru, Andreea; Ion, Adrian E.; Nica, Simona; Dumitrescu, Dan; Shova, Sergiu; Lloret, Francesc; Julve, Miguel; Andruh, Marius An original 3D coordination polymer constructed from trinuclear nodes and tetracarboxylato spacers CrystEngComm 23(6) (2021) 1332-1335
Space group: I 2 3
Cell volume: 47975
Cell parameters: 36.336; 36.336; 36.336; 90; 90; 90;  

COD ID: 7241824
CIF file Formula: - As2 O3 -
Comments: Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm 23(3) (2021) 638-644
Space group: P 1 21/n 1
Cell volume: 311.661
Cell parameters: 5.3224; 12.94547; 4.53602; 90; 94.289; 90;  

COD ID: 7241825
CIF file Formula: - As2 O3 -
Comments: Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm 23(3) (2021) 638-644
Space group: P 1 21/n 1
Cell volume: 299.49
Cell parameters: 5.2379; 12.75457; 4.49625; 90; 94.413; 90;  

COD ID: 7241826
CIF file Formula: - As2 O3 -
Comments: Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm 23(3) (2021) 638-644
Space group: P 1 21/n 1
Cell volume: 281.45
Cell parameters: 5.1081; 12.49492; 4.4239; 90; 94.591; 90;  

COD ID: 7241827
CIF file Formula: - As2 O3 -
Comments: Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm 23(3) (2021) 638-644
Space group: P 1 21/n 1
Cell volume: 286.22
Cell parameters: 5.1421; 12.56168; 4.4451; 90; 94.552; 90;  

COD ID: 7241828
CIF file Formula: - As2 O3 -
Comments: Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm 23(3) (2021) 638-644
Space group: P 1 21/n 1
Cell volume: 276.79
Cell parameters: 5.0748; 12.42717; 4.4031; 90; 94.604; 90;  

COD ID: 7241829
CIF file Formula: - As2 O3 -
Comments: Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm 23(3) (2021) 638-644
Space group: P 1 21/n 1
Cell volume: 264.51
Cell parameters: 4.9826; 12.26098; 4.3436; 90; 94.581; 90;  

COD ID: 7241830
CIF file Formula: - As2 O3 -
Comments: Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm 23(3) (2021) 638-644
Space group: P 1 21/n 1
Cell volume: 268.17
Cell parameters: 5.0087; 12.31139; 4.3629; 90; 94.593; 90;  

COD ID: 7241831
CIF file Formula: - As2 O3 -
Comments: Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm 23(3) (2021) 638-644
Space group: P 1 21/n 1
Cell volume: 215.35
Cell parameters: 4.6166; 11.5551; 4.0512; 90; 94.807; 90;  

COD ID: 7241832
CIF file Formula: - As2 O3 -
Comments: Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm 23(3) (2021) 638-644
Space group: P 1 21/n 1
Cell volume: 252.69
Cell parameters: 4.8892; 12.10248; 4.2841; 90; 94.569; 90;  

COD ID: 7241833
CIF file Formula: - As2 O3 -
Comments: Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm 23(3) (2021) 638-644
Space group: P 1 21/n 1
Cell volume: 249.33
Cell parameters: 4.8627; 12.05705; 4.2663; 90; 94.603; 90;  

COD ID: 7241834
CIF file Formula: - As2 O3 -
Comments: Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm 23(3) (2021) 638-644
Space group: P 1 21/n 1
Cell volume: 227.85
Cell parameters: 4.7015; 11.7503; 4.1387; 90; 94.764; 90;  

COD ID: 7241835
CIF file Formula: - As2 O3 -
Comments: Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm 23(3) (2021) 638-644
Space group: P 1 21/n 1
Cell volume: 253.15
Cell parameters: 4.8883; 12.1119; 4.28963; 90; 94.6135; 90;  

COD ID: 7241836
CIF file Formula: - As2 O3 -
Comments: Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm 23(3) (2021) 638-644
Space group: P 1 21/n 1
Cell volume: 291.49
Cell parameters: 5.1811; 12.63631; 4.46609; 90; 94.516; 90;  

