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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
7242729	CIF	C62 H46 N10 O14 Zn2	P -1	8.9539; 11.8195; 15.091 68.416; 87.073; 72.227	1410.8	Qi, Lei; Wang, Mei; Li, Xinheng Graphene-induced growth of Co3O4 nanoplates with modulable oxygen vacancies for improved OER properties CrystEngComm, 2021, 23, 7928-7931
7242730	CIF	C51 H35 Cd2 N5 O13	P -1	10.5809; 14.2423; 15.2337 96.467; 94.236; 96.373	2258.27	Qi, Lei; Wang, Mei; Li, Xinheng Graphene-induced growth of Co3O4 nanoplates with modulable oxygen vacancies for improved OER properties CrystEngComm, 2021, 23, 7928-7931
7242731	CIF	C62 H46 N10 O14 Zn2	P -1	8.9539; 11.8195; 15.091 68.416; 87.073; 72.227	1410.8	Gong, Qin; Wang, Jun; Shi, Chuncheng; Liu, Qiang-Qiang; Lu, Lu; Singh, Amita; Kumar, Abhinav 1,3-Bis(4′-carboxylatophenoxy)benzene and 3,5-bis(1-imidazoly)pyridine derived Zn(ii)/Cd(ii) coordination polymers: synthesis, structure and photocatalytic properties CrystEngComm, 2021, 23, 3981-3988
7242732	CIF	C51 H35 Cd2 N5 O13	P -1	10.5809; 14.2423; 15.2337 96.467; 94.236; 96.373	2258.27	Gong, Qin; Wang, Jun; Shi, Chuncheng; Liu, Qiang-Qiang; Lu, Lu; Singh, Amita; Kumar, Abhinav 1,3-Bis(4′-carboxylatophenoxy)benzene and 3,5-bis(1-imidazoly)pyridine derived Zn(ii)/Cd(ii) coordination polymers: synthesis, structure and photocatalytic properties CrystEngComm, 2021, 23, 3981-3988
7242733	CIF	C33 H31 Cl2 O2 P2 Ru S	P -1	9.718; 10.552; 17.4 88.5; 82.77; 64.17	1592	Mukherjee, Aparajita; Bhattacharya, Samaresh Dual utility of a single diphosphine‒ruthenium complex: a precursor for new complexes and, a pre-catalyst for transfer-hydrogenation and Oppenauer oxidation RSC Advances, 2021, 11, 15617-15631
7242734	CIF	C46 H34 N4 O2 P2 Ru	P 1 21/n 1	11.5311; 21.0156; 16.2155 90; 94.246; 90	3918.8	Mukherjee, Aparajita; Bhattacharya, Samaresh Dual utility of a single diphosphine‒ruthenium complex: a precursor for new complexes and, a pre-catalyst for transfer-hydrogenation and Oppenauer oxidation RSC Advances, 2021, 11, 15617-15631
7242735	CIF	C60 H48 Cl2 O0 P4 Ru	P -1	10.5247; 11.621; 12.8705 86.888; 77.258; 80.961	1516.01	Mukherjee, Aparajita; Bhattacharya, Samaresh Dual utility of a single diphosphine‒ruthenium complex: a precursor for new complexes and, a pre-catalyst for transfer-hydrogenation and Oppenauer oxidation RSC Advances, 2021, 11, 15617-15631
7242736	CIF	C49 H40 N2 O4 P2 Ru	P -1	10.0627; 10.8128; 20.1657 76.224; 79.05; 84.212	2088.67	Mukherjee, Aparajita; Bhattacharya, Samaresh Dual utility of a single diphosphine–ruthenium complex: a precursor for new complexes and, a pre-catalyst for transfer-hydrogenation and Oppenauer oxidation RSC Advances, 2021, 11, 15617-15631
7242737	CIF	C16 H29 N O7	P 21 21 21	8.902; 9.3994; 21.8511 90; 90; 90	1828.36	Weber, Patrick; Fischer, Roland; Nasseri, Seyed A.; Stütz, Arnold E.; Thonhofer, Martin; Withers, Stephen G.; Wolfsgruber, Andreas; Wrodnigg, Tanja M. New α-galactosidase-inhibiting aminohydroxycyclopentanes RSC Advances, 2021, 11, 15943-15951
7242738	CIF	C28 H23 Br N2 O	P -1	8.8147; 9.9723; 14.514 71.84; 74.029; 82.625	1164.21	Aksenov, Nicolai A.; Aksenov, Dmitrii A.; Kurenkov, Igor A.; Aksenov, Alexander V.; Skomorokhov, Anton A.; Prityko, Lidiya A.; Rubin, Michael Preparation of 3,5-diarylsubstituted 5-hydroxy-1,5-dihydro-2H-pyrrol-2-ones via base-assisted cyclization of 3-cyanoketones RSC Advances, 2021, 11, 16236-16245
7242739	CIF	C17 H15 N O3	P 1 21/c 1	10.8934; 6.1836; 20.9171 90; 100.573; 90	1385.06	Aksenov, Nicolai A.; Aksenov, Dmitrii A.; Kurenkov, Igor A.; Aksenov, Alexander V.; Skomorokhov, Anton A.; Prityko, Lidiya A.; Rubin, Michael Preparation of 3,5-diarylsubstituted 5-hydroxy-1,5-dihydro-2H-pyrrol-2-ones via base-assisted cyclization of 3-cyanoketones RSC Advances, 2021, 11, 16236-16245
7242740	CIF	C33 H31 B K N9	P -3	15.2163; 15.2163; 8.191 90; 90; 120	1642.43	Thomas, Jarrod R.; Sulway, Scott A. In situ tracking and characterisation of scorpionate ligands via11B-NMR spectroscopy RSC Advances, 2021, 11, 16158-16160
7242741	CIF	C10 H11 Dy O8	P 1 21/c 1	7.1516; 15.1815; 10.5616 90; 90.44; 90	1146.66	Sen, Rupam; Paul, Sanchayeeta; Sarkar, Alolika; Botas, Alexandre M. P.; Carneiro Neto, Albano N.; Brandão, Paula; Lopes, Armandina M. L.; Ferreira, Rute A. S.; Araújo, João P.; Lin, Zhi A new series of 3D lanthanide phenoxycarboxylates: synthesis, crystal structure, magnetism and photoluminescence studies CrystEngComm, 2021, 23, 4143-4151
7242742	CIF	C10 H11 O8 Tb	P 1 21/c 1	7.1288; 15.1653; 10.5514 90; 90.462; 90	1140.68	Sen, Rupam; Paul, Sanchayeeta; Sarkar, Alolika; Botas, Alexandre M. P.; Carneiro Neto, Albano N.; Brandão, Paula; Lopes, Armandina M. L.; Ferreira, Rute A. S.; Araújo, João P.; Lin, Zhi A new series of 3D lanthanide phenoxycarboxylates: synthesis, crystal structure, magnetism and photoluminescence studies CrystEngComm, 2021, 23, 4143-4151
7242743	CIF	C10 H11 La O8	P 1 21/c 1	7.0577; 15.098; 10.5128 90; 90.412; 90	1120.19	Sen, Rupam; Paul, Sanchayeeta; Sarkar, Alolika; Botas, Alexandre M. P.; Carneiro Neto, Albano N.; Brandão, Paula; Lopes, Armandina M. L.; Ferreira, Rute A. S.; Araújo, João P.; Lin, Zhi A new series of 3D lanthanide phenoxycarboxylates: synthesis, crystal structure, magnetism and photoluminescence studies CrystEngComm, 2021, 23, 4143-4151
7242744	CIF	C32 H40 N16 Ni2 O36 P0 S4 W10	P 1 21/c 1	11.3341; 21.413; 14.0095 90; 108.101; 90	3231.8	Xing, Cuili; Ma, Pengtao; Zhao, Meng; Chang, Jiangnan; Guo, Xiaoyuan; Sun, Lin; Li, Mingxue Facile and green synthesis of decatungstate-based nickel(ii) complex coated onto modified Fe3O4 nanoparticles with enhanced antimicrobial activity against antibiotic-resistant bacteria CrystEngComm, 2021, 23, 3919-3928
7242745	CIF	C21 H18 N2 O6 Zn	P b c a	12.1026; 16.5399; 19.7752 90; 90; 90	3958.5	Wang, San-Tai; Zheng, Xiao; Zhang, Shu-Hua; Li, Guangzhao; Xiao, Yu A study of GUPT-2, a water-stable zinc-based metal‒organic framework as a highly selective and sensitive fluorescent sensor in the detection of Al3+ and Fe3+ ions CrystEngComm, 2021, 23, 4059-4068
7242746	CIF	C47 H41 N3 O2	C 1 c 1	31.5211; 14.7867; 33.4555 90; 112.551; 90	14401.1	Imrie, Corrie T.; Strachan, Grant James; Harrison, William T.; Storey, John M. D. Understanding the remarkable difference in liquid crystal behaviour between secondary and tertiary amides: the synthesis and characterisation of new benzanilide-based liquid crystal dimers. Physical Chemistry Chemical Physics, 2021
7242747	CIF	C51 H49 N3 O2	P 1 n 1	21.61054; 13.8187; 28.98487 90; 110.27; 90	8119.7	Imrie, Corrie T.; Strachan, Grant James; Harrison, William T.; Storey, John M. D. Understanding the remarkable difference in liquid crystal behaviour between secondary and tertiary amides: the synthesis and characterisation of new benzanilide-based liquid crystal dimers. Physical Chemistry Chemical Physics, 2021
7242748	CIF	C14 H18 Cl Co N4 O5	P 1 21/n 1	7.8928; 19.9184; 10.8042 90; 106.081; 90	1632.1	Ruiz, Andrés Castro; Damodaran, Krishna K.; Suman, Sigridur G. Towards a selective synthetic route for cobalt amino acid complexes and their application in ring opening polymerization of rac-lactide RSC Advances, 2021, 11, 16326-16338
7242749	CIF	C14 H16 Co N5 O7	P 21 21 21	10.4922; 10.59; 15.1072 90; 90; 90	1678.6	Ruiz, Andrés Castro; Damodaran, Krishna K.; Suman, Sigridur G. Towards a selective synthetic route for cobalt amino acid complexes and their application in ring opening polymerization of rac-lactide RSC Advances, 2021, 11, 16326-16338
7242750	CIF	C23 H33.5 Cl Co N4.5 O4	C 1 2 1	21.1914; 24.4687; 11.0348 90; 93.193; 90	5712.9	Ruiz, Andrés Castro; Damodaran, Krishna K.; Suman, Sigridur G. Towards a selective synthetic route for cobalt amino acid complexes and their application in ring opening polymerization of rac-lactide RSC Advances, 2021, 11, 16326-16338
7242751	CIF	C28 H56 Cl4 Co3 N8 O20	P -1	8.2215; 10.3798; 14.8086 72.939; 75.785; 89.555	1168.3	Ruiz, Andrés Castro; Damodaran, Krishna K.; Suman, Sigridur G. Towards a selective synthetic route for cobalt amino acid complexes and their application in ring opening polymerization of rac-lactide RSC Advances, 2021, 11, 16326-16338
7242752	CIF	C20 H16 Cl2 Co N4	P 1 21/c 1	8.3937; 14.4906; 15.5726 90; 97.479; 90	1878	Ruiz, Andrés Castro; Damodaran, Krishna K.; Suman, Sigridur G. Towards a selective synthetic route for cobalt amino acid complexes and their application in ring opening polymerization of rac-lactide RSC Advances, 2021, 11, 16326-16338
7242753	CIF	C22 H32 Cl Co N4 O4	P -1	14.3084; 15.7813; 19.9421 71.816; 77.578; 64.57	3846.3	Ruiz, Andrés Castro; Damodaran, Krishna K.; Suman, Sigridur G. Towards a selective synthetic route for cobalt amino acid complexes and their application in ring opening polymerization of rac-lactide RSC Advances, 2021, 11, 16326-16338
7242754	CIF	C14 H16 Co F6 N4 O4 P	P b c a	21.034; 8.2876; 25.1217 90; 90; 90	4379.2	Ruiz, Andrés Castro; Damodaran, Krishna K.; Suman, Sigridur G. Towards a selective synthetic route for cobalt amino acid complexes and their application in ring opening polymerization of rac-lactide RSC Advances, 2021, 11, 16326-16338
7242755	CIF	C37 H43 N7 O18	P 32 2 1	13.033; 13.033; 44.95 90; 90; 120	6612	O'Reilly, Ciaran; Blasco, Salvador; Parekh, Bina; Collins, Helen; Cooke, Gordon; Gunnlaugsson, Thorfinnur; Byrne, Joseph P. Ruthenium-centred btp glycoclusters as inhibitors for Pseudomonas aeruginosa biofilm formation RSC Advances, 2021, 11, 16318-16325
7242756	CIF	C18 H0.25 Cl N2 O5 Zn	P 1 21/c 1	15.5044; 7.5706; 17.2282 90; 110.423; 90	1895.1	Liu, Qing; Liu, Lu; Yu, Cao-Ming; Li, Pei-Xin; Guo, Guo-Cong Two viologen-based photoluminescent compounds: excitation-wavelength-dependent and photoirradiation-time-dependent photoluminescent switches CrystEngComm, 2021, 23, 3856-3860
7242757	CIF	C18 H13 Cd Cl N2 O3.75	P 1 21/c 1	15.4911; 7.5672; 17.2289 90; 110.483; 90	1891.95	Liu, Qing; Liu, Lu; Yu, Cao-Ming; Li, Pei-Xin; Guo, Guo-Cong Two viologen-based photoluminescent compounds: excitation-wavelength-dependent and photoirradiation-time-dependent photoluminescent switches CrystEngComm, 2021, 23, 3856-3860
7242758	CIF	C11 H7 Cd N O5 S	P 1 21/n 1	3.8289; 17.8979; 16.8534 90; 92.005; 90	1154.2	Majee, Prakash; Singha, Debal Kanti; Daga, Pooja; Hui, Sayani; Mahata, Partha; Mondal, Sudip Kumar Photophysical studies of a room temperature phosphorescent Cd(ii) based MOF and its application towards ratiometric detection of Hg2+ ions in water CrystEngComm, 2021, 23, 4160-4168
7242759	CIF	C14 H8 O2	P 1 21/c 1	7.878; 3.9147; 15.6886 90; 102.569; 90	472.24	Rather, Sumair A.; Saha, Binoy K. Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study CrystEngComm, 2021, 23, 5768-5773
7242760	CIF	C14 H8 O2	P 1 21/c 1	7.8729; 3.9195; 15.7126 90; 102.604; 90	473.17	Rather, Sumair A.; Saha, Binoy K. Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study CrystEngComm, 2021, 23, 5768-5773
7242761	CIF	C14 H8 O2	P 1 21/c 1	7.8702; 3.9302; 15.732 90; 102.573; 90	474.94	Rather, Sumair A.; Saha, Binoy K. Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study CrystEngComm, 2021, 23, 5768-5773
7242762	CIF	C14 H8 O2	P 1 21/c 1	7.8864; 3.9488; 15.774 90; 102.624; 90	479.36	Rather, Sumair A.; Saha, Binoy K. Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study CrystEngComm, 2021, 23, 5768-5773
7242763	CIF	C14 H8 O2	P 1 21/c 1	7.8846; 3.9372; 15.754 90; 102.594; 90	477.29	Rather, Sumair A.; Saha, Binoy K. Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study CrystEngComm, 2021, 23, 5768-5773
7242764	CIF	C14 H8 O2	P 1 21/c 1	7.8876; 3.9434; 15.7578 90; 102.624; 90	478.28	Rather, Sumair A.; Saha, Binoy K. Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study CrystEngComm, 2021, 23, 5768-5773
7242765	CIF	C14 H8 O2	P 1 21/c 1	7.8728; 3.9608; 15.7845 90; 102.664; 90	480.23	Rather, Sumair A.; Saha, Binoy K. Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study CrystEngComm, 2021, 23, 5768-5773
7242766	CIF	C14 H8 O2	P 1 21/c 1	7.8662; 3.966; 15.7823 90; 102.696; 90	480.33	Rather, Sumair A.; Saha, Binoy K. Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study CrystEngComm, 2021, 23, 5768-5773
7242767	CIF	C14 H8 O2	P 1 21/c 1	7.8758; 3.9534; 15.7573 90; 102.653; 90	478.71	Rather, Sumair A.; Saha, Binoy K. Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study CrystEngComm, 2021, 23, 5768-5773
7242768	CIF	C14 H8 O2	P 1 21/c 1	7.8868; 3.9718; 15.822 90; 102.719; 90	483.46	Rather, Sumair A.; Saha, Binoy K. Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study CrystEngComm, 2021, 23, 5768-5773
7242769	CIF	C32 H54 O4 Rh2 S2	P b c a	19.7195; 8.9435; 37.5526 90; 90; 90	6622.8	Nakai, Hidetaka; Kajiwara, Yuu; Miyata, Seiya Molecular motion in organometallic crystals: photoinduced 2π/5 rotation of n-hexyltetramethylcyclopentadienyl ligand CrystEngComm, 2021, 23, 3790-3793
7242770	CIF	C32 H54 O4 Rh2 S2	P b c a	19.7647; 8.9121; 38.0935 90; 90; 90	6710	Nakai, Hidetaka; Kajiwara, Yuu; Miyata, Seiya Molecular motion in organometallic crystals: photoinduced 2π/5 rotation of n-hexyltetramethylcyclopentadienyl ligand CrystEngComm, 2021, 23, 3790-3793
7242771	CIF	C17 H12 F2 N2 O	P 21 21 21	3.8711; 11.149; 32.557 90; 90; 90	1405.1	Giri, Prasenjit; Mazumder, Abhrojyoti; Dey, Dibyendu; Garani, Souvik; Raveendran, Anju; Panda, Manas K. Light-fueled rapid macroscopic motion of a green fluorescent organic crystal CrystEngComm, 2021, 23, 5876-5881
7242772	CIF	C22 H26 N4 O6	P 1 21 1	8.34; 25.809; 10.622 90; 94.689; 90	2278.7	Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V. Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state CrystEngComm, 2021, 23, 4312-4319
7242773	CIF	C19 H20 N4 O4	P -1	9.2955; 9.6189; 11.1769 68.975; 70.514; 82.886	879.38	Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V. Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state CrystEngComm, 2021, 23, 4312-4319
7242774	CIF	C19 H22 N4 O3	P -1	9.4667; 9.5371; 10.9139 71.045; 72.014; 82.789	886.04	Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V. Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state CrystEngComm, 2021, 23, 4312-4319
7242775	CIF	C24 H30 N4 O5	P -1	10.8013; 14.882; 16.5499 100.215; 108.537; 109.034	2264.1	Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V. Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state CrystEngComm, 2021, 23, 4312-4319
7242776	CIF	C22 H26 N4 O5	P 21 21 21	10.866; 12.6977; 15.5356 90; 90; 90	2143.5	Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V. Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state CrystEngComm, 2021, 23, 4312-4319
7242777	CIF	C18 H18 N4 O2	P 1 21/c 1	15.1775; 11.3912; 9.0508 90; 99.279; 90	1544.3	Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V. Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state CrystEngComm, 2021, 23, 4312-4319
7242778	CIF	C21 H24 N4 O4	P 1 21/c 1	8.985; 23.1322; 9.9624 90; 109.782; 90	1948.42	Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V. Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state CrystEngComm, 2021, 23, 4312-4319