COD ID: 7241837
CIF file Formula: - As2 O3 -
Comments: Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm 23(3) (2021) 638-644
Space group: P 1 21/n 1
Cell volume: 209.36
Cell parameters: 4.5713; 11.4696; 4.007; 90; 94.792; 90;  

COD ID: 7241838
CIF file Formula: - As2 O3 -
Comments: Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm 23(3) (2021) 638-644
Space group: P 1 21/n 1
Cell volume: 278.36
Cell parameters: 5.07859; 12.4595; 4.41318; 90; 94.5756; 90;  

COD ID: 7241839
CIF file Formula: - As2 O3 -
Comments: Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm 23(3) (2021) 638-644
Space group: P 1 21/n 1
Cell volume: 219.19
Cell parameters: 4.6442; 11.6134; 4.07822; 90; 94.7902; 90;  

COD ID: 7241840
CIF file Formula: - As2 O3 -
Comments: Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm 23(3) (2021) 638-644
Space group: P 1 21/n 1
Cell volume: 232.84
Cell parameters: 4.7371; 11.82822; 4.16968; 90; 94.711; 90;  

COD ID: 7241841
CIF file Formula: - As2 O3 -
Comments: Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm 23(3) (2021) 638-644
Space group: P 1 21/n 1
Cell volume: 214.34
Cell parameters: 4.6069; 11.5455; 4.04391; 90; 94.803; 90;  

COD ID: 7241842
CIF file Formula: - As2 O3 -
Comments: Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm 23(3) (2021) 638-644
Space group: P 1 21/n 1
Cell volume: 238.11
Cell parameters: 4.7786; 11.9057; 4.1994; 90; 94.695; 90;  

COD ID: 7241843
CIF file Formula: - As2 O3 -
Comments: Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm 23(3) (2021) 638-644
Space group: P 1 21/n 1
Cell volume: 280.997
Cell parameters: 5.09945; 12.4945; 4.42425; 90; 94.5655; 90;  

COD ID: 7241844
CIF file Formula: - As2 O3 -
Comments: Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm 23(3) (2021) 638-644
Space group: P 1 21/n 1
Cell volume: 243.01
Cell parameters: 4.8132; 11.9681; 4.23271; 90; 94.6883; 90;  

COD ID: 7241845
CIF file Formula: - As2 O3 -
Comments: Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm 23(3) (2021) 638-644
Space group: P 1 21/n 1
Cell volume: 304.1
Cell parameters: 5.269; 12.82716; 4.51254; 90; 94.364; 90;  

COD ID: 7241846
CIF file Formula: - As2 O3 -
Comments: Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm 23(3) (2021) 638-644
Space group: P 1 21/n 1
Cell volume: 256.47
Cell parameters: 4.9201; 12.15166; 4.3032; 90; 94.543; 90;  

COD ID: 7241847
CIF file Formula: - As2 O3 -
Comments: Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm 23(3) (2021) 638-644
Space group: P 1 21/n 1
Cell volume: 212.8
Cell parameters: 4.5965; 11.5222; 4.0319; 90; 94.769; 90;  

COD ID: 7241848
CIF file Formula: - As2 O3 -
Comments: Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm 23(3) (2021) 638-644
Space group: P 1 21/n 1
Cell volume: 233.14
Cell parameters: 4.7416; 11.8243; 4.17264; 90; 94.7608; 90;  

COD ID: 7241849
CIF file Formula: - As2 O3 -
Comments: Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm 23(3) (2021) 638-644
Space group: P 1 21/n 1
Cell volume: 209.84
Cell parameters: 4.5726; 11.4835; 4.0105; 90; 94.821; 90;  

COD ID: 7241850
CIF file Formula: - As2 O3 -
Comments: Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm 23(3) (2021) 638-644
Space group: P 1 21/n 1
Cell volume: 243.27
Cell parameters: 4.8178; 11.97404; 4.2306; 90; 94.607; 90;  

COD ID: 7241851
CIF file Formula: - As2 O3 -
Comments: Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm 23(3) (2021) 638-644
Space group: P 1 21/n 1
Cell volume: 222.61
Cell parameters: 4.6657; 11.67; 4.1027; 90; 94.7684; 90;  

COD ID: 7241852
CIF file Formula: - As2 O3 -
Comments: Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm 23(3) (2021) 638-644
Space group: P 1 21/n 1
Cell volume: 306.531
Cell parameters: 5.29402; 12.885; 4.50656; 90; 94.329; 90;  

COD ID: 7241853
CIF file Formula: - As2 O3 -
Comments: Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm 23(3) (2021) 638-644
Space group: P 1 21/n 1
Cell volume: 301.28
Cell parameters: 5.27066; 12.7806; 4.48685; 90; 94.579; 90;  

COD ID: 7241854
CIF file Formula: - As2 O3 -
Comments: Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm 23(3) (2021) 638-644
Space group: P 1 21/n 1
Cell volume: 299.328
Cell parameters: 5.26373; 12.7447; 4.47691; 90; 94.687; 90;  

COD ID: 7241855
CIF file Formula: - As2 O3 -
Comments: Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm 23(3) (2021) 638-644
Space group: P 1 21/n 1
Cell volume: 305.283
Cell parameters: 5.29025; 12.8566; 4.502; 90; 94.44; 90;  

COD ID: 7241856
CIF file Formula: - As2 O3 -
Comments: Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm 23(3) (2021) 638-644
Space group: P 1 21/n 1
Cell volume: 304.46
Cell parameters: 5.28841; 12.8335; 4.50014; 90; 94.541; 90;  

COD ID: 7241857
CIF file Formula: - As2 O3 -
Comments: Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm 23(3) (2021) 638-644
Space group: P 1 21/n 1
Cell volume: 300.251
Cell parameters: 5.26753; 12.7667; 4.48007; 90; 94.738; 90;  

COD ID: 7241858
CIF file Formula: - As2 O3 -
Comments: Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm 23(3) (2021) 638-644
Space group: P 1 21/n 1
Cell volume: 306.251
Cell parameters: 5.29393; 12.8775; 4.50545; 90; 94.381; 90;  

COD ID: 7241859
CIF file Formula: - As2 O3 -
Comments: Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm 23(3) (2021) 638-644
Space group: P 1 21/n 1
Cell volume: 300.465
Cell parameters: 5.27158; 12.7597; 4.48224; 90; 94.731; 90;  

COD ID: 7241860
CIF file Formula: - As2 O3 -
Comments: Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm 23(3) (2021) 638-644
Space group: P 1 21/n 1
Cell volume: 305.205
Cell parameters: 5.2915; 12.8527; 4.50173; 90; 94.533; 90;  

COD ID: 7241861
CIF file Formula: - As2 O3 -
Comments: Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm 23(3) (2021) 638-644
Space group: P 1 21/n 1
Cell volume: 303.421
Cell parameters: 5.28379; 12.8173; 4.49485; 90; 94.618; 90;  

COD ID: 7241862
CIF file Formula: - As2 O3 -
Comments: Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm 23(3) (2021) 638-644
Space group: P 1 21/n 1
Cell volume: 298.487
Cell parameters: 5.2635; 12.732; 4.46891; 90; 94.675; 90;  

COD ID: 7241863
CIF file Formula: - C54 H38 Cl4 Eu2 N16 O12 -
Comments: Dong, Lu; Lu, Ying-Bing; Zhu, Shui-Dong; Wu, Jun-Wei; Zhang, Xin-Ting; Liao, Yi; Liu, Cai-Ming; Liu, Sui-Jun; Xie, Yong-Rong; Zhang, Shi-Yong A new family of dinuclear lanthanide complexes exhibiting luminescence, magnetic entropy changes and single molecule magnet behaviors CrystEngComm 23(3) (2021) 645-652
Space group: P 1 21/n 1
Cell volume: 3051.58
Cell parameters: 12.0689; 11.6727; 21.7296; 90; 94.542; 90;  