7242779	CIF	C20 H22 N4 O2	P 1 21/c 1	12.3392; 8.4864; 34.065 90; 99.814; 90	3514.9	Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V. Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state CrystEngComm, 2021, 23, 4312-4319
7242780	CIF	C24 H30 N4 O4	P -1	8.2337; 10.7773; 12.997 98.025; 97.959; 91.457	1129.8	Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V. Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state CrystEngComm, 2021, 23, 4312-4319
7242781	CIF	C21 H26 N4 O3	P 1 21/c 1	12.7245; 9.4309; 17.0038 90; 100.219; 90	2008.15	Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V. Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state CrystEngComm, 2021, 23, 4312-4319
7242782	CIF	C25 H27 N5 O2	P -1	13.2527; 13.5955; 14.5032 112.5; 98.1336; 104.91	2247.1	Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V. Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state CrystEngComm, 2021, 23, 4312-4319
7242783	CIF	C23 H28 N4 O3	P -1	8.0523; 10.7345; 13.0559 97.828; 97.868; 91.711	1106.1	Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V. Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state CrystEngComm, 2021, 23, 4312-4319
7242784	CIF	C24 H28 N4 O3	P 1 21/c 1	10.5144; 13.2689; 15.6124 90; 91.5967; 90	2177.3	Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V. Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state CrystEngComm, 2021, 23, 4312-4319
7242785	CIF	C22 H28 N4 O3	P -1	12.5231; 12.9844; 13.4742 103.876; 96.9424; 97.186	2084.3	Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V. Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state CrystEngComm, 2021, 23, 4312-4319
7242786	CIF	C22 H25 N5 O2	P 1 21/c 1	12.6677; 9.9394; 16.7019 90; 101.334; 90	2061.9	Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V. Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state CrystEngComm, 2021, 23, 4312-4319
7242787	CIF	C22 H26 N4 O4	P 1 21/c 1	14.6755; 17.8903; 16.1564 90; 91.586; 90	4240.2	Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V. Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state CrystEngComm, 2021, 23, 4312-4319
7242788	CIF	C36 H36 N8 O10	C 1 2/c 1	12.8477; 10.4635; 26.812 90; 93.96; 90	3595.8	Liu, Jian-Jun; Xia, Shu-Biao; Liu, Teng; Liu, Jia-Ming; Cheng, Fei-Xiang A two-component molecular hybrid with enhanced emission characteristics and mechanoresponsive luminescence properties CrystEngComm, 2021, 23, 4320-4326
7242789	CIF	C40 H30 N6 O8	P 1 21/c 1	6.428; 10.302; 25.248 90; 89.053; 90	1672	Liu, Jian-Jun; Xia, Shu-Biao; Liu, Teng; Liu, Jia-Ming; Cheng, Fei-Xiang A two-component molecular hybrid with enhanced emission characteristics and mechanoresponsive luminescence properties CrystEngComm, 2021, 23, 4320-4326
7242790	CIF	C74 H154 Mo12 N8 O36	P -1	11.5075; 12.0506; 19.3113 76.208; 84.833; 85.902	2586.7	Al-Yasari, Ahmed; El Moll, Hani; Purdy, Ryan; Vincent, Kevin B.; Spence, Philip; Malval, Jean-Pierre; Fielden, John Optical, Third Order Non-Linear Optical and Electrochemical Properties of Dipolar, Centrosymmetric and C2v Organoimido Polyoxometalate Derivatives Physical Chemistry Chemical Physics, 2021
7242791	CIF	C60 H112 Co14 N24 Na2 O48 S12	P -1	10.6166; 13.9034; 19.5343 94.873; 102.529; 92.85	2797.67	Iman, Khushboo; Ahamad, M. Naqi; Monika,; Ansari, Azaj; Saleh, Hatem A. M.; Khan, M. Shahnawaz; Ahmad, Musheer; Haque, Rosenani A.; Shahid, M. How to identify a smoker: a salient crystallographic approach to detect thiocyanate content RSC Advances, 2021, 11, 16881-16891
7242792	CIF	C76 H128 Co14 N24 O37 S12	P -1	12.3559; 12.4348; 20.8341 82.586; 81.206; 68.792	2939.7	Iman, Khushboo; Ahamad, M. Naqi; Monika,; Ansari, Azaj; Saleh, Hatem A. M.; Khan, M. Shahnawaz; Ahmad, Musheer; Haque, Rosenani A.; Shahid, M. How to identify a smoker: a salient crystallographic approach to detect thiocyanate content RSC Advances, 2021, 11, 16881-16891
7242793	CIF	C29 H48 Co7 N10 O20 S5	P 1 21/n 1	10.4453; 22.5325; 22.4558 90; 91.003; 90	5284.4	Iman, Khushboo; Ahamad, M. Naqi; Monika,; Ansari, Azaj; Saleh, Hatem A. M.; Khan, M. Shahnawaz; Ahmad, Musheer; Haque, Rosenani A.; Shahid, M. How to identify a smoker: a salient crystallographic approach to detect thiocyanate content RSC Advances, 2021, 11, 16881-16891
7242794	CIF	C44 H29 N4 O4 Zn	P 1 2/c 1	14.366; 24.779; 11.2288 90; 90.011; 90	3997.2	Ni, Jian-Ling; Liang, Yu; Shao, Juan-Juan; Li, Jun-Feng; Zhou, Ze-Yu; Wang, Fang-Ming; Chen, Li-Zhuang Selective fluorescent sensing of LMOFs constructed from tri(4-pyridylphenyl)amine ligand RSC Advances, 2021, 11, 16989-16995
7242795	CIF	C47 H32 Cd N4 O5	P 1 21/c 1	11.885; 32.905; 10.927 90; 98.71; 90	4224	Ni, Jian-Ling; Liang, Yu; Shao, Juan-Juan; Li, Jun-Feng; Zhou, Ze-Yu; Wang, Fang-Ming; Chen, Li-Zhuang Selective fluorescent sensing of LMOFs constructed from tri(4-pyridylphenyl)amine ligand RSC Advances, 2021, 11, 16989-16995
7242796	CIF	C61 H40 N4 O8 Zn2	P 1 21/c 1	8.04; 27.239; 25.707 90; 97.818; 90	5578	Ni, Jian-Ling; Liang, Yu; Shao, Juan-Juan; Li, Jun-Feng; Zhou, Ze-Yu; Wang, Fang-Ming; Chen, Li-Zhuang Selective fluorescent sensing of LMOFs constructed from tri(4-pyridylphenyl)amine ligand RSC Advances, 2021, 11, 16989-16995
7242797	CIF	C33 H22 N2 O2	P 1 21/c 1	24.8541; 6.7596; 15.6816 90; 104.869; 90	2546.35	Kondo, Mizuho; Morita, Yuya; Nishida, Jun-ichi; Kawase, Takeshi; Kawatsuki, Nobuhiro Mechano-induced photoluminescence colour change in an alkyltolane-terminated cyanostilbene CrystEngComm, 2021, 23, 5869-5875
7242798	CIF	C10 H16.22 Cl N5 O2.11	C 1 2/c 1	18.892; 6.2547; 24.173 90; 104.589; 90	2764.3	da Silva, Amandha Kaiser; Diniz, Luan F.; Tenorio, Juan C.; Nazário, Carlos E. D.; Ribeiro, Caue; Carvalho Jr, Paulo S. Driving a sustainable application of s-triazine ametryn and atrazine herbicides through multicomponent crystals with improved solubility CrystEngComm, 2021, 23, 4252-4263
7242799	CIF	C9 H18 N6 O3 S	P -1	9.1659; 9.5067; 9.6825 77.541; 72.346; 67.479	737.89	da Silva, Amandha Kaiser; Diniz, Luan F.; Tenorio, Juan C.; Nazário, Carlos E. D.; Ribeiro, Caue; Carvalho Jr, Paulo S. Driving a sustainable application of s-triazine ametryn and atrazine herbicides through multicomponent crystals with improved solubility CrystEngComm, 2021, 23, 4252-4263
7242800	CIF	C11 H18 F3 N5 O2 S	P 1 21/c 1	8.2238; 10.1689; 19.8066 90; 99.017; 90	1635.9	da Silva, Amandha Kaiser; Diniz, Luan F.; Tenorio, Juan C.; Nazário, Carlos E. D.; Ribeiro, Caue; Carvalho Jr, Paulo S. Driving a sustainable application of s-triazine ametryn and atrazine herbicides through multicomponent crystals with improved solubility CrystEngComm, 2021, 23, 4252-4263
7242801	CIF	C10 H16 Cl N5 O2	C 1 2/c 1	18.922; 6.297; 24.311 90; 104.748; 90	2801	da Silva, Amandha Kaiser; Diniz, Luan F.; Tenorio, Juan C.; Nazário, Carlos E. D.; Ribeiro, Caue; Carvalho Jr, Paulo S. Driving a sustainable application of s-triazine ametryn and atrazine herbicides through multicomponent crystals with improved solubility CrystEngComm, 2021, 23, 4252-4263
7242802	CIF	C44 H66 Mn N14 O22 P2	P 21 21 2	13.9445; 19.9094; 10.1085 90; 90; 90	2806.4	Iqbal, Muhammad Javed; Li, Zhongkui; Khan, Maroof Ahmad; Zhu, Yanhong; Hussain, Wajid; Su, Hao; Qiu, Qi-Ming; Shoukat, Rizwan; Li, Hui Studies on the structure and chirality of A-motif in adenosine monophosphate nucleotide metal coordination complexes CrystEngComm, 2021, 23, 4175-4180
7242803	CIF	C22 H42 Cd N7 O17 P	P 1	6.8541; 10.2632; 14.0271 111.04; 93.282; 92.104	917.7	Iqbal, Muhammad Javed; Li, Zhongkui; Khan, Maroof Ahmad; Zhu, Yanhong; Hussain, Wajid; Su, Hao; Qiu, Qi-Ming; Shoukat, Rizwan; Li, Hui Studies on the structure and chirality of A-motif in adenosine monophosphate nucleotide metal coordination complexes CrystEngComm, 2021, 23, 4175-4180
7242804	CIF	C45 H62 Cd N14 O19 P2	P 21 21 2	13.9986; 19.9756; 10.1006 90; 90; 90	2824.44	Iqbal, Muhammad Javed; Li, Zhongkui; Khan, Maroof Ahmad; Zhu, Yanhong; Hussain, Wajid; Su, Hao; Qiu, Qi-Ming; Shoukat, Rizwan; Li, Hui Studies on the structure and chirality of A-motif in adenosine monophosphate nucleotide metal coordination complexes CrystEngComm, 2021, 23, 4175-4180
7242805	CIF	C40 H34 Cl8 N4 O6	P -1	8.083; 9.0956; 15.0054 82.8035; 80.0928; 71.2636	1026.25	Drozd, Ksenia V.; Manin, Alex N.; Voronin, Alexander P.; Boycov, Denis; Andrei, Churakov; Perlovich, German L. A combined experimental and theoretical study of miconazole salts and cocrystals: crystal structures, DFT computations, formation thermodynamics and solubility improvement Physical Chemistry Chemical Physics, 2021
7242806	CIF	C22 H18 Cl4 N2 O5	P -1	8.8026; 8.8626; 29.7363 83.6323; 85.5987; 89.666	2298.73	Drozd, Ksenia V.; Manin, Alex N.; Voronin, Alexander P.; Boycov, Denis; Andrei, Churakov; Perlovich, German L. A combined experimental and theoretical study of miconazole salts and cocrystals: crystal structures, DFT computations, formation thermodynamics and solubility improvement Physical Chemistry Chemical Physics, 2021
7242807	CIF	C40 H32 Cl8 N4 O6	P -1	8.1544; 8.9059; 14.8899 81.5113; 81.5921; 70.0821	1000.15	Drozd, Ksenia V.; Manin, Alex N.; Voronin, Alexander P.; Boycov, Denis; Andrei, Churakov; Perlovich, German L. A combined experimental and theoretical study of miconazole salts and cocrystals: crystal structures, DFT computations, formation thermodynamics and solubility improvement Physical Chemistry Chemical Physics, 2021
7242808	CIF	C42 H38 Cl8 N4 O6	P -1	12.6233; 13.3497; 16.0081 103.462; 100.435; 113.091	2298.7	Drozd, Ksenia V.; Manin, Alex N.; Voronin, Alexander P.; Boycov, Denis; Andrei, Churakov; Perlovich, German L. A combined experimental and theoretical study of miconazole salts and cocrystals: crystal structures, DFT computations, formation thermodynamics and solubility improvement Physical Chemistry Chemical Physics, 2021
7242809	CIF	C18 H15 Cl4 N2 O1.5	P 1 21/n 1	7.9812; 32.6965; 14.5964 90; 91.2751; 90	3808.1	Drozd, Ksenia V.; Manin, Alex N.; Voronin, Alexander P.; Boycov, Denis; Andrei, Churakov; Perlovich, German L. A combined experimental and theoretical study of miconazole salts and cocrystals: crystal structures, DFT computations, formation thermodynamics and solubility improvement Physical Chemistry Chemical Physics, 2021
7242810	CIF	C42 H38 Co N4 O12	P -1	9.5008; 10.3315; 11.4636 86.225; 76.084; 67.841	1011.15	Lu, Xue; Zhao, Ying; Wang, Xiu-Li; Liu, Guo-Cheng; Xu, Na; Lin, Hong-Yan; Wang, Xiang Six CoII coordination polymers exhibiting UV-light-driven photocatalysis for the degradation of organic dyes CrystEngComm, 2021, 23, 3828-3837
7242811	CIF	C20 H22 Co N2 O6	P -1	8.618; 9.1037; 13.5328 79.294; 72.69; 74.067	968.4	Lu, Xue; Zhao, Ying; Wang, Xiu-Li; Liu, Guo-Cheng; Xu, Na; Lin, Hong-Yan; Wang, Xiang Six CoII coordination polymers exhibiting UV-light-driven photocatalysis for the degradation of organic dyes CrystEngComm, 2021, 23, 3828-3837
7242812	CIF	C29 H23 Co N4 O7	C 1 2/c 1	28.979; 10.115; 17.028 90; 95.201; 90	4971	Lu, Xue; Zhao, Ying; Wang, Xiu-Li; Liu, Guo-Cheng; Xu, Na; Lin, Hong-Yan; Wang, Xiang Six CoII coordination polymers exhibiting UV-light-driven photocatalysis for the degradation of organic dyes CrystEngComm, 2021, 23, 3828-3837
7242813	CIF	C40 H34 Co2 N6 O13	P 1 21/c 1	15.6969; 7.7903; 31.0089 90; 94.603; 90	3779.6	Lu, Xue; Zhao, Ying; Wang, Xiu-Li; Liu, Guo-Cheng; Xu, Na; Lin, Hong-Yan; Wang, Xiang Six CoII coordination polymers exhibiting UV-light-driven photocatalysis for the degradation of organic dyes CrystEngComm, 2021, 23, 3828-3837
7242814	CIF	C36 H30 Co N4 O8	P -1	8.641; 14.144; 17.121 82.368; 76.967; 73.737	1951.6	Lu, Xue; Zhao, Ying; Wang, Xiu-Li; Liu, Guo-Cheng; Xu, Na; Lin, Hong-Yan; Wang, Xiang Six CoII coordination polymers exhibiting UV-light-driven photocatalysis for the degradation of organic dyes CrystEngComm, 2021, 23, 3828-3837
7242815	CIF	C64 H52 Co2 N10 O19	P -1	12.9385; 15.954; 16.193 113.997; 101.122; 92.4	2969.2	Lu, Xue; Zhao, Ying; Wang, Xiu-Li; Liu, Guo-Cheng; Xu, Na; Lin, Hong-Yan; Wang, Xiang Six CoII coordination polymers exhibiting UV-light-driven photocatalysis for the degradation of organic dyes CrystEngComm, 2021, 23, 3828-3837
7242816	CIF	C23 H21 Br N2 O2 S	P 1 21/n 1	12.3545; 11.999; 14.3274 90; 94.051; 90	2118.61	He, Han; Xu, Ning; Zhang, Honglin; Chen, Bin; Hu, Zhengnan; Guo, Kang; Chun, Jianlin; Cao, Shujun; Zhu, Yingguang Brønsted acid-promoted hydroamination of unsaturated hydrazones: access to biologically important 5-arylpyrazolines RSC Advances, 2021, 11, 17340-17345
7242817	CIF	C16 H18 N3 Na O5 S	P 21 21 21	10.6221; 13.075; 13.3414 90; 90; 90	1852.9	Cui, Pingping; Yin, Qiuxiang; Zhang, Shihao; Yang, Wenchao; Jia, Lihong; Dai, Jiayu; Zhou, Ling; Wang, Zhao Insight into amoxicillin sodium heterosolvates and non-solvated form: crystal structures, phase transformation behaviors, and desolvation mechanism CrystEngComm, 2021, 23, 3995-4004
7242818	CIF	C20 H28 N3 Na O8 S	P 21 21 21	9.9361; 15.3223; 15.6894 90; 90; 90	2388.6	Cui, Pingping; Yin, Qiuxiang; Zhang, Shihao; Yang, Wenchao; Jia, Lihong; Dai, Jiayu; Zhou, Ling; Wang, Zhao Insight into amoxicillin sodium heterosolvates and non-solvated form: crystal structures, phase transformation behaviors, and desolvation mechanism CrystEngComm, 2021, 23, 3995-4004
7242819	CIF	C27 H34 N6 O8 P	P 1 21 1	10.51; 12.83; 11.14 90; 100.2; 90	1478	Sekharan, Sivakumar; Liu, Xuetao; Yang, Zhuocen; Liu, Xiang; Deng, Li; Ruan, Shigang; Abramov, Yuriy; Sun, GuangXu; Li, Sizhu; Zhou, Tian; Shi, Baime; Zeng, Qun; Zeng, Qiao; Chang, Chao; Jin, Yingdi; Shi, Xuekun Selecting a stable solid form of remdesivir using microcrystal electron diffraction and crystal structure prediction RSC Advances, 2021, 11, 17408-17412
7242820	CIF	C27 H35 N6 O8 P	P 1 21 1	10.35; 12.5; 11.52 90; 103.7; 90	1448	Sekharan, Sivakumar; Liu, Xuetao; Yang, Zhuocen; Liu, Xiang; Deng, Li; Ruan, Shigang; Abramov, Yuriy; Sun, GuangXu; Li, Sizhu; Zhou, Tian; Shi, Baime; Zeng, Qun; Zeng, Qiao; Chang, Chao; Jin, Yingdi; Shi, Xuekun Selecting a stable solid form of remdesivir using microcrystal electron diffraction and crystal structure prediction RSC Advances, 2021, 11, 17408-17412
7242821	CIF	C27 H35 N6 O8 P	P 1 21 1	10.03; 12.2; 11.44 90; 104.4; 90	1356	Sekharan, Sivakumar; Liu, Xuetao; Yang, Zhuocen; Liu, Xiang; Deng, Li; Ruan, Shigang; Abramov, Yuriy; Sun, GuangXu; Li, Sizhu; Zhou, Tian; Shi, Baime; Zeng, Qun; Zeng, Qiao; Chang, Chao; Jin, Yingdi; Shi, Xuekun Selecting a stable solid form of remdesivir using microcrystal electron diffraction and crystal structure prediction RSC Advances, 2021, 11, 17408-17412
7242822	CIF	C27 H34 N6 O8 P	P 1 21 1	10.21; 12.49; 10.85 90; 100.9; 90	1359	Sekharan, Sivakumar; Liu, Xuetao; Yang, Zhuocen; Liu, Xiang; Deng, Li; Ruan, Shigang; Abramov, Yuriy; Sun, GuangXu; Li, Sizhu; Zhou, Tian; Shi, Baime; Zeng, Qun; Zeng, Qiao; Chang, Chao; Jin, Yingdi; Shi, Xuekun Selecting a stable solid form of remdesivir using microcrystal electron diffraction and crystal structure prediction RSC Advances, 2021, 11, 17408-17412
7242823	CIF	C34 H18 O8 Th	P 1 2/n 1	5.64; 11.024; 28.315 90; 92.102; 90	1759.3	Yu, Ting; Qian, Zheng-hua; Li, Lin; Wu, Xiao-ling; He, Hui; Qiao, Yan-bo; Ye, Guo-an Synthesis of luminescent thorium-based metal‒organic frameworks with 1,2,4,5-tetrakis(4-carboxyphenyl)benzene RSC Advances, 2021, 11, 17431-17436
7242824	CIF	C37 H27 N O10 Th	P 1 21/n 1	12.077; 31.421; 14.83 90; 112.117; 90	5213.5	Yu, Ting; Qian, Zheng-hua; Li, Lin; Wu, Xiao-ling; He, Hui; Qiao, Yan-bo; Ye, Guo-an Synthesis of luminescent thorium-based metal‒organic frameworks with 1,2,4,5-tetrakis(4-carboxyphenyl)benzene RSC Advances, 2021, 11, 17431-17436
7242825	CIF	C34 H18 O15 Th2	C m c e	33.443; 16.4404; 20.0127 90; 90; 90	11003.3	Yu, Ting; Qian, Zheng-hua; Li, Lin; Wu, Xiao-ling; He, Hui; Qiao, Yan-bo; Ye, Guo-an Synthesis of luminescent thorium-based metal‒organic frameworks with 1,2,4,5-tetrakis(4-carboxyphenyl)benzene RSC Advances, 2021, 11, 17431-17436
7242826	CIF	C22 H114 Cl7 Cr2 Dy5 O90	P b c n	19.3983; 23.5501; 18.7638 90; 90; 90	8571.9	Yin, Jia-Jia; Lu, Tian-Qi; Chen, Cheng; Shi, Hai-Yan; Zhuang, Gui-Lin; Zheng, Jun; Fang, Xiaolong; Zheng, Xiu-Ying A new family of decanuclear Ln7Cr3 clusters exhibiting a magnetocaloric effect RSC Advances, 2021, 11, 17346-17351
7242827	CIF	C22 H138 Cl7 Cr2 Gd5 O102	P b c n	19.483; 23.488; 18.895 90; 90; 90	8646.67	Yin, Jia-Jia; Lu, Tian-Qi; Chen, Cheng; Shi, Hai-Yan; Zhuang, Gui-Lin; Zheng, Jun; Fang, Xiaolong; Zheng, Xiu-Ying A new family of decanuclear Ln7Cr3 clusters exhibiting a magnetocaloric effect RSC Advances, 2021, 11, 17346-17351
7242828	CIF	C24 H16 F4 I2 N2	P -1	6.899; 9.0065; 10.5354 67.043; 74.813; 69.918	559.89	Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes CrystEngComm, 2021, 23, 4247-4251
7242829	CIF	C44 H28 F10 I2 N2	P -1	7.6854; 9.3757; 14.3001 78.9336; 76.5682; 76.3666	963.67	Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes CrystEngComm, 2021, 23, 4247-4251
7242830	CIF	C30 H16 F10 I2 N2	P 1 21/c 1	4.0202; 27.092; 13.0226 90; 93.8344; 90	1415.18	Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes CrystEngComm, 2021, 23, 4247-4251
7242831	CIF	C24 H16 F3 I3 N2	P b c a	7.42; 17.8302; 35.8919 90; 90; 90	4748.5	Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes CrystEngComm, 2021, 23, 4247-4251
7242832	CIF	C24 H16 F3 I3 N2	P b c n	5.511; 18.5899; 23.7423 90; 90; 90	2432.4	Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes CrystEngComm, 2021, 23, 4247-4251
7242833	CIF	C44 H28 F6 I6 N2	P 1 21/c 1	7.782; 33.4952; 9.1815 90; 114.99; 90	2169.2	Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes CrystEngComm, 2021, 23, 4247-4251
7242834	CIF	C28 H16 F4 I2 N4	P 1 21/n 1	12.3957; 17.8774; 13.0708 90; 115.915; 90	2605.26	Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes CrystEngComm, 2021, 23, 4247-4251
7242835	CIF	C16 H18 N3 Na O5 S	P 21 21 21	10.6221; 13.075; 13.3414 90; 90; 90	1852.9	Peng, Shuang; Qi, Yan-Jie; Li, Xin-Hao; Sun, Cai; Li, Ling-Yun; Li, Xin-Xiong; Zheng, Shou-Tian; Zhang, Qichun Two isomeric zeolite-like metal‒organic frameworks with mechanically responsive luminescence emission and gas adsorption properties CrystEngComm, 2021, 23, 5753-5757
7242836	CIF	C20 H28 N3 Na O8 S	P 21 21 21	9.9361; 15.3223; 15.6894 90; 90; 90	2388.6	Peng, Shuang; Qi, Yan-Jie; Li, Xin-Hao; Sun, Cai; Li, Ling-Yun; Li, Xin-Xiong; Zheng, Shou-Tian; Zhang, Qichun Two isomeric zeolite-like metal‒organic frameworks with mechanically responsive luminescence emission and gas adsorption properties CrystEngComm, 2021, 23, 5753-5757
7242837	CIF	C16 H16 F2 N2	P 1 21/n 1	16.4415; 11.6143; 16.8425 90; 118.923; 90	2815.03	Zamisa, Sizwe J.; Bongoza, Unathi; Omondi, Bernard Predicting molecular isomerism of symmetrical and unsymmetrical N,N′-diphenyl formamidines in the solid-state: crystal structure, Hirshfeld surface analysis, pairwise interaction energy, and ΔHfusion and ΔSfusion correlations CrystEngComm, 2021, 23, 4459-4474
7242838	CIF	C15 H14 Cl2 N2	C 1 c 1	10.6079; 42.6839; 8.2782 90; 128.984; 90	2913.6	Zamisa, Sizwe J.; Bongoza, Unathi; Omondi, Bernard Predicting molecular isomerism of symmetrical and unsymmetrical N,N′-diphenyl formamidines in the solid-state: crystal structure, Hirshfeld surface analysis, pairwise interaction energy, and ΔHfusion and ΔSfusion correlations CrystEngComm, 2021, 23, 4459-4474
7242839	CIF	C19 H22 Cl2 N2	P -1	9.8974; 9.9742; 11.0128 75.198; 77.861; 63.236	932.76	Zamisa, Sizwe J.; Bongoza, Unathi; Omondi, Bernard Predicting molecular isomerism of symmetrical and unsymmetrical N,N′-diphenyl formamidines in the solid-state: crystal structure, Hirshfeld surface analysis, pairwise interaction energy, and ΔHfusion and ΔSfusion correlations CrystEngComm, 2021, 23, 4459-4474
7242840	CIF	C13 H8 Cl4 N2	P 1 21/c 1	16.0655; 8.3654; 20.616 90; 93.309; 90	2766.1	Zamisa, Sizwe J.; Bongoza, Unathi; Omondi, Bernard Predicting molecular isomerism of symmetrical and unsymmetrical N,N′-diphenyl formamidines in the solid-state: crystal structure, Hirshfeld surface analysis, pairwise interaction energy, and ΔHfusion and ΔSfusion correlations CrystEngComm, 2021, 23, 4459-4474
7242841	CIF	C16 H16 Cl2 N2	P 21 21 21	8.3329; 8.5627; 21.7172 90; 90; 90	1549.57	Zamisa, Sizwe J.; Bongoza, Unathi; Omondi, Bernard Predicting molecular isomerism of symmetrical and unsymmetrical N,N′-diphenyl formamidines in the solid-state: crystal structure, Hirshfeld surface analysis, pairwise interaction energy, and ΔHfusion and ΔSfusion correlations CrystEngComm, 2021, 23, 4459-4474
7242842	CIF	C42 H24 N2 O15 Zn4	P 1 21/c 1	24.677; 21.78; 25.025 90; 109.5; 90	12679	Xie, Wei; Jiang, Wei; Xu, Guang-Juan; Zhang, Shu-Ran; Xu, Yan-Hong; Su, Zhong-Min A luminescent metal‒organic framework with tetragonal nanochannels as an efficient chemosensor for nitroaromatic explosives detection CrystEngComm, 2021, 23, 3901-3906
7242843	CIF	C5 H11 Br5 N3 O Sb	P 1 21/c 1	11.296; 8.333; 16.662 90; 108.1; 90	1490.8	Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii) RSC Advances, 2021, 11, 17574-17586
7242844	CIF	C8 H10 Bi Br5 N4 S2	P 1 21/n 1	5.752; 15.263; 10.633 90; 104.77; 90	902.7	Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii) RSC Advances, 2021, 11, 17574-17586
7242845	CIF	C8 H10 Cl5 N4 S2 Sb	P 1 21/n 1	5.54; 14.91; 10.21 90; 104.08; 90	818	Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii) RSC Advances, 2021, 11, 17574-17586
7242846	CIF	C10 H18 Cl5 N6 O Sb	P 1 21/m 1	5.626; 18.512; 8.957 90; 91.09; 90	932.7	Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii) RSC Advances, 2021, 11, 17574-17586
7242847	CIF	C20 H32 Bi2 Br10 N12	P -1	9.775; 9.808; 11.435 76.78; 65.46; 82.72	970.2	Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii) RSC Advances, 2021, 11, 17574-17586
7242848	CIF	C16 H28 Bi2 Cl10 N12 O2	C 1 2/c 1	19.226; 13.018; 14.193 90; 100.74; 90	3490.1	Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii) RSC Advances, 2021, 11, 17574-17586
7242849	CIF	C10 H18 Bi Cl5 N6 O	P 1 21/m 1	5.586; 18.595; 8.97 90; 90.66; 90	931.7	Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii) RSC Advances, 2021, 11, 17574-17586
7242850	CIF	C8 H12 Cl5 N6 Sb	P 1 21 1	5.713; 14.125; 10.254 90; 105.65; 90	796.8	Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii) RSC Advances, 2021, 11, 17574-17586
7242851	CIF	C8 H10 Bi Cl5 N4 S2	P 1 21/n 1	5.5; 15.082; 10.36 90; 104.39; 90	832.4	Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii) RSC Advances, 2021, 11, 17574-17586
7242852	CIF	C8 H12 Br5 N6 Sb	P 1 21 1	5.946; 14.401; 10.621 90; 105.31; 90	877.2	Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii) RSC Advances, 2021, 11, 17574-17586
7242853	CIF	C8 H12 Bi Br5 N6	P -1	7.8733; 11.4038; 11.618 115.801; 96.295; 98.857	909.46	Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii) RSC Advances, 2021, 11, 17574-17586
7242854	CIF	C21 H20 Br N O3 S	P 21 21 21	5.9222; 13.176; 26.122 90; 90; 90	2038.3	Zhou, Yanan; Ma, Hongzhi; Yang, Zhongxing; Wu, Chengjun; Sun, Tiemin A systematic investigation on the impact of the level of oxidation at sulfur and the configuration of R/S-sulfoxide on the solid structure CrystEngComm, 2021, 23, 4181-4193
7242855	CIF	C21 H20 Br N O5 S	P 21 21 21	7.8376; 10.864; 24.59 90; 90; 90	2093.8	Zhou, Yanan; Ma, Hongzhi; Yang, Zhongxing; Wu, Chengjun; Sun, Tiemin A systematic investigation on the impact of the level of oxidation at sulfur and the configuration of R/S-sulfoxide on the solid structure CrystEngComm, 2021, 23, 4181-4193
7242856	CIF	C21 H20 Br N O4 S	P 1 21 1	6.4439; 7.6636; 20.6198 90; 95.354; 90	1013.83	Zhou, Yanan; Ma, Hongzhi; Yang, Zhongxing; Wu, Chengjun; Sun, Tiemin A systematic investigation on the impact of the level of oxidation at sulfur and the configuration of R/S-sulfoxide on the solid structure CrystEngComm, 2021, 23, 4181-4193
7242857	CIF	C21 H20 Br N O4 S	P 41	11.0865; 11.0865; 16.544 90; 90; 90	2033.4	Zhou, Yanan; Ma, Hongzhi; Yang, Zhongxing; Wu, Chengjun; Sun, Tiemin A systematic investigation on the impact of the level of oxidation at sulfur and the configuration of R/S-sulfoxide on the solid structure CrystEngComm, 2021, 23, 4181-4193
7242858	CIF	C24 H17 F Fe N3 O6	P -1	8.1982; 11.5358; 12.9597 103.868; 103.308; 107.779	1070.33	Díaz-Torres, Raúl; Echeverría, Jorge; Loveday, Oliver; Harding, Phimphaka; Harding, David J. Interplay of halogen and hydrogen bonding in a series of heteroleptic iron(iii) complexes CrystEngComm, 2021, 23, 4069-4076
7242859	CIF	C24 H17 Fe I N3 O6	P 1 21/n 1	12.1991; 9.3756; 19.0747 90; 95.6028; 90	2171.22	Díaz-Torres, Raúl; Echeverría, Jorge; Loveday, Oliver; Harding, Phimphaka; Harding, David J. Interplay of halogen and hydrogen bonding in a series of heteroleptic iron(iii) complexes CrystEngComm, 2021, 23, 4069-4076
7242860	CIF	C24 H17 Cl Fe N3 O6	P -1	8.2215; 11.9651; 12.8982 105.94; 105.557; 104.264	1102.95	Díaz-Torres, Raúl; Echeverría, Jorge; Loveday, Oliver; Harding, Phimphaka; Harding, David J. Interplay of halogen and hydrogen bonding in a series of heteroleptic iron(iii) complexes CrystEngComm, 2021, 23, 4069-4076
7242861	CIF	C24 H17 Br Fe N3 O6	P 1 21/n 1	12.2056; 9.3067; 18.8067 90; 94.801; 90	2128.83	Díaz-Torres, Raúl; Echeverría, Jorge; Loveday, Oliver; Harding, Phimphaka; Harding, David J. Interplay of halogen and hydrogen bonding in a series of heteroleptic iron(iii) complexes CrystEngComm, 2021, 23, 4069-4076
7242862	CIF	C115 H73 Cl7 Co14 N40 O18 S12	P 21 21 21	22.6762; 24.9574; 32.1099 90; 90; 90	18172.2	Yu, Yanan; Wang, Zhao; Li, Ziping; Hang, Xinxin; Bi, Yanfeng Assembly of {Co14} nanoclusters from adenine-modified Co4-thiacalix[4]arene units CrystEngComm, 2021, 23, 4382-4388
7242863	CIF	C41 H36 Cl Co4 N11 O10 S4	P b c a	19.899; 18.907; 25.949 90; 90; 90	9763	Yu, Yanan; Wang, Zhao; Li, Ziping; Hang, Xinxin; Bi, Yanfeng Assembly of {Co14} nanoclusters from adenine-modified Co4-thiacalix[4]arene units CrystEngComm, 2021, 23, 4382-4388
7242864	CIF	C108 H66 Cl4 Co14 N30 O25 S12	P -6 2 c	25.8926; 25.8926; 18.9542 90; 90; 120	11004.9	Yu, Yanan; Wang, Zhao; Li, Ziping; Hang, Xinxin; Bi, Yanfeng Assembly of {Co14} nanoclusters from adenine-modified Co4-thiacalix[4]arene units CrystEngComm, 2021, 23, 4382-4388
7242865	CIF	C116 H88 Co14 N30 O31 S12	P -1	15.8696; 18.177; 33.267 96.052; 95.278; 108.469	8970.9	Yu, Yanan; Wang, Zhao; Li, Ziping; Hang, Xinxin; Bi, Yanfeng Assembly of {Co14} nanoclusters from adenine-modified Co4-thiacalix[4]arene units CrystEngComm, 2021, 23, 4382-4388
7242866	CIF	C32 H36 Ca3 O24	C 1 2/c 1	23.4643; 11.4906; 16.2903 90; 122.775; 90	3692.95	Pan, Yanxiong; Li, Hui; Lenertz, Mary; Han, Yulun; Ugrinov, Angel; Kilin, Dmitri; Chen, Bingcan; Yang, Zhongyu One-pot synthesis of enzyme@metal‒organic material (MOM) biocomposites for enzyme biocatalysis Green Chemistry, 2021, 23, 4466-4476
7242867	CIF	C22 H19 N3 O2 S	P 1 21/c 1	20.8714; 5.6704; 17.1989 90; 114.207; 90	1856.49	Thushara, Nadini; Darshani, Taniya; Samarakoon, Sameera R.; Perera, Inoka C.; Fronczek, Frank R.; Sameera, W. M. C.; Perera, Theshini Synthesis, characterization and biological evaluation of dipicolylamine sulfonamide derivatized platinum complexes as potential anticancer agents RSC Advances, 2021, 11, 17658-17668
7242868	CIF	C22 H19 Cl2 N3 O2 Pt S	C 1 2/c 1	26.7076; 8.7572; 18.7201 90; 91.356; 90	4377.1	Thushara, Nadini; Darshani, Taniya; Samarakoon, Sameera R.; Perera, Inoka C.; Fronczek, Frank R.; Sameera, W. M. C.; Perera, Theshini Synthesis, characterization and biological evaluation of dipicolylamine sulfonamide derivatized platinum complexes as potential anticancer agents RSC Advances, 2021, 11, 17658-17668
7242869	CIF	C22 H19 Cl2 N3 O2 Pt S	C 1 2/c 1	25.9376; 9.6371; 17.6498 90; 97.188; 90	4377.1	Thushara, Nadini; Darshani, Taniya; Samarakoon, Sameera R.; Perera, Inoka C.; Fronczek, Frank R.; Sameera, W. M. C.; Perera, Theshini Synthesis, characterization and biological evaluation of dipicolylamine sulfonamide derivatized platinum complexes as potential anticancer agents RSC Advances, 2021, 11, 17658-17668
7242870	CIF	C17 H22 Cl2 N4 O2 Pt S	I 1 2/a 1	17.5316; 9.5135; 24.202 90; 91.872; 90	4034.4	Thushara, Nadini; Darshani, Taniya; Samarakoon, Sameera R.; Perera, Inoka C.; Fronczek, Frank R.; Sameera, W. M. C.; Perera, Theshini Synthesis, characterization and biological evaluation of dipicolylamine sulfonamide derivatized platinum complexes as potential anticancer agents RSC Advances, 2021, 11, 17658-17668
7242871	CIF	C4 H5 N5 O4	C m c e	7.7002; 14.3978; 12.7602 90; 90; 90	1414.7	Wozniak, Dominique R.; Zeller, Matthias; Byrd, Edward F. C.; Piercey, Davin G. 3-Methyl-1,2,3-triazolium-1N-dinitromethylylide and the strategy of zwitterionic dinitromethyl groups in energetic materials design RSC Advances, 2021, 11, 17710-17714
7242872	CIF	C28 H31 N4 O S	P 1 21/n 1	13.815; 10.555; 17.808 90; 111.233; 90	2420.4	Pal, Kavita; Raza, Md Kausar; Legac, Jenny; Ataur Rahman, Md.; Manzoor, Shoaib; Rosenthal, Philip J.; Hoda, Nasimul Design, synthesis, crystal structure and anti-plasmodial evaluation of tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine derivatives RSC Medicinal Chemistry, 2021
7242873	CIF	C31 H37 N4 O2 S	P -1	10.221; 13.97; 21.807 79.88; 76.458; 68.561	2804	Pal, Kavita; Raza, Md Kausar; Legac, Jenny; Ataur Rahman, Md.; Manzoor, Shoaib; Rosenthal, Philip J.; Hoda, Nasimul Design, synthesis, crystal structure and anti-plasmodial evaluation of tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine derivatives RSC Medicinal Chemistry, 2021
7242874	CIF	C2 N3 S3	P 1 21/c 1	9.4388; 3.71; 15.0549 90; 104.552; 90	510.279	Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A. Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA CrystEngComm, 2021, 23, 4444-4450
7242875	CIF	C2 N3 S3	P 1 21/c 1	9.28; 3.3957; 14.64 90; 104.34; 90	447	Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A. Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA CrystEngComm, 2021, 23, 4444-4450
7242876	CIF	C2 N3 S3	P 1 21/c 1	9.191; 3.3508; 14.562 90; 104.44; 90	434.3	Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A. Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA CrystEngComm, 2021, 23, 4444-4450