COD ID: 7241864
CIF file Formula: - C54 H38 Cl4 Gd2 N16 O12 -
Comments: Dong, Lu; Lu, Ying-Bing; Zhu, Shui-Dong; Wu, Jun-Wei; Zhang, Xin-Ting; Liao, Yi; Liu, Cai-Ming; Liu, Sui-Jun; Xie, Yong-Rong; Zhang, Shi-Yong A new family of dinuclear lanthanide complexes exhibiting luminescence, magnetic entropy changes and single molecule magnet behaviors CrystEngComm 23(3) (2021) 645-652
Space group: P 1 21/n 1
Cell volume: 3036.89
Cell parameters: 12.0381; 11.6511; 21.7206; 90; 94.5441; 90;  

COD ID: 7241865
CIF file Formula: - C54 H38 Cl4 Dy2 N16 O12 -
Comments: Dong, Lu; Lu, Ying-Bing; Zhu, Shui-Dong; Wu, Jun-Wei; Zhang, Xin-Ting; Liao, Yi; Liu, Cai-Ming; Liu, Sui-Jun; Xie, Yong-Rong; Zhang, Shi-Yong A new family of dinuclear lanthanide complexes exhibiting luminescence, magnetic entropy changes and single molecule magnet behaviors CrystEngComm 23(3) (2021) 645-652
Space group: P 1 21/c 1
Cell volume: 3032.8
Cell parameters: 12.0165; 11.6234; 24.035; 90; 115.388; 90;  

COD ID: 7241866
CIF file Formula: - C54 H38 Cl4 N16 O12 Tb2 -
Comments: Dong, Lu; Lu, Ying-Bing; Zhu, Shui-Dong; Wu, Jun-Wei; Zhang, Xin-Ting; Liao, Yi; Liu, Cai-Ming; Liu, Sui-Jun; Xie, Yong-Rong; Zhang, Shi-Yong A new family of dinuclear lanthanide complexes exhibiting luminescence, magnetic entropy changes and single molecule magnet behaviors CrystEngComm 23(3) (2021) 645-652
Space group: P 1 21/n 1
Cell volume: 3033.47
Cell parameters: 12.0288; 11.6329; 21.7452; 90; 94.488; 90;  

COD ID: 7241867
CIF file Formula: - C34 H18 Br2 N2 O10 Ru3 -
Comments: Min, Xue; Tian, Hong-rui; Li, Ming; Tian, Di Fabrication of new structures from a 3D cobalt phosphonate network: structural transformation and proton conductivity investigation CrystEngComm 23(4) (2021) 876-883
Space group: P -1
Cell volume: 1762.1
Cell parameters: 9.9227; 12.457; 16.0614; 80.584; 74.32; 67.518;  

COD ID: 7241868
CIF file Formula: - C36 H24 N2 O12 Ru3 -
Comments: Min, Xue; Tian, Hong-rui; Li, Ming; Tian, Di Fabrication of new structures from a 3D cobalt phosphonate network: structural transformation and proton conductivity investigation CrystEngComm 23(4) (2021) 876-883
Space group: P -1
Cell volume: 1945.3
Cell parameters: 11.4233; 12.1695; 15.1533; 70.483; 87.865; 78.592;  

COD ID: 7241869
CIF file Formula: - C32 H16 Br4 N2 O10 Ru3 -
Comments: Min, Xue; Tian, Hong-rui; Li, Ming; Tian, Di Fabrication of new structures from a 3D cobalt phosphonate network: structural transformation and proton conductivity investigation CrystEngComm 23(4) (2021) 876-883
Space group: C 1 2/c 1
Cell volume: 3720.7
Cell parameters: 11.695; 16.4637; 19.9029; 90; 103.851; 90;  

COD ID: 7241870
CIF file Formula: - H10 Ni O15 S1.38 Se0.62 U -
Comments: Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V. Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture CrystEngComm 23(5) (2021) 1140-1148
Space group: P m n 21
Cell volume: 1209.68
Cell parameters: 12.8182; 8.2926; 11.3803; 90; 90; 90;  

COD ID: 7241871
CIF file Formula: - H10 Ni O15 S0.77 Se1.23 U -
Comments: Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V. Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture CrystEngComm 23(5) (2021) 1140-1148
Space group: P 1 21/c 1
Cell volume: 1242.58
Cell parameters: 8.3598; 11.4808; 12.9631; 90; 92.894; 90;  