7242877	CIF	C2 N3 S3	P 1 21/c 1	9.327; 3.462; 14.734 90; 104.37; 90	460.9	Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A. Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA CrystEngComm, 2021, 23, 4444-4450
7242878	CIF	C2 N3 S3	P 1 21/c 1	9.348; 3.5161; 14.834 90; 104.56; 90	471.9	Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A. Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA CrystEngComm, 2021, 23, 4444-4450
7242879	CIF	C2 N3 S3	P 1 21/c 1	9.409; 3.6033; 14.945 90; 104.55; 90	490.4	Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A. Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA CrystEngComm, 2021, 23, 4444-4450
7242880	CIF	C2 N3 S3	P 1 21/c 1	9.084; 3.3013; 14.495 90; 104.62; 90	420.6	Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A. Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA CrystEngComm, 2021, 23, 4444-4450
7242881	CIF	C2 N3 S3	P 1 21/c 1	9.323; 3.4191; 14.678 90; 104.31; 90	453.4	Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A. Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA CrystEngComm, 2021, 23, 4444-4450
7242882	CIF	C2 N3 S3	P 1 21/c 1	9.24; 3.371; 14.596 90; 104.46; 90	440.2	Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A. Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA CrystEngComm, 2021, 23, 4444-4450
7242883	CIF	C2 N3 S3	P 1 21/c 1	9.07; 3.268; 14.418 90; 104.63; 90	413.5	Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A. Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA CrystEngComm, 2021, 23, 4444-4450
7242884	CIF	C82 H67 N Ni2 O28 Ti4	P -1	14.4874; 14.58; 22.5228 103.963; 91.48; 116.861	4068.4	Wang, Chao; Lu, Yong Jun; Rao, Ming Yang; Chen, Ning; Wang, Shou Juan; Kong, Fan Gong Co-crystal of Ti4Ni2 and Ti8Ni4 clusters with enhanced photochemical properties CrystEngComm, 2021, 23, 4402-4407
7242885	CIF	C226 H193 N7 Ni6 O78 Ti12	P -1	13.2237; 15.5692; 30.2206 78.592; 79.325; 71.855	5744.39	Wang, Chao; Lu, Yong Jun; Rao, Ming Yang; Chen, Ning; Wang, Shou Juan; Kong, Fan Gong Co-crystal of Ti4Ni2 and Ti8Ni4 clusters with enhanced photochemical properties CrystEngComm, 2021, 23, 4402-4407
7242886	CIF	C63 H52 N2 O4	P 21 21 21	10.0606; 20.736; 22.81 90; 90; 90	4758.5	Kodama, Koichi; Takase, Fusato; Hirose, Takuji Direct enantioseparation of axially chiral 1,1′-biaryl-2,2′-diols using amidine-based resolving agents RSC Advances, 2021, 11, 18162-18170
7242887	CIF	C13 H13 N3 O3	P 1 21 1	9.4244; 5.0509; 13.2982 90; 100.928; 90	621.54	Kodama, Koichi; Takase, Fusato; Hirose, Takuji Direct enantioseparation of axially chiral 1,1′-biaryl-2,2′-diols using amidine-based resolving agents RSC Advances, 2021, 11, 18162-18170
7242888	CIF	C40 H44 N2 O2	P 21 21 21	10.6751; 12.6375; 23.647 90; 90; 90	3190.1	Kodama, Koichi; Takase, Fusato; Hirose, Takuji Direct enantioseparation of axially chiral 1,1′-biaryl-2,2′-diols using amidine-based resolving agents RSC Advances, 2021, 11, 18162-18170
7242889	CIF	C27 H18 Br2 N4 S2	P -1	7.8533; 11.2055; 14.9614 109.965; 95.868; 95.134	1220.1	Wang, Kai-Kai; Li, Yan-Li; Guo, Dong-Guang; Pan, Peng-Tao; Sun, Aili; Chen, Rongxiang Synthesis of spiro[4.4]thiadiazole derivatives via double 1,3-dipolar cycloaddition of hydrazonyl chlorides with carbon disulfide RSC Advances, 2021, 11, 18404-18407
7242890	CIF	C13 H11 N3	P 21 21 21	5.9524; 10.0773; 17.1337 90; 90; 90	1027.75	Fiore, Cecilia; Shemchuk, Oleksii; Grepioni, Fabrizia; Turner, Raymond J.; Braga, Dario Proflavine and zinc chloride “team chemistry”: combining antibacterial agents via solid-state interaction CrystEngComm, 2021, 23, 4494-4499
7242891	CIF	C13 H16 Cl N3 O2	P -1	7.517; 12.5737; 15.5867 89.941; 77.478; 75.976	1393.23	Fiore, Cecilia; Shemchuk, Oleksii; Grepioni, Fabrizia; Turner, Raymond J.; Braga, Dario Proflavine and zinc chloride “team chemistry”: combining antibacterial agents via solid-state interaction CrystEngComm, 2021, 23, 4494-4499
7242892	CIF	C26 H26 Cl4 N6 O Zn	P -1	8.7727; 10.1439; 16.8688 100.796; 93.143; 112.422	1349.85	Fiore, Cecilia; Shemchuk, Oleksii; Grepioni, Fabrizia; Turner, Raymond J.; Braga, Dario Proflavine and zinc chloride “team chemistry”: combining antibacterial agents via solid-state interaction CrystEngComm, 2021, 23, 4494-4499
7242893	CIF	C13 H12 Cl3 N3 Zn	P -1	12.1724; 9.6326; 6.7045 104.858; 104.436; 85.7581	735.8	Fiore, Cecilia; Shemchuk, Oleksii; Grepioni, Fabrizia; Turner, Raymond J.; Braga, Dario Proflavine and zinc chloride “team chemistry”: combining antibacterial agents via solid-state interaction CrystEngComm, 2021, 23, 4494-4499
7242894	CIF	C23 H33 Co N5 O10 S	P -1	7.144; 12.849; 15.65 75.61; 83.28; 83.22	1376	Yan, Min; Zhu, Peizhi; Yang, Shengyang; Kong, Wei-Jian; Wang, Jian; Zhang, Kou-Lin A newly-constructed hydrolytically stable Co(ii) coordination polymer showing dual responsive fluorescence sensing of pH and Cu2+ CrystEngComm, 2021, 23, 4370-4381
7242895	CIF	C10 H8 O3	P -1	6.8212; 13.3401; 18.5886 80.8654; 89.4342; 81.6705	1652.26	Yano, Kanae; Nishimura, Ryo; Hattori, Yohei; Morimoto, Masakazu; Sugiyama, Haruki; Kamitanaka, Takashi; Yokojima, Satoshi; Nakamura, Shinichio; Uchida, Kingo Photoinduced topographical surface changes and photoresponse of the crystals of 7-methoxycoumarin CrystEngComm, 2021, 23, 5780-5787
7242896	CIF	C10 H8 O3	P -1	6.8504; 10.7265; 12.3293 107.962; 95.521; 95.436	850.38	Yano, Kanae; Nishimura, Ryo; Hattori, Yohei; Morimoto, Masakazu; Sugiyama, Haruki; Kamitanaka, Takashi; Yokojima, Satoshi; Nakamura, Shinichio; Uchida, Kingo Photoinduced topographical surface changes and photoresponse of the crystals of 7-methoxycoumarin CrystEngComm, 2021, 23, 5780-5787
7242897	CIF	C10 H8 O3	P -1	6.8137; 10.6684; 12.4313 108.189; 95.2297; 95.2045	848.11	Yano, Kanae; Nishimura, Ryo; Hattori, Yohei; Morimoto, Masakazu; Sugiyama, Haruki; Kamitanaka, Takashi; Yokojima, Satoshi; Nakamura, Shinichio; Uchida, Kingo Photoinduced topographical surface changes and photoresponse of the crystals of 7-methoxycoumarin CrystEngComm, 2021, 23, 5780-5787
7242898	CIF	C20 H16 O6	P b c n	14.6312; 12.0469; 18.6651 90; 90; 90	3289.9	Yano, Kanae; Nishimura, Ryo; Hattori, Yohei; Morimoto, Masakazu; Sugiyama, Haruki; Kamitanaka, Takashi; Yokojima, Satoshi; Nakamura, Shinichio; Uchida, Kingo Photoinduced topographical surface changes and photoresponse of the crystals of 7-methoxycoumarin CrystEngComm, 2021, 23, 5780-5787
7242899	CIF	C12 H12 Na3.8 O45 Ru2 W8	P 1 21/n 1	10.3129; 16.4452; 14.8941 90; 103.446; 90	2456.77	Mukhacheva, Anna A.; Komarov, Vladislav Yu.; Kokovkin, Vasily V.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N. Unusual π‒π interactions directed by the [{(C6H6)Ru}2W8O30(OH)2]6− hybrid anion CrystEngComm, 2021, 23, 4125-4135
7242900	CIF	C12 H12 Na6 O52 Ru2 W8	C 1 2/c 1	25.8211; 16.9966; 17.3342 90; 127.743; 90	6015.7	Mukhacheva, Anna A.; Komarov, Vladislav Yu.; Kokovkin, Vasily V.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N. Unusual π‒π interactions directed by the [{(C6H6)Ru}2W8O30(OH)2]6− hybrid anion CrystEngComm, 2021, 23, 4125-4135
7242901	CIF	C12 H54 Na4 O48.95 Ru2 W8	I 1 2/a 1	20.5086; 17.1615; 17.3902 90; 93.08; 90	6111.8	Mukhacheva, Anna A.; Komarov, Vladislav Yu.; Kokovkin, Vasily V.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N. Unusual π‒π interactions directed by the [{(C6H6)Ru}2W8O30(OH)2]6− hybrid anion CrystEngComm, 2021, 23, 4125-4135
7242902	CIF	C12 H12 Na0.5 O38.7 Ru2 W8	C 1 2/c 1	24.1881; 18.2571; 16.5476 90; 125.354; 90	5959.9	Mukhacheva, Anna A.; Komarov, Vladislav Yu.; Kokovkin, Vasily V.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N. Unusual π‒π interactions directed by the [{(C6H6)Ru}2W8O30(OH)2]6− hybrid anion CrystEngComm, 2021, 23, 4125-4135
7242903	CIF	C12 H12 Na4.2 O54.4 Ru2 W8	C 1 2/c 1	25.5718; 17.0393; 17.3183 90; 127.656; 90	5974.14	Mukhacheva, Anna A.; Komarov, Vladislav Yu.; Kokovkin, Vasily V.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N. Unusual π‒π interactions directed by the [{(C6H6)Ru}2W8O30(OH)2]6− hybrid anion CrystEngComm, 2021, 23, 4125-4135
7242904	CIF	C50 H38 N4 O13 Zn2	C 1 2/c 1	41.592; 16.437; 14.21 90; 90.489; 90	9714	Yang, Xiang-Kai; Lee, Wei-Te; Hu, Ji-Hong; Chen, Jhy-Der Zn(ii) and Cd(ii) coordination polymers with a new angular bis-pyridyl-bis-amide: synthesis, structures and sensing properties CrystEngComm, 2021, 23, 4486-4493
7242905	CIF	C52 H40 Cd2 N4 O12	P 1 21/n 1	14.2507; 19.6734; 16.6986 90; 98.1584; 90	4634.2	Yang, Xiang-Kai; Lee, Wei-Te; Hu, Ji-Hong; Chen, Jhy-Der Zn(ii) and Cd(ii) coordination polymers with a new angular bis-pyridyl-bis-amide: synthesis, structures and sensing properties CrystEngComm, 2021, 23, 4486-4493
7242906	CIF	C15 H25 O5.5	P 1 21 1	6.1285; 32.973; 7.7602 90; 108.863; 90	1483.9	Zhao, Zhen-Zhu; Zhao, Qi-Lu; Feng, Wei-Sheng; He, Hai-Rong; Li, Meng; Xue, Gui-Min; Chen, He-Ping; Liu, Ji-Kai Structure and absolute configuration assignments of ochracines F–L, chamigrane and cadinane sesquiterpenes from the basidiomycete Steccherinum ochraceum HFG119 RSC Advances, 2021, 11, 18693-18701
7242907	CIF	C27 H39 Cl2 K10 N13.5 O64 V24	P 1 21/n 1	13.0012; 20.168; 38.2835 90; 93.6201; 90	10018.2	Greiner, Simon; Anjass, Montaha; Streb, Carsten Supramolecular assembly of a hierarchically structured 3D potassium vanadate framework CrystEngComm, 2021, 23, 3946-3950
7242908	CIF	C25 H35 N O5	P 65	17.676; 17.676; 13.136 90; 90; 120	3554.36	Yi, Xue-Wen; He, Juan; Sun, Li-Tang; Liu, Ji-Kai; Wang, Guo-Kai; Feng, Tao 3-Decalinoyltetramic acids from kiwi-associated fungus Zopfiella sp. and their antibacterial activity against Pseudomonas syringae RSC Advances, 2021, 11, 18827-18831
7242909	CIF	C23 H29 N O4	P 21 21 21	6.8544; 43.892; 6.7683 90; 90; 90	2036.27	Yi, Xue-Wen; He, Juan; Sun, Li-Tang; Liu, Ji-Kai; Wang, Guo-Kai; Feng, Tao 3-Decalinoyltetramic acids from kiwi-associated fungus Zopfiella sp. and their antibacterial activity against Pseudomonas syringae RSC Advances, 2021, 11, 18827-18831
7242910	CIF	C17 H23 Br2 Cd N5 O	P n a 21	11.5549; 14.9462; 12.0964 90; 90; 90	2089.1	Choe, Solhye; Lee, Hyosun; Nayab, Saira Synthesis, structures, and catalytic efficiency in ring opening polymerization of rac-lactide with tridentate vs. bidentate cobalt(ii), zinc(ii), and cadmium(ii) complexes containing N-substituted N,N-bis((3,5-dimethyl-1H-pyrazol-1-yl)methyl)amine ligands RSC Advances, 2021, 11, 18840-18851
7242911	CIF	C21 H29 Br2 Cd N5	P -1	8.983; 13.25; 21.86 107.51; 99.64; 93.76	2427.6	Choe, Solhye; Lee, Hyosun; Nayab, Saira Synthesis, structures, and catalytic efficiency in ring opening polymerization of rac-lactide with tridentate vs. bidentate cobalt(ii), zinc(ii), and cadmium(ii) complexes containing N-substituted N,N-bis((3,5-dimethyl-1H-pyrazol-1-yl)methyl)amine ligands RSC Advances, 2021, 11, 18840-18851
7242912	CIF	C21 H29 Cl2 N5 Zn	P 1 21/n 1	12.837; 12.585; 14.222 90; 92.04; 90	2296.2	Choe, Solhye; Lee, Hyosun; Nayab, Saira Synthesis, structures, and catalytic efficiency in ring opening polymerization of rac-lactide with tridentate vs. bidentate cobalt(ii), zinc(ii), and cadmium(ii) complexes containing N-substituted N,N-bis((3,5-dimethyl-1H-pyrazol-1-yl)methyl)amine ligands RSC Advances, 2021, 11, 18840-18851
7242913	CIF	C21 H29 Cl2 Co N5	P 1 21/n 1	12.775; 12.623; 14.263 90; 92; 90	2298.6	Choe, Solhye; Lee, Hyosun; Nayab, Saira Synthesis, structures, and catalytic efficiency in ring opening polymerization of rac-lactide with tridentate vs. bidentate cobalt(ii), zinc(ii), and cadmium(ii) complexes containing N-substituted N,N-bis((3,5-dimethyl-1H-pyrazol-1-yl)methyl)amine ligands RSC Advances, 2021, 11, 18840-18851
7242914	CIF	C17 H23 Cl2 Co N5 O	P 1 21/n 1	13.536; 10.185; 14.325 90; 95.38; 90	1966.2	Choe, Solhye; Lee, Hyosun; Nayab, Saira Synthesis, structures, and catalytic efficiency in ring opening polymerization of rac-lactide with tridentate vs. bidentate cobalt(ii), zinc(ii), and cadmium(ii) complexes containing N-substituted N,N-bis((3,5-dimethyl-1H-pyrazol-1-yl)methyl)amine ligands RSC Advances, 2021, 11, 18840-18851
7242915	CIF	C17 H23 Cl2 N5 O Zn	C m c 21	14.177; 11.34; 12.075 90; 90; 90	1941.3	Choe, Solhye; Lee, Hyosun; Nayab, Saira Synthesis, structures, and catalytic efficiency in ring opening polymerization of rac-lactide with tridentate vs. bidentate cobalt(ii), zinc(ii), and cadmium(ii) complexes containing N-substituted N,N-bis((3,5-dimethyl-1H-pyrazol-1-yl)methyl)amine ligands RSC Advances, 2021, 11, 18840-18851
7242916	CIF	C28 H38 S2 Si2	P 1 21/c 1	17.6427; 11.2395; 14.1794 90; 95.121; 90	2800.5	Obayashi, Kotaro; Imato, Keiichi; Aoyama, Satoshi; Enoki, Toshiaki; Akiyama, Seiji; Ishida, Mio; Suga, Seiji; Mitsudo, Koichi; Ooyama, Yousuke Synthesis, optical and electrochemical properties of 4,4′-bibenzo[c]thiophene derivatives RSC Advances, 2021, 11, 18870-18880
7242917	CIF	C40 H66 S2 Si4	P -1	7.5572; 13.6372; 22.295 72.523; 89.93; 81.09	2162.7	Obayashi, Kotaro; Imato, Keiichi; Aoyama, Satoshi; Enoki, Toshiaki; Akiyama, Seiji; Ishida, Mio; Suga, Seiji; Mitsudo, Koichi; Ooyama, Yousuke Synthesis, optical and electrochemical properties of 4,4′-bibenzo[c]thiophene derivatives RSC Advances, 2021, 11, 18870-18880
7242918	CIF	C60 H36 Co4 F3 N15 O10 S	P 21 3	23.6033; 23.6033; 23.6033 90; 90; 90	13149.8	Liu, Teng; Shen, Xianfu; Shen, Xiang; He, Chixian; Liu, Jiaming; Liu, Jian-Jun A highly stable metal‒organic framework with cubane-like clusters for the selective oxidation of aryl alkenes to aldehydes or ketones CrystEngComm, 2021, 23, 4667-4673
7242919	CIF	C24 H23 B Dy Fe N14 O9	P 1 21/c 1	17.196; 14.198; 13.203 90; 90.97; 90	3223	Visinescu, Diana; Alexandru, Maria-Gabriela; Dumitrescu, Dan G.; Shova, Sergiu; Moliner, Nicolás; Lloret, Francesc; Julve, Miguel Cyanido-bridged {FeIIILnIII} heterobimetallic chains assembled through the [FeIII{HB(pz)3}(CN)3]− complex as metalloligand: synthesis, crystal structure and magnetic properties CrystEngComm, 2021, 23, 4615-4626
7242920	CIF	C24 H23 B Fe Ho N14 O9	P 1 21/c 1	17.194; 14.188; 13.177 90; 90.93; 90	3214.1	Visinescu, Diana; Alexandru, Maria-Gabriela; Dumitrescu, Dan G.; Shova, Sergiu; Moliner, Nicolás; Lloret, Francesc; Julve, Miguel Cyanido-bridged {FeIIILnIII} heterobimetallic chains assembled through the [FeIII{HB(pz)3}(CN)3]− complex as metalloligand: synthesis, crystal structure and magnetic properties CrystEngComm, 2021, 23, 4615-4626
7242921	CIF	C24 H23 B Fe N14 O9 Tb	P 1 21/c 1	17.221; 14.199; 13.197 90; 90.93; 90	3226.5	Visinescu, Diana; Alexandru, Maria-Gabriela; Dumitrescu, Dan G.; Shova, Sergiu; Moliner, Nicolás; Lloret, Francesc; Julve, Miguel Cyanido-bridged {FeIIILnIII} heterobimetallic chains assembled through the [FeIII{HB(pz)3}(CN)3]− complex as metalloligand: synthesis, crystal structure and magnetic properties CrystEngComm, 2021, 23, 4615-4626
7242922	CIF	C24 H23 B Fe Gd N14 O9	P 1 21/c 1	17.244; 14.193; 13.216 90; 90.93; 90	3234.1	Visinescu, Diana; Alexandru, Maria-Gabriela; Dumitrescu, Dan G.; Shova, Sergiu; Moliner, Nicolás; Lloret, Francesc; Julve, Miguel Cyanido-bridged {FeIIILnIII} heterobimetallic chains assembled through the [FeIII{HB(pz)3}(CN)3]− complex as metalloligand: synthesis, crystal structure and magnetic properties CrystEngComm, 2021, 23, 4615-4626
7242923	CIF	C32 H46 F2 N4 O4 S8	P -1	8.1311; 11.9456; 12.1 103.82; 109.146; 93.699	1064.98	Akhmadiev, Nail S.; Mescheryakova, Ekaterina S.; Akhmetova, Vnira R.; Ibragimov, Askhat G. Metal-free multicomponent synthesis of novel macrocyclic tetrathiadienes with cyano and amino groups RSC Advances, 2021, 11, 18768-18775
7242924	CIF	C10 H5 F N2	P -1	6.9541; 7.3664; 9.1492 107.194; 99.036; 102.848	423.86	Akhmadiev, Nail S.; Mescheryakova, Ekaterina S.; Akhmetova, Vnira R.; Ibragimov, Askhat G. Metal-free multicomponent synthesis of novel macrocyclic tetrathiadienes with cyano and amino groups RSC Advances, 2021, 11, 18768-18775
7242925	CIF	C36 H58 Cl2 N4 O6 S10	P b c a	18.6; 9.7722; 28.091 90; 90; 90	5105.9	Akhmadiev, Nail S.; Mescheryakova, Ekaterina S.; Akhmetova, Vnira R.; Ibragimov, Askhat G. Metal-free multicomponent synthesis of novel macrocyclic tetrathiadienes with cyano and amino groups RSC Advances, 2021, 11, 18768-18775
7242926	CIF	C26 H16 Cd Cl N6 O11	P -1	6.6598; 10.7886; 19.2106 96.432; 98.294; 107.416	1285.5	Zhang, Guoshuai; Fu, Chen; Zhang, Heyi; Zhang, Hong A multifunctional colorimetric sensor originating from a cadmium naphthalene diimide-based metal‒organic framework: photochromism, hydrochromism, and vapochromism CrystEngComm, 2021, 23, 4513-4521
7242927	CIF	C35 H29 N3	P -1	8.6981; 12.6447; 12.8788 81.679; 77.685; 78.768	1349.48	Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D. Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints CrystEngComm, 2021, 23, 4500-4512
7242928	CIF	C20 H19 N O2	P 1 21/c 1	10.7625; 32.3176; 8.613 90; 98.945; 90	2959.3	Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D. Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints CrystEngComm, 2021, 23, 4500-4512
7242929	CIF	C15 H12 I2	P 1 21/c 1	8.4109; 9.6735; 17.0655 90; 90.496; 90	1388.45	Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D. Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints CrystEngComm, 2021, 23, 4500-4512
7242930	CIF	C21 H21 N O4	P 1 21/n 1	10.4257; 8.8243; 18.7805 90; 101.546; 90	1692.83	Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D. Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints CrystEngComm, 2021, 23, 4500-4512
7242931	CIF	C19 H18 N2 O2	P -1	8.7457; 9.3638; 11.2739 108.887; 91.171; 113.671	787.91	Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D. Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints CrystEngComm, 2021, 23, 4500-4512
7242932	CIF	C24 H25 N O4	P 1 21/n 1	10.9539; 9.5493; 19.3902 90; 104.652; 90	1962.3	Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D. Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints CrystEngComm, 2021, 23, 4500-4512
7242933	CIF	C21 H21 N O2	P 1 21/c 1	15.2738; 10.3218; 10.2175 90; 93.356; 90	1608.06	Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D. Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints CrystEngComm, 2021, 23, 4500-4512
7242934	CIF	C15 H15 N O	P 1 21/c 1	9.1836; 9.4806; 13.2584 90; 99.767; 90	1137.62	Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D. Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints CrystEngComm, 2021, 23, 4500-4512
7242935	CIF	C19 H20 N2 O2	P 1 21 1	9.7431; 6.9459; 12.1403 90; 105.257; 90	792.63	Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D. Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints CrystEngComm, 2021, 23, 4500-4512
7242936	CIF	C18 H19 N O	I 41 c d	24.7956; 24.7956; 9.4744 90; 90; 90	5825.07	Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D. Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints CrystEngComm, 2021, 23, 4500-4512
7242937	CIF	C21 H19 N3	I 1 2/a 1	18.4256; 11.2921; 16.4939 90; 99.223; 90	3387.42	Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D. Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints CrystEngComm, 2021, 23, 4500-4512
7242938	CIF	C29 H24 N2 O2	P 1 21/n 1	10.6932; 8.4601; 25.0272 90; 101.328; 90	2219.99	Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D. Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints CrystEngComm, 2021, 23, 4500-4512
7242939	CIF	C24 H21 N	C 1 2/c 1	22.0584; 9.7183; 16.5596 90; 99.142; 90	3504.79	Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D. Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints CrystEngComm, 2021, 23, 4500-4512
7242940	CIF	C52 H46 N4	P b c a	9.8042; 15.4073; 52.7317 90; 90; 90	7965.5	Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D. Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints CrystEngComm, 2021, 23, 4500-4512
7242941	CIF	C32 H28 Cl3 N O2	I 1 2/a 1	19.4622; 9.934; 29.6756 90; 93.325; 90	5727.7	Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D. Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints CrystEngComm, 2021, 23, 4500-4512
7242942	CIF	C25 H21 N O	P 1 21/n 1	12.6676; 9.9541; 15.1783 90; 108.164; 90	1818.53	Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D. Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints CrystEngComm, 2021, 23, 4500-4512
7242943	CIF	C28 H25 N O5	P -1	6.0395; 13.8019; 14.6137 67.4; 86.108; 81.742	1112.84	Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D. Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints CrystEngComm, 2021, 23, 4500-4512
7242944	CIF	C26 H24 Cl3 N O	P 21 21 21	6.1138; 11.1707; 33.835 90; 90; 90	2310.78	Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D. Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints CrystEngComm, 2021, 23, 4500-4512
7242945	CIF	C17 H8 F6 N2 O3	C 1 2/c 1	31.1491; 7.2268; 13.9772 90; 92.13; 90	3144.2	Brahmachari, Goutam; Karmakar, Indrajit; Karmakar, Pintu Catalyst- and solvent-free Csp2‒H functionalization of 4-hydroxycoumarins via C-3 dehydrogenative aza-coupling under ball-milling Green Chemistry, 2021, 23, 4762-4770
7242946	CIF	C22 H18 F3 N3	P 1 21 1	15.3849; 5.8934; 22.187 90; 110.051; 90	1889.7	Laurent, Mazarine; Bostyn, Stéphane; Marchivie, Mathieu; Robin, Yves; Routier, Sylvain; Buron, Frédéric Aminations and arylations by direct C‒O activation for the design of 7,8-dihydro-6H-5,8-ethanopyrido[3,2-d]pyrimidines RSC Advances, 2021, 11, 19363-19377
7242947	CIF	C30 H22 N4	P 1 21/n 1	12.3091; 14.2045; 16.5877 90; 101.973; 90	2837.2	Yin, Haiting; Ma, Qin; Wang, Yushan; Gu, Xiaoxia; Feng, Zhijun; Wu, Yunjun; Wang, Ming; Wang, Shaoyin Synthesis of tetrahydro-β-carbolines from 2-indolylmethyl azides and propargylic alcohols RSC Advances, 2021, 11, 19639-19646
7242948	CIF	C30 H22 N2	P 1 21/c 1	14.5637; 10.7601; 16.2434 90; 98.077; 90	2520.2	Yin, Haiting; Ma, Qin; Wang, Yushan; Gu, Xiaoxia; Feng, Zhijun; Wu, Yunjun; Wang, Ming; Wang, Shaoyin Synthesis of tetrahydro-β-carbolines from 2-indolylmethyl azides and propargylic alcohols RSC Advances, 2021, 11, 19639-19646
7242949	CIF	C34 H42 Cu2 N10 O5 Zn	P 21 21 21	10.269; 16.787; 20.919 90; 90; 90	3606	Hazari, Alokesh; Gomila, Rosa M.; Frontera, Antonio; Drew, Michael G. B.; Ghosh, Ashutosh Change in molecular shapes of the trinuclear CuII2ZnII complexes on Schiff base reduction: structural and theoretical investigations CrystEngComm, 2021, 23, 4848-4856
7242950	CIF	C36 H44 Cu2 N10 O4 Zn	P 1 21/c 1	19.337; 20.605; 21.248 90; 115.62; 90	7634	Hazari, Alokesh; Gomila, Rosa M.; Frontera, Antonio; Drew, Michael G. B.; Ghosh, Ashutosh Change in molecular shapes of the trinuclear CuII2ZnII complexes on Schiff base reduction: structural and theoretical investigations CrystEngComm, 2021, 23, 4848-4856
7242951	CIF	C13 H16 Cl2 N2 O8	P 21 21 2	13.0155; 13.2744; 4.9013 90; 90; 90	846.81	Han, Ding-Chong; Li, Yu-Kong; Liu, Yao; Tan, Yu-Hui; Tang, Yun-Zhi; Wei, Wen-Juan; Du, Peng-Kang; Zhang, Hao Para‒ferroelectric phase transition induces an excellent second harmonic generation response and a prominent switchable dielectric constant change based on a metal-free ionic crystal CrystEngComm, 2021, 23, 5306-5313
7242952	CIF	C86 H86 N36 O20	P 1 21/c 1	14.3621; 24.1237; 27.1906 90; 98.023; 90	9328.4	Higginbotham, Heather; Maniam, Subashani; Hsia, Tina; Isaacs, Lyle D.; Langford, Steven J.; Bell, Toby D. M. Self-assembled, optically-active {naphthalene diimide}U{cucurbit[8]uril} ensembles in an aqueous environment Physical Chemistry Chemical Physics, 2021
7242953	CIF	C22 H19 O4	P -1	8.9676; 8.9772; 11.5304 76.582; 77.282; 85.623	880.44	Barton, Benita; Senekal, Ulrich; Hosten, Eric C. Comparing the host behaviour of roof-shaped compounds trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid and its dimethyl ester in the presence of mixtures of xylene and ethylbenzene guests CrystEngComm, 2021, 23, 4560-4572
7242954	CIF	C22.67 H21.33 O4	P b c n	21.1712; 15.3453; 11.4218 90; 90; 90	3710.7	Barton, Benita; Senekal, Ulrich; Hosten, Eric C. Comparing the host behaviour of roof-shaped compounds trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid and its dimethyl ester in the presence of mixtures of xylene and ethylbenzene guests CrystEngComm, 2021, 23, 4560-4572
7242955	CIF	C45 H27 Cu2 F6 N2 O6	P 1 21/n 1	14.155; 10.243; 14.822 90; 114.922; 90	1949	Mahesha,; Pampa, K. J.; Karthik, C. S.; Hema, M. K.; Mallu, P.; Lokanath, N. K. Post-synthetic modification of supramolecular assemblies of β-diketonato Cu(ii) complexes: comparing and contrasting the molecular topology by crystal structure and quantum computational studies CrystEngComm, 2021, 23, 4344-4369
7242956	CIF	C30 H22 Cu F6 O5 S	P -1	8.3115; 12.3766; 14.844 68.362; 86.264; 81.552	1403.9	Mahesha,; Pampa, K. J.; Karthik, C. S.; Hema, M. K.; Mallu, P.; Lokanath, N. K. Post-synthetic modification of supramolecular assemblies of β-diketonato Cu(ii) complexes: comparing and contrasting the molecular topology by crystal structure and quantum computational studies CrystEngComm, 2021, 23, 4344-4369
7242957	CIF	C25 H18 Cu F3 N O5	P 1 21/n 1	11.688; 15.619; 12.799 90; 107.847; 90	2224.1	Mahesha,; Pampa, K. J.; Karthik, C. S.; Hema, M. K.; Mallu, P.; Lokanath, N. K. Post-synthetic modification of supramolecular assemblies of β-diketonato Cu(ii) complexes: comparing and contrasting the molecular topology by crystal structure and quantum computational studies CrystEngComm, 2021, 23, 4344-4369
7242958	CIF	C10 H16 Ag N5 O3 S2	P -4 21 m	13.1512; 13.1512; 4.3773 90; 90; 90	757.07	Ristić, Predrag; Filipović, Nenad; Blagojević, Vladimir; Ćirković, Jovana; Holló, Berta Barta; Đokić, Veljko R.; Donnard, Morgan; Gulea, Mihaela; Marjanović, Ivana; Klisurić, Olivera R.; Todorović, Tamara R. 2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior CrystEngComm, 2021, 23, 4799-4815
7242959	CIF	C10 H16 Ag Cl N4 O4 S2	P -4 21 m	13.1198; 13.1198; 4.686 90; 90; 90	806.6	Ristić, Predrag; Filipović, Nenad; Blagojević, Vladimir; Ćirković, Jovana; Holló, Berta Barta; Đokić, Veljko R.; Donnard, Morgan; Gulea, Mihaela; Marjanović, Ivana; Klisurić, Olivera R.; Todorović, Tamara R. 2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior CrystEngComm, 2021, 23, 4799-4815
7242960	CIF	C18 H24 Ag1.5 Cl1.5 N12 O6	P n n n :2	12.6128; 13.1579; 16.1737 90; 90; 90	2684.15	Ristić, Predrag; Filipović, Nenad; Blagojević, Vladimir; Ćirković, Jovana; Holló, Berta Barta; Đokić, Veljko R.; Donnard, Morgan; Gulea, Mihaela; Marjanović, Ivana; Klisurić, Olivera R.; Todorović, Tamara R. 2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior CrystEngComm, 2021, 23, 4799-4815
7242961	CIF	C12 H18 Ag N9 O4	P -1	6.6706; 10.5894; 13.5484 91.104; 99.965; 103.416	915.1	Ristić, Predrag; Filipović, Nenad; Blagojević, Vladimir; Ćirković, Jovana; Holló, Berta Barta; Đokić, Veljko R.; Donnard, Morgan; Gulea, Mihaela; Marjanović, Ivana; Klisurić, Olivera R.; Todorović, Tamara R. 2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior CrystEngComm, 2021, 23, 4799-4815
7242962	CIF	C16 H18 N2 O2 S	P 1 21/c 1	19.277; 9.64; 8.8871 90; 81.711; 90	1634.2	Wang, Pengfei; Meng, Fanda; Su, Hao; Liu, Lijie; Khan, Maroof Ahmad; Li, Hui A highly selective “turn-on” water-soluble fluorescent sensor for gallium ion detection RSC Advances, 2021, 11, 19747-19754
7242963	CIF	C15 H19 N2 O5 Re	P 1 21/n 1	10.3946; 7.1672; 22.2958 90; 94.2819; 90	1656.4	Maryunina, Kseniya; Letyagin, Gleb; Bogomyakov, Artem; Morozov, Vitaly; Tumanov, Sergey; Veber, Sergey; Fedin, Matvey; Saverina, Evgeniya; Syroeshkin, Mikhail; Egorov, Mikhail; Romanenko, Galina; Ovcharenko, Victor Re(i)-nitroxide complexes RSC Advances, 2021, 11, 19902-19907
7242964	CIF	C15 H16 N2 O5 Re	P -1	10.382; 10.503; 16.36 80.32; 80.44; 74.62	1681.6	Maryunina, Kseniya; Letyagin, Gleb; Bogomyakov, Artem; Morozov, Vitaly; Tumanov, Sergey; Veber, Sergey; Fedin, Matvey; Saverina, Evgeniya; Syroeshkin, Mikhail; Egorov, Mikhail; Romanenko, Galina; Ovcharenko, Victor Re(i)-nitroxide complexes RSC Advances, 2021, 11, 19902-19907
7242965	CIF	C15 H16 N2 O5 Re	P 1 21/n 1	17.0007; 10.2467; 20.5719 90; 110.439; 90	3358.04	Maryunina, Kseniya; Letyagin, Gleb; Bogomyakov, Artem; Morozov, Vitaly; Tumanov, Sergey; Veber, Sergey; Fedin, Matvey; Saverina, Evgeniya; Syroeshkin, Mikhail; Egorov, Mikhail; Romanenko, Galina; Ovcharenko, Victor Re(i)-nitroxide complexes RSC Advances, 2021, 11, 19902-19907
7242966	CIF	C15 H16 N2 O5 Re	P 1 21/c 1	11.8875; 10.0482; 14.1283 90; 92.488; 90	1686.01	Maryunina, Kseniya; Letyagin, Gleb; Bogomyakov, Artem; Morozov, Vitaly; Tumanov, Sergey; Veber, Sergey; Fedin, Matvey; Saverina, Evgeniya; Syroeshkin, Mikhail; Egorov, Mikhail; Romanenko, Galina; Ovcharenko, Victor Re(i)-nitroxide complexes RSC Advances, 2021, 11, 19902-19907
7242967	CIF	C15 H16 N2 O4 Re	P 1 21/c 1	6.852; 24.5256; 10.3668 90; 108.523; 90	1651.89	Maryunina, Kseniya; Letyagin, Gleb; Bogomyakov, Artem; Morozov, Vitaly; Tumanov, Sergey; Veber, Sergey; Fedin, Matvey; Saverina, Evgeniya; Syroeshkin, Mikhail; Egorov, Mikhail; Romanenko, Galina; Ovcharenko, Victor Re(i)-nitroxide complexes RSC Advances, 2021, 11, 19902-19907
7242968	CIF	C16 H14 O3	P 1 21/c 1	12.0638; 8.9307; 12.9341 90; 108.465; 90	1321.8	Abdul Salam, Abdul Ajees; T., Shilpa; Kumar S., Madan; Bankapur, Aseefhali; Sinha, Rajeev K.; Simon, Lalitha; Chidangil, Santhosh Effect of OH substitution in 3-benzylchroman-4-ones: crystallographic, CSD, DFT, FTIR, Hirshfeld surface, and energy framework analysis RSC Advances, 2021, 11, 20123-20136
7242969	CIF	C18 H18 O4	P 1 21/n 1	7.385; 27.33; 8.364 90; 115.63; 90	1522	Abdul Salam, Abdul Ajees; T., Shilpa; Kumar S., Madan; Bankapur, Aseefhali; Sinha, Rajeev K.; Simon, Lalitha; Chidangil, Santhosh Effect of OH substitution in 3-benzylchroman-4-ones: crystallographic, CSD, DFT, FTIR, Hirshfeld surface, and energy framework analysis RSC Advances, 2021, 11, 20123-20136
7242970	CIF	C32 H23 N O6 S	P -1	10.5537; 11.0474; 13.2402 114.381; 99; 101.915	1324.2	Lin, Huawei; Yang, Huimin; Gong, Qi; Luo, Shan; Gu, Jing; Cao, Xiaoqun; Mao, Biming; Ge, Yanqing; Yuan, Chunhao Construction of cyclopentane-fused coumarins via DBU-catalyzed [3+2] cycloaddition of 3-homoacyl coumarins with cyclic 1-azadienes RSC Advances, 2021, 11, 20118-20122