COD ID: 7241872
CIF file Formula: - H10 Ni O15 S0.61 Se1.39 U -
Comments: Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V. Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture CrystEngComm 23(5) (2021) 1140-1148
Space group: P 1 21/c 1
Cell volume: 1239.79
Cell parameters: 8.3534; 11.4839; 12.9409; 90; 92.931; 90;  

COD ID: 7241873
CIF file Formula: - H10 Ni O15 S0.43 Se1.57 U -
Comments: Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V. Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture CrystEngComm 23(5) (2021) 1140-1148
Space group: P 1 21/c 1
Cell volume: 1257.01
Cell parameters: 8.3752; 11.533; 13.0328; 90; 93.103; 90;  

COD ID: 7241874
CIF file Formula: - H10 Ni O15 S2 U -
Comments: Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V. Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture CrystEngComm 23(5) (2021) 1140-1148
Space group: P m n 21
Cell volume: 1196.5
Cell parameters: 12.7506; 8.3095; 11.2929; 90; 90; 90;  

COD ID: 7241875
CIF file Formula: - H10 Ni O15 S1.2 Se0.8 U -
Comments: Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V. Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture CrystEngComm 23(5) (2021) 1140-1148
Space group: P m n 21
Cell volume: 1209.48
Cell parameters: 12.8291; 8.2825; 11.3826; 90; 90; 90;  

COD ID: 7241876
CIF file Formula: - H10 Ni O15 S0.96 Se1.04 U -
Comments: Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V. Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture CrystEngComm 23(5) (2021) 1140-1148
Space group: P 1 21/c 1
Cell volume: 1222.92
Cell parameters: 8.3202; 11.4227; 12.882; 90; 92.718; 90;  

COD ID: 7241877
CIF file Formula: - H10 Mn O15 S2 U -
Comments: Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V. Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture CrystEngComm 23(5) (2021) 1140-1148
Space group: P 1 21 1
Cell volume: 618.38
Cell parameters: 6.5114; 11.3829; 8.3439; 90; 90.773; 90;  

COD ID: 7241878
CIF file Formula: - H10 Ni O15 S0.22 Se1.78 U -
Comments: Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V. Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture CrystEngComm 23(5) (2021) 1140-1148
Space group: P 1 21/c 1
Cell volume: 1265.99
Cell parameters: 8.3902; 11.5601; 13.0744; 90; 93.309; 90;  

COD ID: 7241879
CIF file Formula: - H10 Ni O15 S1.85 Se0.15 U -
Comments: Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V. Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture CrystEngComm 23(5) (2021) 1140-1148
Space group: P m n 21
Cell volume: 1196.69
Cell parameters: 12.7808; 8.2806; 11.3074; 90; 90; 90;  

COD ID: 7241880
CIF file Formula: - H10 Ni O15 Se2 U -
Comments: Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V. Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture CrystEngComm 23(5) (2021) 1140-1148
Space group: P 1 21/c 1
Cell volume: 1270.91
Cell parameters: 8.3912; 11.5652; 13.1209; 90; 93.533; 90;  

COD ID: 7241881
CIF file Formula: - Co H10 O15 S2 U -
Comments: Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V. Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture CrystEngComm 23(5) (2021) 1140-1148
Space group: P m n 21
Cell volume: 1210.13
Cell parameters: 12.916; 8.296; 11.2937; 90; 90; 90;  

COD ID: 7241882
CIF file Formula: - H10 Ni O15 S1.64 Se0.35 U -
Comments: Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V. Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture CrystEngComm 23(5) (2021) 1140-1148
Space group: P m n 21
Cell volume: 1197.29
Cell parameters: 12.783; 8.2863; 11.3033; 90; 90; 90;  

COD ID: 7241883
CIF file Formula: - H10 O15 S2 U Zn -
Comments: Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V. Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture CrystEngComm 23(5) (2021) 1140-1148
Space group: P m n 21
Cell volume: 1203.57
Cell parameters: 12.8695; 8.28206; 11.292; 90; 90; 90;  