7242971	CIF	C21.5 H31 N O4.5	P 1 21/n 1	10.7505; 10.132; 18.7022 90; 103.122; 90	1983.93	Niu, Yuan-Yuan; Wang, Ling-Yang; Yu, Yue-Ming; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei Molecular adduct of amantadine ferulate presents a pathway for slowing in vitro/vivo releases and raising synergistic antiviral effects via dual optimization salification strategy CrystEngComm, 2021, 23, 4389-4401
7242972	CIF	C33 H19 N6 O6	P 1 21/c 1	10.7535; 8.9587; 27.8995 90; 96.321; 90	2671.4	Wang, Chen; You, Zi Xin; Xing, Yong-Heng; Bai, Feng-Ying; Shi, Zhan A three-dimensional supramolecular network structure through hydrogen bonding and π‒π interaction: synthesis, structure, and the fluorescence detection of balsalazide disodium CrystEngComm, 2021, 23, 4840-4847
7242973	CIF	C14 H7 I3 N O6	P 1 21/n 1	8.9598; 21.9155; 9.5862 90; 116.711; 90	1681.46	Wang, Chen; You, Zi Xin; Xing, Yong-Heng; Bai, Feng-Ying; Shi, Zhan A three-dimensional supramolecular network structure through hydrogen bonding and π‒π interaction: synthesis, structure, and the fluorescence detection of balsalazide disodium CrystEngComm, 2021, 23, 4840-4847
7242974	CIF	C14 H8 I2 N O6	C 1 2/c 1	14.811; 9.023; 24.11 90; 106.673; 90	3087	Wang, Chen; You, Zi Xin; Xing, Yong-Heng; Bai, Feng-Ying; Shi, Zhan A three-dimensional supramolecular network structure through hydrogen bonding and π‒π interaction: synthesis, structure, and the fluorescence detection of balsalazide disodium CrystEngComm, 2021, 23, 4840-4847
7242975	CIF	C64 H88 F12 N12 O18	P -1	11.7416; 12.0658; 15.0919 113.393; 98.517; 103.527	1837	Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V. Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure CrystEngComm, 2021, 23, 4767-4781
7242976	CIF	C19 H29 F2 N3 O6	P -1	7.664; 10.486; 15.09 74.09; 87.76; 69.95	1093.5	Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V. Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure CrystEngComm, 2021, 23, 4767-4781
7242977	CIF	C19 H29 F2 N3 O6	C 1 2/c 1	13.4328; 16.8984; 9.2577 90; 96.591; 90	2087.54	Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V. Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure CrystEngComm, 2021, 23, 4767-4781
7242978	CIF	C26 H32 F6 N6 O6	P 1 21/c 1	9.295; 14.527; 11.722 90; 109.33; 90	1493.6	Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V. Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure CrystEngComm, 2021, 23, 4767-4781
7242979	CIF	C7 H4 F3 N3 O0.5	P n a 21	13.9801; 15.5918; 3.6651 90; 90; 90	798.9	Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V. Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure CrystEngComm, 2021, 23, 4767-4781
7242980	CIF	C19 H29 Cl F N3 O6	C 1 2/c 1	27.0089; 10.124; 17.2092 90; 97.123; 90	4669.3	Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V. Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure CrystEngComm, 2021, 23, 4767-4781
7242981	CIF	C7 H5 F2 N3	P -1	7.1619; 7.5769; 7.6716 107.27; 100.818; 107.844	360.19	Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V. Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure CrystEngComm, 2021, 23, 4767-4781
7242982	CIF	C19 H28 Cl F2 N3 O6	P -1	7.3003; 9.7706; 16.622 89.928; 89.964; 75.875	1149.8	Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V. Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure CrystEngComm, 2021, 23, 4767-4781
7242983	CIF	C21 H16 Cl2 N2 O2	P -1	6.1089; 9.6567; 15.8773 87.008; 88.263; 88.159	934.49	Kikuchi, Yusuke; Matsumoto, Shinya Chlorinated diketopyrrolopyrrole dye exhibits a three-step polymorphic transition with thermosalient effects CrystEngComm, 2021, 23, 5882-5890
7242984	CIF	C21 H16 Cl2 N2 O2	P -1	7.5775; 7.9456; 16.2096 103.927; 96.226; 104.186	903.71	Kikuchi, Yusuke; Matsumoto, Shinya Chlorinated diketopyrrolopyrrole dye exhibits a three-step polymorphic transition with thermosalient effects CrystEngComm, 2021, 23, 5882-5890
7242985	CIF	C21 H16 Cl2 N2 O2	P -1	10.0941; 10.1582; 10.8283 63.183; 70.379; 80.704	933.3	Kikuchi, Yusuke; Matsumoto, Shinya Chlorinated diketopyrrolopyrrole dye exhibits a three-step polymorphic transition with thermosalient effects CrystEngComm, 2021, 23, 5882-5890
7242986	CIF	C21 H16 Cl2 N2 O2	P -1	10.0975; 10.1452; 10.8422 63.157; 70.317; 80.642	933.03	Kikuchi, Yusuke; Matsumoto, Shinya Chlorinated diketopyrrolopyrrole dye exhibits a three-step polymorphic transition with thermosalient effects CrystEngComm, 2021, 23, 5882-5890
7242987	CIF	C16 H8 Co1.2 Ni1.8 O10	P 1 21/c 1	11.7117; 12.099; 11.7979 90; 103.17; 90	1627.8	Yu, Bin-Bin; Hua, Yi-Wei; Huang, Qi; Ye, Si-Yuan; Zhang, Hao-Dong; Yan, Zheng; Li, Rui-Wen; Wu, Jun; Meng, Yan; Cao, Xuebo Two-dimensional stable and ultrathin cluster-based metal‒organic layers for efficient electrocatalytic water oxidation CrystEngComm, 2021, 23, 4700-4707
7242988	CIF	C37 H31 Br2 N O2	P -1	9.4088; 12.5525; 15.2532 71.5265; 77.3805; 71.2592	1604.3	García-González, Ma. Carmen; Navarro-Huerta, Armando; Rodríguez-Muñoz, Fanny Chantal; Vera-Alvízar, Estefanía Guadalupe; Vera Ramírez, Marco A.; Rodríguez-Hernández, Joelis; Rodríguez, Mario; Rodríguez-Molina, Braulio The design of dihalogenated TPE monoboronate complexes as mechanofluorochromic crystals CrystEngComm, 2021, 23, 5908-5917
7242989	CIF	C45 H32 B I2 N O	P -1	10.864; 12.004; 14.739 99.378; 91.705; 91.595	1894.6	García-González, Ma. Carmen; Navarro-Huerta, Armando; Rodríguez-Muñoz, Fanny Chantal; Vera-Alvízar, Estefanía Guadalupe; Vera Ramírez, Marco A.; Rodríguez-Hernández, Joelis; Rodríguez, Mario; Rodríguez-Molina, Braulio The design of dihalogenated TPE monoboronate complexes as mechanofluorochromic crystals CrystEngComm, 2021, 23, 5908-5917
7242990	CIF	C33 H22 B Cl2 F2 N O	P -1	6.0896; 9.3799; 24.4891 84.352; 86.909; 87.232	1388.7	García-González, Ma. Carmen; Navarro-Huerta, Armando; Rodríguez-Muñoz, Fanny Chantal; Vera-Alvízar, Estefanía Guadalupe; Vera Ramírez, Marco A.; Rodríguez-Hernández, Joelis; Rodríguez, Mario; Rodríguez-Molina, Braulio The design of dihalogenated TPE monoboronate complexes as mechanofluorochromic crystals CrystEngComm, 2021, 23, 5908-5917
7242991	CIF	C33 H22 B F2 I2 N O	P -1	6.2357; 9.7731; 24.6541 79.707; 88.857; 85.753	1474.2	García-González, Ma. Carmen; Navarro-Huerta, Armando; Rodríguez-Muñoz, Fanny Chantal; Vera-Alvízar, Estefanía Guadalupe; Vera Ramírez, Marco A.; Rodríguez-Hernández, Joelis; Rodríguez, Mario; Rodríguez-Molina, Braulio The design of dihalogenated TPE monoboronate complexes as mechanofluorochromic crystals CrystEngComm, 2021, 23, 5908-5917
7242992	CIF	C36 H29 I2 N O2	P -1	9.33; 12.726; 15.427 72.271; 76.816; 70.156	1625.1	García-González, Ma. Carmen; Navarro-Huerta, Armando; Rodríguez-Muñoz, Fanny Chantal; Vera-Alvízar, Estefanía Guadalupe; Vera Ramírez, Marco A.; Rodríguez-Hernández, Joelis; Rodríguez, Mario; Rodríguez-Molina, Braulio The design of dihalogenated TPE monoboronate complexes as mechanofluorochromic crystals CrystEngComm, 2021, 23, 5908-5917
7242993	CIF	C11 H9 N3	C 1 2/m 1	15.498; 7.0467; 9.0692 90; 104.821; 90	957.5	Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M. Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions CrystEngComm, 2021, 23, 4439-4443
7242994	CIF	C11 H9 N3	C 1 2/m 1	15.5861; 7.0608; 9.0691 90; 105.198; 90	963.15	Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M. Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions CrystEngComm, 2021, 23, 4439-4443
7242995	CIF	C11 H9 N3	C 1 2/m 1	15.6639; 7.0936; 9.0904 90; 105.663; 90	972.56	Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M. Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions CrystEngComm, 2021, 23, 4439-4443
7242996	CIF	C11 H9 N3	C 1 2/m 1	15.6931; 7.111; 9.0908 90; 105.856; 90	975.88	Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M. Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions CrystEngComm, 2021, 23, 4439-4443
7242997	CIF	C11 H9 N3	C 1 2/m 1	15.6264; 7.0823; 9.0843 90; 105.399; 90	969.27	Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M. Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions CrystEngComm, 2021, 23, 4439-4443
7242998	CIF	C11 H9 N3	C 1 2/m 1	15.7226; 7.1311; 9.0875 90; 106.081; 90	979.02	Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M. Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions CrystEngComm, 2021, 23, 4439-4443
7242999	CIF	C12 H11 N3	P 21 21 21	5.6685; 7.45207; 23.56855 90; 90; 90	995.584	Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M. Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions CrystEngComm, 2021, 23, 4439-4443
7243000	CIF	C12 H11 N3	P 21 21 21	5.7302; 7.415; 23.579 90; 90; 90	1001.9	Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M. Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions CrystEngComm, 2021, 23, 4439-4443
7243001	CIF	C12 H11 N3	P 21 21 21	5.67404; 7.47072; 23.5754 90; 90; 90	999.341	Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M. Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions CrystEngComm, 2021, 23, 4439-4443
7243002	CIF	C12 H11 N3	P 21 21 21	5.8323; 7.3764; 23.496 90; 90; 90	1010.8	Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M. Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions CrystEngComm, 2021, 23, 4439-4443
7243003	CIF	C12 H11 N3	P 21 21 21	5.86556; 7.46244; 23.3965 90; 90; 90	1024.1	Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M. Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions CrystEngComm, 2021, 23, 4439-4443
7243004	CIF	C12 H11 N3	P 21 21 21	5.85572; 7.39661; 23.4514 90; 90; 90	1015.74	Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M. Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions CrystEngComm, 2021, 23, 4439-4443
7243005	CIF	C12 H11 N3	P 21 21 21	5.8614; 7.42624; 23.428 90; 90; 90	1019.78	Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M. Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions CrystEngComm, 2021, 23, 4439-4443
7243006	CIF	C12 H11 N3	P 21 21 21	5.8501; 7.36978; 23.4676 90; 90; 90	1011.78	Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M. Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions CrystEngComm, 2021, 23, 4439-4443
7243007	CIF	C12 H11 N3	P 21 21 21	5.85038; 7.371; 23.4704 90; 90; 90	1012.12	Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M. Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions CrystEngComm, 2021, 23, 4439-4443
7243008	CIF	C12 H11 N3	P 21 21 21	5.83741; 7.3243; 23.48978 90; 90; 90	1004.3	Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M. Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions CrystEngComm, 2021, 23, 4439-4443
7243009	CIF	C12 H11 N3	P 21 21 21	5.8556; 7.4394; 23.4466 90; 90; 90	1021.38	Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M. Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions CrystEngComm, 2021, 23, 4439-4443
7243010	CIF	C12 H11 N3	P 21 21 21	5.82153; 7.2732; 23.5087 90; 90; 90	995.39	Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M. Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions CrystEngComm, 2021, 23, 4439-4443
7243011	CIF	C12 H11 N3	P 21 21 21	5.84375; 7.34622; 23.48048 90; 90; 90	1008.01	Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M. Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions CrystEngComm, 2021, 23, 4439-4443
7243012	CIF	C24 H22 N6	P 21 21 21	5.7261; 7.5472; 23.5464 90; 90; 90	1017.58	Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M. Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions CrystEngComm, 2021, 23, 4439-4443
7243013	CIF	C12 H11 N3	P 21 21 21	5.81332; 7.24959; 23.5153 90; 90; 90	991.03	Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M. Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions CrystEngComm, 2021, 23, 4439-4443
7243014	CIF	C12 H11 N3	P 21 21 21	5.83819; 7.32399; 23.4915 90; 90; 90	1004.47	Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M. Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions CrystEngComm, 2021, 23, 4439-4443
7243015	CIF	C12 H11 N3	P 21 21 21	5.86137; 7.42616; 23.4265 90; 90; 90	1019.7	Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M. Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions CrystEngComm, 2021, 23, 4439-4443
7243016	CIF	C12 H11 N3	P 21 21 21	5.84449; 7.34651; 23.4842 90; 90; 90	1008.33	Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M. Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions CrystEngComm, 2021, 23, 4439-4443
7243017	CIF	C12 H11 N3	P 21 21 21	5.85593; 7.39741; 23.4532 90; 90; 90	1015.96	Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M. Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions CrystEngComm, 2021, 23, 4439-4443
7243018	CIF	C12 H11 N3	P 21 21 21	5.83221; 7.30484; 23.5004 90; 90; 90	1001.2	Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M. Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions CrystEngComm, 2021, 23, 4439-4443
7243019	CIF	C12 H11 N3	P 21 21 21	5.85561; 7.3967; 23.4494 90; 90; 90	1015.65	Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M. Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions CrystEngComm, 2021, 23, 4439-4443
7243020	CIF	C12 H11 N3	P 21 21 21	5.82676; 7.28832; 23.5058 90; 90; 90	998.23	Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M. Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions CrystEngComm, 2021, 23, 4439-4443
7243021	CIF	C32 H24 Cl4 Cu2 N4 O18 S2	P 1 21/n 1	8.8064; 26.14; 8.8642 90; 94.291; 90	2034.8	Thakur, Snehasish; Gomila, Rosa M.; Frontera, Antonio; Chattopadhyay, Shouvik A theoretical insight into the formation of chalcogen bonding (ChB) interactions involving coordinated DMSO molecules as σ-hole donors and benzoate groups as σ-hole acceptors in a dinuclear copper(ii) complex CrystEngComm, 2021, 23, 5087-5096
7243022	CIF	C10.33 H7.33 Cl4 N2 O0.33 Pt	P -1	7.3163; 12.5322; 22.0934 99.217; 97.693; 94.038	1972.82	Yoshida, Masaki; Makino, Yusuke; Sasaki, Toshiyuki; Sakamoto, Shunichi; Takamizawa, Satoshi; Kobayashi, Atsushi; Kato, Masako Elastic deformability and luminescence of crystals of polyhalogenated platinum(ii)‒bipyridine complexes CrystEngComm, 2021, 23, 5891-5898
7243023	CIF	C12 H9 Cl4 N3 Pt	P 1 21/m 1	4.205; 15.1349; 11.8849 90; 92.547; 90	755.63	Yoshida, Masaki; Makino, Yusuke; Sasaki, Toshiyuki; Sakamoto, Shunichi; Takamizawa, Satoshi; Kobayashi, Atsushi; Kato, Masako Elastic deformability and luminescence of crystals of polyhalogenated platinum(ii)‒bipyridine complexes CrystEngComm, 2021, 23, 5891-5898
7243024	CIF	C13 H12 Br2 Cl2 N2 O Pt	C 1 2/m 1	17.5085; 6.8605; 14.2988 90; 94.738; 90	1711.66	Yoshida, Masaki; Makino, Yusuke; Sasaki, Toshiyuki; Sakamoto, Shunichi; Takamizawa, Satoshi; Kobayashi, Atsushi; Kato, Masako Elastic deformability and luminescence of crystals of polyhalogenated platinum(ii)‒bipyridine complexes CrystEngComm, 2021, 23, 5891-5898
7243025	CIF	C13 H12 Cl4 N2 O Pt	C 1 2/m 1	17.3962; 6.7242; 14.1075 90; 93.761; 90	1646.68	Yoshida, Masaki; Makino, Yusuke; Sasaki, Toshiyuki; Sakamoto, Shunichi; Takamizawa, Satoshi; Kobayashi, Atsushi; Kato, Masako Elastic deformability and luminescence of crystals of polyhalogenated platinum(ii)‒bipyridine complexes CrystEngComm, 2021, 23, 5891-5898
7243026	CIF	C10.33 H7.33 Br2 Cl2 N2 O0.33 Pt	P -1	7.4532; 12.7323; 22.1827 99.629; 98.186; 94.794	2041.78	Yoshida, Masaki; Makino, Yusuke; Sasaki, Toshiyuki; Sakamoto, Shunichi; Takamizawa, Satoshi; Kobayashi, Atsushi; Kato, Masako Elastic deformability and luminescence of crystals of polyhalogenated platinum(ii)‒bipyridine complexes CrystEngComm, 2021, 23, 5891-5898
7243027	CIF	C44 H38 N40 O25 Zn8	P m -3 m	27.5455; 27.5455; 27.5455 90; 90; 90	20900.3	Talha, Khalid; Alamgir,; Ahmed, Naeem; Xie, Lin-Hua; Zhang, Xin; Li, Jian-Rong Construction of a zeolite A-type multivariate metal‒organic framework for selective sensing of Fe3+ and Cr2O72− CrystEngComm, 2021, 23, 4923-4929
7243028	CIF	C25 H23 Cl2 N5 O2 Zn	C 1 2/c 1	11.749; 8.961; 25.585 90; 101.49; 90	2639.7	Wang, Yanru; Wang, Ani; Pan, Jie; Xue, Zhenzhen; Li, Jinhua; Wang, Guoming Metal‒organic complex-derived 3D porous carbon-supported g-C3N4/TiO2 as photocatalysts for the efficient degradation of antibiotic CrystEngComm, 2021, 23, 4717-4723
7243029	CIF	C29 H16 F6 N2 S	P 1 21/n 1	12.6615; 4.8528; 39.0056 90; 98.502; 90	2370.31	Kumar, Avulu Vinod; Rohullah, Mehdi; Ravi, Jada; Godumala, Mallesham; Annadhasan, Mari; Chandrasekar, Rajadurai Mechanophotonic aspects of a room temperature phosphorescent flexible organic microcrystal CrystEngComm, 2021, 23, 5774-5779
7243030	CIF	C11 H10 Cl Cu N2 S2	P 1 21/n 1	7.165; 12.9313; 13.5 90; 90.8316; 90	1250.68	Gómez-Paz, Olaya; Carballo, Rosa; Lago, Ana B.; Vázquez-López, Ezequiel M. Polymorphism in a two-dimensional copper(i) metal‒organic framework with the ligand bis(4-pyridylthio)methane CrystEngComm, 2021, 23, 4658-4666
7243031	CIF	C11 H10 Cl Cu N2 S2	P b c n	3.8383; 22.1816; 14.0252 90; 90; 90	1194.1	Gómez-Paz, Olaya; Carballo, Rosa; Lago, Ana B.; Vázquez-López, Ezequiel M. Polymorphism in a two-dimensional copper(i) metal‒organic framework with the ligand bis(4-pyridylthio)methane CrystEngComm, 2021, 23, 4658-4666
7243032	CIF	C11 H9 Cl Cu N2 S2	C 1 2/c 1	13.0329; 12.4106; 14.8895 90; 92.525; 90	2406	Gómez-Paz, Olaya; Carballo, Rosa; Lago, Ana B.; Vázquez-López, Ezequiel M. Polymorphism in a two-dimensional copper(i) metal‒organic framework with the ligand bis(4-pyridylthio)methane CrystEngComm, 2021, 23, 4658-4666
7243033	CIF	C20 H21 N O2	P -1	10.249; 11.657; 14.822 104.005; 92.306; 109.243	1608.2	Jamshaid, Sana; Mohandoss, Sonaimuthu; Lee, Yong Rok Indium(iii)-catalyzed solvent-free multicomponent [2 + 2 + 1 + 1]-annulation to polycyclic functionalized fused pyridines as potential optical chemosensors Green Chemistry, 2021, 23, 5113-5119
7243034	CIF	C18 H17 N O	P 1 21/n 1	5.8897; 19.96; 11.987 90; 103.094; 90	1372.5	Jamshaid, Sana; Mohandoss, Sonaimuthu; Lee, Yong Rok Indium(iii)-catalyzed solvent-free multicomponent [2 + 2 + 1 + 1]-annulation to polycyclic functionalized fused pyridines as potential optical chemosensors Green Chemistry, 2021, 23, 5113-5119
7243035	CIF	C23 H21 N	P b c n	11.1052; 16.1802; 9.2208 90; 90; 90	1656.8	Jamshaid, Sana; Mohandoss, Sonaimuthu; Lee, Yong Rok Indium(iii)-catalyzed solvent-free multicomponent [2 + 2 + 1 + 1]-annulation to polycyclic functionalized fused pyridines as potential optical chemosensors Green Chemistry, 2021, 23, 5113-5119
7243036	CIF	C28 H35 Cl2 Cu N4 O11	R -3 :H	24.4486; 24.4486; 29.1012 90; 90; 120	15064.3	Crespi, Ayelén F.; Sánchez, Verónica M.; Vega, Daniel; Pérez, Ana L.; Brondino, Carlos D.; Linck, Yamila Garro; Hodgkinson, Paul; Rodríguez-Castellón, Enrique; Lázaro-Martínez, Juan M. Paramagnetic solid-state NMR assignment and novel chemical conversion of the aldehyde group to dihydrogen ortho ester and hemiacetal moieties in copper(ii)- and cobalt(ii)-pyridinecarboxaldehyde complexes RSC Advances, 2021, 11, 20216-20231
7243037	CIF	C24 H20 Cl2 Co N4 O4	P 1 21/c 1	7.7191; 36.122; 8.4932 90; 92.41; 90	2366.1	Crespi, Ayelén F.; Sánchez, Verónica M.; Vega, Daniel; Pérez, Ana L.; Brondino, Carlos D.; Linck, Yamila Garro; Hodgkinson, Paul; Rodríguez-Castellón, Enrique; Lázaro-Martínez, Juan M. Paramagnetic solid-state NMR assignment and novel chemical conversion of the aldehyde group to dihydrogen ortho ester and hemiacetal moieties in copper(ii)- and cobalt(ii)-pyridinecarboxaldehyde complexes RSC Advances, 2021, 11, 20216-20231
7243038	CIF	C252 H324 Cl18 Co9 N36 O98.25	R -3 :H	24.0755; 24.0755; 29.5779 90; 90; 120	14847.3	Crespi, Ayelén F.; Sánchez, Verónica M.; Vega, Daniel; Pérez, Ana L.; Brondino, Carlos D.; Linck, Yamila Garro; Hodgkinson, Paul; Rodríguez-Castellón, Enrique; Lázaro-Martínez, Juan M. Paramagnetic solid-state NMR assignment and novel chemical conversion of the aldehyde group to dihydrogen ortho ester and hemiacetal moieties in copper(ii)- and cobalt(ii)-pyridinecarboxaldehyde complexes RSC Advances, 2021, 11, 20216-20231
7243039	CIF	C31 H20 N4 S2	P -1	10.49993; 11.00975; 12.68737 112.81; 91.4574; 109.916	1249.96	Ito, Suguru; Nagai, Sayaka; Ubukata, Takashi; Tachikawa, Takashi Multi-color mechanochromic luminescence of three polymorphic crystals of a donor‒acceptor-type benzothiadiazole derivative CrystEngComm, 2021, 23, 5899-5907
7243040	CIF	C31 H20 N4 S2	P 1 21/c 1	17.5816; 20.1048; 6.9531 90; 95.208; 90	2447.6	Ito, Suguru; Nagai, Sayaka; Ubukata, Takashi; Tachikawa, Takashi Multi-color mechanochromic luminescence of three polymorphic crystals of a donor‒acceptor-type benzothiadiazole derivative CrystEngComm, 2021, 23, 5899-5907
7243041	CIF	C31 H20 N4 S2	P 1 21/n 1	18.6467; 7.9281; 20.2852 90; 114.132; 90	2736.7	Ito, Suguru; Nagai, Sayaka; Ubukata, Takashi; Tachikawa, Takashi Multi-color mechanochromic luminescence of three polymorphic crystals of a donor‒acceptor-type benzothiadiazole derivative CrystEngComm, 2021, 23, 5899-5907
7243042	CIF	C22 H17 N3	P 1 21/n 1	14.016; 8.1673; 14.8905 90; 94.665; 90	1698.9	Bandopadhyay, Nilaj; Joshi, Mayank; Armaković, Stevan; Armaković, Sanja J.; Das, Hari Sankar; Roy Choudhury, Angshuman; Biswas, Bhaskar Unprecedented copper(ii) coordination induced nucleophilic cleavage of a quinoxaline heterocycle: structural and computational studies CrystEngComm, 2021, 23, 5078-5086
7243043	CIF	C24 H22 Cl2 Cu N2 O12	P 1 21/n 1	7.6654; 12.3371; 14.5545 90; 96.846; 90	1366.59	Bandopadhyay, Nilaj; Joshi, Mayank; Armaković, Stevan; Armaković, Sanja J.; Das, Hari Sankar; Roy Choudhury, Angshuman; Biswas, Bhaskar Unprecedented copper(ii) coordination induced nucleophilic cleavage of a quinoxaline heterocycle: structural and computational studies CrystEngComm, 2021, 23, 5078-5086
7243044	CIF	C31 H19 N2 O	P -1	8.459; 10.258; 13.519 107.813; 96.028; 91.195	1108.9	Zeng, Fei; Tang, Lin-Li; Liao, Juan; Ding, Man-Hua; Ou, Guang-Chuan Formation of sandwich, macrocyclic and box supramolecular assemblies that were controlled by the distance of two oxygen atoms in hydrogen bonding donors CrystEngComm, 2021, 23, 4901-4904
7243045	CIF	C34 H22 N2 O2	P 1 21/c 1	5.6736; 25.031; 18.519 90; 105.22; 90	2537.7	Zeng, Fei; Tang, Lin-Li; Liao, Juan; Ding, Man-Hua; Ou, Guang-Chuan Formation of sandwich, macrocyclic and box supramolecular assemblies that were controlled by the distance of two oxygen atoms in hydrogen bonding donors CrystEngComm, 2021, 23, 4901-4904
7243046	CIF	C38 H24 N2 O2	P -1	9.934; 11.169; 14.409 81.527; 72.017; 66.137	1390.2	Zeng, Fei; Tang, Lin-Li; Liao, Juan; Ding, Man-Hua; Ou, Guang-Chuan Formation of sandwich, macrocyclic and box supramolecular assemblies that were controlled by the distance of two oxygen atoms in hydrogen bonding donors CrystEngComm, 2021, 23, 4901-4904
7243047	CIF	C52 H28 Mn3 N6 O12	P 1 21/n 1	9.633; 25.6233; 10.1786 90; 101.978; 90	2457.7	Zhou, Chuan-Cong; Liu, Hou-Ting; Ding, Li; Lu, Jing; Wang, Su-Na; Li, Yun-Wu Proton conductivities of four low dimensional MOFs: affected by the amount of chelated ligands CrystEngComm, 2021, 23, 5106-5115
7243048	CIF	C28 H44 N2 Ni3 O28	P -1	7.0276; 11.7785; 13.2567 114.548; 94.882; 103.487	949.8	Zhou, Chuan-Cong; Liu, Hou-Ting; Ding, Li; Lu, Jing; Wang, Su-Na; Li, Yun-Wu Proton conductivities of four low dimensional MOFs: affected by the amount of chelated ligands CrystEngComm, 2021, 23, 5106-5115
7243049	CIF	C48 H28 Mn3 N6 O12	P -1	9.6405; 10.1868; 12.8047 76.922; 70.96; 78.692	1147.62	Zhou, Chuan-Cong; Liu, Hou-Ting; Ding, Li; Lu, Jing; Wang, Su-Na; Li, Yun-Wu Proton conductivities of four low dimensional MOFs: affected by the amount of chelated ligands CrystEngComm, 2021, 23, 5106-5115
7243050	CIF	C40 H44 Co3 N4 O24	P 1 21/n 1	8.0999; 27.363; 20.2667 90; 96.328; 90	4464.5	Zhou, Chuan-Cong; Liu, Hou-Ting; Ding, Li; Lu, Jing; Wang, Su-Na; Li, Yun-Wu Proton conductivities of four low dimensional MOFs: affected by the amount of chelated ligands CrystEngComm, 2021, 23, 5106-5115
7243051	CIF	C22 H14	P 1 21/c 1	16.9; 5.571; 16.42 90; 96.441; 90	1536.2	Shen, Yue; Wang, Shiyin; Zhang, Xiangyu; Li, Nan; Liu, Haichao; Yang, Bing Supramolecular complex strategy for pure organic multi-color luminescent materials and stimuli-responsive luminescence switching CrystEngComm, 2021, 23, 5918-5924
7243052	CIF	C37 H17 N6	P 1 21/c 1	9.7595; 7.9919; 36.1641 90; 91.478; 90	2819.8	Shen, Yue; Wang, Shiyin; Zhang, Xiangyu; Li, Nan; Liu, Haichao; Yang, Bing Supramolecular complex strategy for pure organic multi-color luminescent materials and stimuli-responsive luminescence switching CrystEngComm, 2021, 23, 5918-5924
7243053	CIF	C32 H14 F8	P 1 21/c 1	6.8012; 24.7708; 14.5619 90; 101.513; 90	2403.9	Shen, Yue; Wang, Shiyin; Zhang, Xiangyu; Li, Nan; Liu, Haichao; Yang, Bing Supramolecular complex strategy for pure organic multi-color luminescent materials and stimuli-responsive luminescence switching CrystEngComm, 2021, 23, 5918-5924
7243054	CIF	C36 H38 Br2 N4 O2	P 1 21/c 1	8.30793; 15.8271; 25.9265 90; 92.478; 90	3405.9	Xu, Zixuan; Su, Linhan; Chen, Xiaofen; Yang, Ying A novel ionic AIE smart responsive material with multiple structural transformations RSC Advances, 2021, 11, 20911-20915
7243055	CIF	C15 H24 O5	P 1 21/c 1	16.7684; 7.5872; 12.5827 90; 93.71; 90	1597.48	Saget, Raphaël; Jaunky, Piotr; Duñach, Elisabet Bi(OTf)3-catalysed intramolecular cyclisation of unsaturated acetals RSC Advances, 2021, 11, 21066-21072
7243056	CIF	C22 H26 N2 O3 S	P 1 21/c 1	12.8677; 9.6306; 16.3003 90; 92.7196; 90	2017.7	Okura, Ryuhei; Uchiyama, Hiromasa; Kadota, Kazunori; Tozuka, Yuichi Hydrogen bonding from crystalline water mediates the hydration/dehydration of mequitazine glycolate CrystEngComm, 2021, 23, 4816-4824
7243057	CIF	C22 H26 N2 O3 S	P 1 21/c 1	13.0245; 9.6841; 16.368 90; 92.7266; 90	2062.2	Okura, Ryuhei; Uchiyama, Hiromasa; Kadota, Kazunori; Tozuka, Yuichi Hydrogen bonding from crystalline water mediates the hydration/dehydration of mequitazine glycolate CrystEngComm, 2021, 23, 4816-4824
7243058	CIF	C17 H10 O4 S2	P -1	5.778; 13.713; 16.811 81.532; 81.28; 86.7	1301.4	Gao, Xiang-Yu; Li, Yu-Lin; Liu, Tian-Fu; Huang, Xin-Song; Cao, Rong Single-crystal-to-single-crystal transformation of tetrathiafulvalene-based hydrogen-bonded organic frameworks CrystEngComm, 2021, 23, 4743-4747
7243059	CIF	C34 H20 O8 S4	P -1	8.4537; 14.128; 18.021 106.291; 97.991; 103.267	1962.5	Gao, Xiang-Yu; Li, Yu-Lin; Liu, Tian-Fu; Huang, Xin-Song; Cao, Rong Single-crystal-to-single-crystal transformation of tetrathiafulvalene-based hydrogen-bonded organic frameworks CrystEngComm, 2021, 23, 4743-4747
7243060	CIF	C34 H20 O8 S4	P -1	8.301; 18.954; 20.558 114.88; 96.22; 95.19	2884	Gao, Xiang-Yu; Li, Yu-Lin; Liu, Tian-Fu; Huang, Xin-Song; Cao, Rong Single-crystal-to-single-crystal transformation of tetrathiafulvalene-based hydrogen-bonded organic frameworks CrystEngComm, 2021, 23, 4743-4747
7243061	CIF	C262.38 H275.18 N18 O85.27 Rb3.98	I 41	57.3567; 57.3567; 29.225 90; 90; 90	96144	Mizuno, Asato; Shuku, Yoshiaki; Suizu, Rie; Tsuchiizu, Masahisa; Awaga, Kunio 3D supramolecular chiral crystal structures of radical anion salts of (−)-NDI-Δ and possible magnetic phase diagrams CrystEngComm, 2021, 23, 5053-5059
7243062	CIF	C20 H14 N2 O S	P 1 21/n 1	3.8618; 33.708; 11.8039 90; 98.934; 90	1517.9	Charpe, Vaibhav Pramod; Ragupathi, Ayyakkannu; Sagadevan, Arunachalam; Hwang, Kuo Chu Photoredox synthesis of functionalized quinazolines via copper-catalyzed aerobic oxidative Csp2‒H annulation of amidines with terminal alkynes Green Chemistry, 2021, 23, 5024-5030
7243063	CIF	C21 H18 N2 O2 S	P 1 21/c 1	9.3403; 17.0872; 10.882 90; 106.207; 90	1667.74	Charpe, Vaibhav Pramod; Ragupathi, Ayyakkannu; Sagadevan, Arunachalam; Hwang, Kuo Chu Photoredox synthesis of functionalized quinazolines via copper-catalyzed aerobic oxidative Csp2‒H annulation of amidines with terminal alkynes Green Chemistry, 2021, 23, 5024-5030
7243064	CIF	C22 H15 Cl N2 O2	P 1 21/n 1	14.02; 8.187; 15.972 90; 104.692; 90	1773.4	Charpe, Vaibhav Pramod; Ragupathi, Ayyakkannu; Sagadevan, Arunachalam; Hwang, Kuo Chu Photoredox synthesis of functionalized quinazolines via copper-catalyzed aerobic oxidative Csp2‒H annulation of amidines with terminal alkynes Green Chemistry, 2021, 23, 5024-5030
7243065	CIF	C16 H11 N O4	P b c a	18.517; 6.9182; 38.2895 90; 90; 90	4905.05	Bashir, Muhammad Adnan; Zhang, Yulong; Yu, Huaibin; Wang, Bofei; Zhao, Weining; Zhong, Fangrui Bimetallic copper/cobalt-cocatalyzed double aerobic phenol oxidation/cyclization toward π-extended benzofuro[2,3-b]indoles as electron donors for electroluminescence Green Chemistry, 2021, 23, 5031-5036
7243066	CIF	C24 H22 Si2	P 21 21 21	7.7979; 36.7369; 14.1416 90; 90; 90	4051.15	Kumar, Vipin B.; Fleming, Cassandra L.; Murali, Sai Shruthi; Hume, Paul A.; Davis, Nathaniel J. L. K.; Söhnel, Tilo; Leitao, Erin M. The photophysical properties of naphthalene bridged disilanes RSC Advances, 2021, 11, 21343-21350
7243067	CIF	C24 H24 Si2	P 1 21/n 1	9.2512; 18.1877; 12.5609 90; 104.094; 90	2049.85	Kumar, Vipin B.; Fleming, Cassandra L.; Murali, Sai Shruthi; Hume, Paul A.; Davis, Nathaniel J. L. K.; Söhnel, Tilo; Leitao, Erin M. The photophysical properties of naphthalene bridged disilanes RSC Advances, 2021, 11, 21343-21350
7243068	CIF	C14 H16 N2 O6	P 1 21/c 1	8.4828; 12.528; 6.6496 90; 92.535; 90	706	Singh, Abhishek; Singh, Reman Kumar; Patwari, G. Naresh Hierarchy of π-stacking determines the conformational preferences of bis-squaramates CrystEngComm, 2021, 23, 5331-5336
7243069	CIF	C10 H9 N2 O7	P 1 21/c 1	11.8489; 15.6629; 11.8621 90; 93.465; 90	2197.44	Singh, Abhishek; Singh, Reman Kumar; Patwari, G. Naresh Hierarchy of π-stacking determines the conformational preferences of bis-squaramates CrystEngComm, 2021, 23, 5331-5336
7243070	CIF	C14 H16 N2 O6	P -1	7.8262; 9.1203; 10.2647 79.094; 86.345; 79.409	706.86	Singh, Abhishek; Singh, Reman Kumar; Patwari, G. Naresh Hierarchy of π-stacking determines the conformational preferences of bis-squaramates CrystEngComm, 2021, 23, 5331-5336
7243071	CIF	C12 H12 N2 O6	C 1 2/c 1	9.8568; 10.1633; 12.2811 90; 101.617; 90	1205.09	Singh, Abhishek; Singh, Reman Kumar; Patwari, G. Naresh Hierarchy of π-stacking determines the conformational preferences of bis-squaramates CrystEngComm, 2021, 23, 5331-5336
7243072	CIF	C15 H18 N2 O6	P -1	8.4804; 13.0556; 13.3103 84.028; 86.103; 89.868	1462.27	Singh, Abhishek; Singh, Reman Kumar; Patwari, G. Naresh Hierarchy of π-stacking determines the conformational preferences of bis-squaramates CrystEngComm, 2021, 23, 5331-5336