COD ID: 7241902
CIF file Formula: - C13 Fe2 N10 O -
Comments: Pérez, Hiram; Di Santo, Alejandro; Piro, Oscar E.; Echeverría, Gustavo A.; Cano, A.; González, M.; Rodríguez-Hernández, J.; Ben Altabef, A.; Frontera, Antonio; Gil, Diego M. A first exploration of isostructurality in transition metal nitroprussides: X-ray analysis, magnetic properties and DFT calculations CrystEngComm 23(5) (2021) 1158-1171
Space group: P 1 21/c 1
Cell volume: 1779.9
Cell parameters: 8.386; 14.787; 14.458; 90; 96.9; 90;  

COD ID: 7241903
CIF file Formula: - C21 H24 Cu Fe N14 O -
Comments: Pérez, Hiram; Di Santo, Alejandro; Piro, Oscar E.; Echeverría, Gustavo A.; Cano, A.; González, M.; Rodríguez-Hernández, J.; Ben Altabef, A.; Frontera, Antonio; Gil, Diego M. A first exploration of isostructurality in transition metal nitroprussides: X-ray analysis, magnetic properties and DFT calculations CrystEngComm 23(5) (2021) 1158-1171
Space group: P -1
Cell volume: 1384.29
Cell parameters: 9.167; 10.2296; 15.6179; 73.752; 80.35; 84.476;  

COD ID: 7241904
CIF file Formula: - C13 H12 Fe N10 O Zn -
Comments: Pérez, Hiram; Di Santo, Alejandro; Piro, Oscar E.; Echeverría, Gustavo A.; Cano, A.; González, M.; Rodríguez-Hernández, J.; Ben Altabef, A.; Frontera, Antonio; Gil, Diego M. A first exploration of isostructurality in transition metal nitroprussides: X-ray analysis, magnetic properties and DFT calculations CrystEngComm 23(5) (2021) 1158-1171
Space group: P b c a
Cell volume: 3562.1
Cell parameters: 14.8493; 14.498; 16.5461; 90; 90; 90;  

COD ID: 7241905
CIF file Formula: - C13 H12 Fe Mn N10 O -
Comments: Pérez, Hiram; Di Santo, Alejandro; Piro, Oscar E.; Echeverría, Gustavo A.; Cano, A.; González, M.; Rodríguez-Hernández, J.; Ben Altabef, A.; Frontera, Antonio; Gil, Diego M. A first exploration of isostructurality in transition metal nitroprussides: X-ray analysis, magnetic properties and DFT calculations CrystEngComm 23(5) (2021) 1158-1171
Space group: P 1 21/c 1
Cell volume: 1828.2
Cell parameters: 8.4311; 14.9364; 14.6337; 90; 97.228; 90;  

COD ID: 7241906
CIF file Formula: - C13 H12 Cd Fe N10 O -
Comments: Pérez, Hiram; Di Santo, Alejandro; Piro, Oscar E.; Echeverría, Gustavo A.; Cano, A.; González, M.; Rodríguez-Hernández, J.; Ben Altabef, A.; Frontera, Antonio; Gil, Diego M. A first exploration of isostructurality in transition metal nitroprussides: X-ray analysis, magnetic properties and DFT calculations CrystEngComm 23(5) (2021) 1158-1171
Space group: P 1 21/c 1
Cell volume: 1884.88
Cell parameters: 8.4002; 15.2133; 14.896; 90; 98.048; 90;  

COD ID: 7241907
CIF file Formula: - C5 H12 Cl N O -
Comments: Socha, Paweł; Prus, Bernadeta; Dobrzycki, Łukasz; Boese, Roland; Cyrański, Michał K. Intermolecular interactions in hydrates of 4-methylpiperidine and 4-chloropiperidine ‒ a structural and computational study CrystEngComm 23(5) (2021) 1251-1262
Space group: P 1 21/c 1
Cell volume: 694.96
Cell parameters: 5.2628; 25.4439; 5.2264; 90; 96.777; 90;  


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All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License . Users of the data should acknowledge the original authors of the structural data.