7243073	CIF	C4 H17 N23 O	P -1	7.4436; 10.1464; 11.1808 89.53; 74.805; 86.082	812.97	Liu, Yifei; Dong, Zhen; Yang, Rui; Li, Haiyan; Liu, Yaxin; Ye, Zhiwen Imino-bridged N-rich energetic materials: C4H3N17 and their derivatives assembled from the powerful combination of four tetrazoles CrystEngComm, 2021, 23, 5377-5384
7243074	CIF	C4 H19 N21 O6	P -1	7.3804; 11.4595; 11.8445 64.029; 81.549; 89.905	888.6	Liu, Yifei; Dong, Zhen; Yang, Rui; Li, Haiyan; Liu, Yaxin; Ye, Zhiwen Imino-bridged N-rich energetic materials: C4H3N17 and their derivatives assembled from the powerful combination of four tetrazoles CrystEngComm, 2021, 23, 5377-5384
7243075	CIF	C4 H10 N19 Na O	P -1	9.5686; 9.5808; 9.5851 81.051; 81.699; 60.468	752.9	Liu, Yifei; Dong, Zhen; Yang, Rui; Li, Haiyan; Liu, Yaxin; Ye, Zhiwen Imino-bridged N-rich energetic materials: C4H3N17 and their derivatives assembled from the powerful combination of four tetrazoles CrystEngComm, 2021, 23, 5377-5384
7243076	CIF	C8 H15 N17 O2 S2	C 1 2 1	13.226; 10.403; 7.7069 90; 117.138; 90	943.7	Liu, Yifei; Dong, Zhen; Yang, Rui; Li, Haiyan; Liu, Yaxin; Ye, Zhiwen Imino-bridged N-rich energetic materials: C4H3N17 and their derivatives assembled from the powerful combination of four tetrazoles CrystEngComm, 2021, 23, 5377-5384
7243077	CIF	C7 H14 N17 Na O3	P -1	7.2417; 10.6666; 11.9926 77.757; 85.569; 80.379	891.72	Liu, Yifei; Dong, Zhen; Yang, Rui; Li, Haiyan; Liu, Yaxin; Ye, Zhiwen Imino-bridged N-rich energetic materials: C4H3N17 and their derivatives assembled from the powerful combination of four tetrazoles CrystEngComm, 2021, 23, 5377-5384
7243078	CIF	C7 H18 N26	P -1	7.234; 10.5985; 13.966 70.681; 89.167; 71.541	953.6	Liu, Yifei; Dong, Zhen; Yang, Rui; Li, Haiyan; Liu, Yaxin; Ye, Zhiwen Imino-bridged N-rich energetic materials: C4H3N17 and their derivatives assembled from the powerful combination of four tetrazoles CrystEngComm, 2021, 23, 5377-5384
7243079	CIF	C21 H18 N2	P 1 21/n 1	15.6432; 13.2799; 17.6411 90; 114.078; 90	3345.9	Luo, Zhenli; Pan, Yixiao; Yao, Zhen; Yang, Ji; Zhang, Xin; Liu, Xintong; Xu, Lijin; Fan, Qing-Hua BF3·Et2O as a metal-free catalyst for direct reductive amination of aldehydes with amines using formic acid as a reductant Green Chemistry, 2021, 23, 5205-5211
7243080	CIF	C12 H13 N3 O9	P 1 21/c 1	10.8226; 13.7338; 9.9166 90; 106.482; 90	1413.4	Garg, Utsav; Azim, Yasser; Alam, Mahboob In acid-aminopyrimidine continuum: experimental and computational studies of furan tetracarboxylate-2-aminopyrimidinium salt RSC Advances, 2021, 11, 21463-21474
7243081	CIF	C33 H50 Cl4 Fe2 N8 O3	P c c n	17.8183; 23.7713; 9.3271 90; 90; 90	3950.6	Balamurugan, Mani; Suresh, Eringathodi; Palaniandavar, Mallayan μ-Oxo-bridged diiron(iii) complexes of tripodal 4N ligands as catalysts for alkane hydroxylation reaction using m-CPBA as an oxidant: substrate vs. self hydroxylation RSC Advances, 2021, 11, 21514-21526
7243082	CIF	C28 H63 Cl4 Fe2 N12 O	P 1 21/n 1	17.8072; 15.7838; 17.8744 90; 116.311; 90	4503.4	Balamurugan, Mani; Suresh, Eringathodi; Palaniandavar, Mallayan μ-Oxo-bridged diiron(iii) complexes of tripodal 4N ligands as catalysts for alkane hydroxylation reaction using m-CPBA as an oxidant: substrate vs. self hydroxylation RSC Advances, 2021, 11, 21514-21526
7243083	CIF	C32 H20 Ge N2 O4	P 1 21 1	6.0837; 15.6412; 13.3288 90; 98.927; 90	1253	Shangin, Pavel G.; Krylova, Irina V.; Lalov, Andrey V.; Kozmenkova, Anna Y.; Saverina, Evgeniya A.; Buikin, Petr A.; Korlyukov, Alexander A.; Starikova, Alyona A.; Nikolaevskaya, Elena N.; Egorov, Mikhail P.; Syroeshkin, Mikhail A. Supramolecular D⋯A-layered structures based on germanium complexes with 2,3-dihydroxynaphthalene and N,N′-bidentate ligands RSC Advances, 2021, 11, 21527-21536
7243084	CIF	C14 H13 N3 O4 S	P n a 21	11.443; 25.579; 5.1731 90; 90; 90	1514.2	Hazarika, Pragyan J.; Gupta, Poonam; Gunnam, Anilkumar; Allu, Suryanarayana; Nangia, Ashwini K.; Nath, Naba K. Photomechanical response of sulfonylhydrazone molecular crystals CrystEngComm, 2021, 23, 4910-4916
7243085	CIF	C14 H14 N2 O2 S	P 1 21/c 1	11.54; 5.32; 22.8 90; 100.001; 90	1378.5	Hazarika, Pragyan J.; Gupta, Poonam; Gunnam, Anilkumar; Allu, Suryanarayana; Nangia, Ashwini K.; Nath, Naba K. Photomechanical response of sulfonylhydrazone molecular crystals CrystEngComm, 2021, 23, 4910-4916
7243086	CIF	C14 H13 N3 O4 S	P -1	5.6676; 10.5227; 12.1824 93.86; 94.947; 98.214	714.07	Hazarika, Pragyan J.; Gupta, Poonam; Gunnam, Anilkumar; Allu, Suryanarayana; Nangia, Ashwini K.; Nath, Naba K. Photomechanical response of sulfonylhydrazone molecular crystals CrystEngComm, 2021, 23, 4910-4916
7243087	CIF	C14 H13 N3 O4 S	P 1 21/c 1	20.0412; 10.228; 15.0199 90; 102.816; 90	3002.1	Hazarika, Pragyan J.; Gupta, Poonam; Gunnam, Anilkumar; Allu, Suryanarayana; Nangia, Ashwini K.; Nath, Naba K. Photomechanical response of sulfonylhydrazone molecular crystals CrystEngComm, 2021, 23, 4910-4916
7243088	CIF	C24 H27.5 N2 O	P -1	11.9297; 12.924; 13.666 75.136; 78.644; 89.902	1994	Hu, Fangzhi; Wang, Liang; Ge, Chunyan; Li, Xinyao; Ding, Zhanshuai; Xu, Lubin; Li, Shuai-Shuai Divergent α-functionalization of cyclic amines via ring construction by molecular O2 oxidized dearomatization and ring deconstruction by aromatization-driven C–C σ-bond cleavage Green Chemistry, 2021, 23, 5535-5541
7243089	CIF	C25 H34 N2 O2	R -3 :H	34.3408; 34.3408; 10.4316 90; 90; 120	10653.7	Hu, Fangzhi; Wang, Liang; Ge, Chunyan; Li, Xinyao; Ding, Zhanshuai; Xu, Lubin; Li, Shuai-Shuai Divergent α-functionalization of cyclic amines via ring construction by molecular O2 oxidized dearomatization and ring deconstruction by aromatization-driven C‒C σ-bond cleavage Green Chemistry, 2021, 23, 5535-5541
7243090	CIF	C21 H25 Cl N2 O	P 1 21/c 1	15.3242; 13.8242; 9.0303 90; 104.165; 90	1854.86	Hu, Fangzhi; Wang, Liang; Ge, Chunyan; Li, Xinyao; Ding, Zhanshuai; Xu, Lubin; Li, Shuai-Shuai Divergent α-functionalization of cyclic amines via ring construction by molecular O2 oxidized dearomatization and ring deconstruction by aromatization-driven C‒C σ-bond cleavage Green Chemistry, 2021, 23, 5535-5541
7243091	CIF	B5 H12 N O12	A e a 2	11.3246; 11.0147; 9.1513 90; 90; 90	1141.51	Kusy, Rafał; Grela, Karol Ligand-free (Z)-selective transfer semihydrogenation of alkynes catalyzed by in situ generated oxidizable copper nanoparticles Green Chemistry, 2021, 23, 5494-5502
7243092	CIF	C21 H17 N3 O2 S2	P -1	7.4642; 11.1508; 11.6693 92.468; 98.297; 99.779	944.85	Cao, Xian-Ting; Wei, Su-Ning; Sun, Hao-Tian; Li, Meng; Zheng, Zuo-Ling; Wang, Guannan Iridium-catalyzed regioselective C‒H sulfonamidation of 1,2,4-thiadiazoles with sulfonyl azides in water RSC Advances, 2021, 11, 22000-22004
7243093	CIF	C48 H30 Co2 N14 O14	P -1	10.1573; 12.9967; 17.941 106.658; 94.168; 92.148	2258.8	Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tseng, Kuo-Yang; Hong, Yu-Xian; Huang, Guang-Cheng Bent-bis(triazolyl)-based coordination polymers tuned by dicarboxylate ligands: syntheses, structures and properties CrystEngComm, 2021, 23, 5293-5305
7243094	CIF	C30 H24 Cd N6 O9 S	P 1 21/c 1	6.0668; 25.6268; 19.263 90; 93.306; 90	2989.9	Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tseng, Kuo-Yang; Hong, Yu-Xian; Huang, Guang-Cheng Bent-bis(triazolyl)-based coordination polymers tuned by dicarboxylate ligands: syntheses, structures and properties CrystEngComm, 2021, 23, 5293-5305
7243095	CIF	C31.25 H27.25 N6.25 O8.25 Zn	P -1	10.2125; 11.4153; 15.21 95.508; 102.091; 104.351	1659.1	Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tseng, Kuo-Yang; Hong, Yu-Xian; Huang, Guang-Cheng Bent-bis(triazolyl)-based coordination polymers tuned by dicarboxylate ligands: syntheses, structures and properties CrystEngComm, 2021, 23, 5293-5305
7243096	CIF	C24 H24 Cd N6 O6	C 1 2/c 1	27.066; 8; 23.551 90; 109.498; 90	4807	Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tseng, Kuo-Yang; Hong, Yu-Xian; Huang, Guang-Cheng Bent-bis(triazolyl)-based coordination polymers tuned by dicarboxylate ligands: syntheses, structures and properties CrystEngComm, 2021, 23, 5293-5305
7243097	CIF	C25 H17 N7 O6 Zn	P 1 21/c 1	16.038; 8.955; 17.558 90; 111.217; 90	2350.8	Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tseng, Kuo-Yang; Hong, Yu-Xian; Huang, Guang-Cheng Bent-bis(triazolyl)-based coordination polymers tuned by dicarboxylate ligands: syntheses, structures and properties CrystEngComm, 2021, 23, 5293-5305
7243098	CIF	C24 H17 N7 O8 Zn	P -1	7.2333; 9.681; 17.5939 98.331; 98.781; 103.468	1163.04	Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tseng, Kuo-Yang; Hong, Yu-Xian; Huang, Guang-Cheng Bent-bis(triazolyl)-based coordination polymers tuned by dicarboxylate ligands: syntheses, structures and properties CrystEngComm, 2021, 23, 5293-5305
7243099	CIF	C34 H26 Cd2 N6 O10	P 1 21/n 1	7.8677; 25.794; 16.371 90; 95.172; 90	3308.8	Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tseng, Kuo-Yang; Hong, Yu-Xian; Huang, Guang-Cheng Bent-bis(triazolyl)-based coordination polymers tuned by dicarboxylate ligands: syntheses, structures and properties CrystEngComm, 2021, 23, 5293-5305
7243100	CIF	B12 H13 K O25	P a -3	12.243; 12.243; 12.243 90; 90; 90	1835.1	Qiu, Qi-Ming; Yang, Guo-Yu From [B6O13]8− to [GaB5O13]8− to [Ga{B5O9(OH)}{BO(OH)2}]2−: synthesis, structure and nonlinear optical properties of new metal borates CrystEngComm, 2021, 23, 5200-5207
7243101	CIF	B6 Cs Ga H3 Na O13	P -1	7.027; 8.039; 11.442 108.567; 93.633; 90.442	611.2	Qiu, Qi-Ming; Yang, Guo-Yu From [B6O13]8− to [GaB5O13]8− to [Ga{B5O9(OH)}{BO(OH)2}]2−: synthesis, structure and nonlinear optical properties of new metal borates CrystEngComm, 2021, 23, 5200-5207
7243102	CIF	C2 H10 B5 Ga N2 O10	P 1 c 1	6.686; 8.082; 10.485 90; 97.192; 90	562.1	Qiu, Qi-Ming; Yang, Guo-Yu From [B6O13]8− to [GaB5O13]8− to [Ga{B5O9(OH)}{BO(OH)2}]2−: synthesis, structure and nonlinear optical properties of new metal borates CrystEngComm, 2021, 23, 5200-5207
7243103	CIF	C52 H44 N8 O14 S2 Zn2	P -1	11.9101; 14.8958; 16.5644 106.243; 109.77; 96.022	2589.55	Wang, Xiuli; Ma, Jianxin; Xu, Na; Wang, Yue; Sun, Jiayu; Liu, Guocheng Three Zn(ii) coordination polymers constructed with a new amide-thiophene-derived bis-pyridyl ligand as ultrasensitive luminescent sensors for Hg(ii) and purines CrystEngComm, 2021, 23, 4760-4766
7243104	CIF	C27 H22 N4 O6 S Zn	P -1	10.0385; 11.1557; 12.4792 79.339; 80.212; 68.539	1270.1	Wang, Xiuli; Ma, Jianxin; Xu, Na; Wang, Yue; Sun, Jiayu; Liu, Guocheng Three Zn(ii) coordination polymers constructed with a new amide-thiophene-derived bis-pyridyl ligand as ultrasensitive luminescent sensors for Hg(ii) and purines CrystEngComm, 2021, 23, 4760-4766
7243105	CIF	C26 H20 N4 O7 S Zn	P -1	9.8851; 10.896; 12.2041 82.082; 80.528; 68.643	1203.18	Wang, Xiuli; Ma, Jianxin; Xu, Na; Wang, Yue; Sun, Jiayu; Liu, Guocheng Three Zn(ii) coordination polymers constructed with a new amide-thiophene-derived bis-pyridyl ligand as ultrasensitive luminescent sensors for Hg(ii) and purines CrystEngComm, 2021, 23, 4760-4766
7243106	CIF	C12 H28 N2 Ni O2	P b c a	7.2917; 10.6849; 17.7929 90; 90; 90	1386.26	Wilson, Rachel L.; Macdonald, Thomas J.; Lin, Chieh-Ting; Xu, Shengda; Taylor, Alaric; Knapp, Caroline E.; Guldin, Stefan; McLachlan, Martyn A.; Carmalt, Claire J.; Blackman, Chris S. Chemical vapour deposition (CVD) of nickel oxide using the novel nickel dialkylaminoalkoxide precursor [Ni(dmamp′)2] (dmamp′ = 2-dimethylamino-2-methyl-1-propanolate) RSC Advances, 2021, 11, 22199-22205
7243107	CIF	C43 H72 N9 O9.5	P 1	12.2116; 14.5632; 14.5319 67.762; 86.941; 84.111	2379.2	Köhler, Linda; Hübler, Conrad; Seichter, Wilhelm; Mazik, Monika Binding modes of methyl α-d-glucopyranoside to an artificial receptor in crystalline complexes RSC Advances, 2021, 11, 22221-22229
7243108	CIF	C6 H8 Br2 Cu N2	P m m n :2	8.3552; 8.5782; 6.6959 90; 90; 90	479.91	Ding, Fei; Yang, Chuanlu; Gong, Xiangnan; Zheng, Hui; Zhou, Xiaoyu; Li, Lingli; Zhang, Lichun; Wang, Dehua; Pan, Bingying Structure, phase transition and properties of the one-dimensional antiferromagnet Cu(2,6-dimethylpyrazine)Br2 RSC Advances, 2021, 11, 22565-22570
7243109	CIF	C6 H8 Br2 Cu N2	P 1 21/n 1	10.2576; 8.3613; 11.2178 90; 102.982; 90	937.52	Ding, Fei; Yang, Chuanlu; Gong, Xiangnan; Zheng, Hui; Zhou, Xiaoyu; Li, Lingli; Zhang, Lichun; Wang, Dehua; Pan, Bingying Structure, phase transition and properties of the one-dimensional antiferromagnet Cu(2,6-dimethylpyrazine)Br2 RSC Advances, 2021, 11, 22565-22570
7243110	CIF	Bi2 Ni2 O10 P2	P -1	7.4211; 6.5606; 5.1633 83.817; 110.727; 123.412	195.03	Colmont, Marie; Zadoya, Anastasiya; Darie, Céline; Domingos, Cyril; Leclercq, Bastien; Mentré, Olivier Direct Bi3±-Bi3+ contacts mediated by lone pairs in the HP-BiNiO(PO4) polymorph CrystEngComm, 2021, 23, 5124-5130
7243111	CIF	C47 H33 Cl N2	P -1	9.4495; 11.2688; 18.2721 73.315; 82.268; 74.353	1791.27	Nagarasu, Palaniyappan; Kundu, Anu; Thiruvenkatam, Vijay; Raghavaiah, Pallepogu; Anthony, Savarimuthu Philip; Madhu, Vedichi Investigating the structure‒fluorescence properties of tetraphenylethylene fused imidazole AIEgens: reversible mechanofluorochromism and polymer matrix controlled fluorescence tuning CrystEngComm, 2021, 23, 5403-5410
7243112	CIF	C47 H34 N2	P -1	9.397; 10.5684; 19.829 100.913; 91.886; 113.365	1762.3	Nagarasu, Palaniyappan; Kundu, Anu; Thiruvenkatam, Vijay; Raghavaiah, Pallepogu; Anthony, Savarimuthu Philip; Madhu, Vedichi Investigating the structure‒fluorescence properties of tetraphenylethylene fused imidazole AIEgens: reversible mechanofluorochromism and polymer matrix controlled fluorescence tuning CrystEngComm, 2021, 23, 5403-5410
7243113	CIF	C47 H33 F N2	P -1	9.3263; 10.8791; 19.822 98.441; 94.465; 114.358	1790.8	Nagarasu, Palaniyappan; Kundu, Anu; Thiruvenkatam, Vijay; Raghavaiah, Pallepogu; Anthony, Savarimuthu Philip; Madhu, Vedichi Investigating the structure‒fluorescence properties of tetraphenylethylene fused imidazole AIEgens: reversible mechanofluorochromism and polymer matrix controlled fluorescence tuning CrystEngComm, 2021, 23, 5403-5410
7243114	CIF	C71 H72 Cd7 N12 O49	C 1 2 1	29.6992; 14.6641; 25.7385 90; 108.808; 90	10610.9	Li, Yang; Chen, Shumei; Xu, Zhong-Xuan; Wu, Xin; Zhang, Huabin; Zhang, Jian Asymmetric metal‒organic frameworks with double helices for enantioselective recognition CrystEngComm, 2021, 23, 4748-4751
7243115	CIF	C72 H72 Cd7 N12 O49	C 1 2 1	29.771; 14.658; 25.708 90; 108.927; 90	10612	Li, Yang; Chen, Shumei; Xu, Zhong-Xuan; Wu, Xin; Zhang, Huabin; Zhang, Jian Asymmetric metal‒organic frameworks with double helices for enantioselective recognition CrystEngComm, 2021, 23, 4748-4751
7243116	CIF	C44 H26 F9 N4 O6 Y	P n a 21	21.53; 10.926; 18.35 90; 90; 90	4317	Cen, Peipei; He, Zixin; Ding, Runmei; Yang, Huifang; Li, Li; Zhang, Yi-Quan; Li, Yonghong; Tian, Danian; Liu, Xiangyu Modulating the slow magnetic relaxation of a mononuclear Dy(iii) single-molecule magnet via a magnetic field and dilution effects CrystEngComm, 2021, 23, 5443-5450
7243117	CIF	C44 H26 F9 N4 O6 Y	P n a 21	21.3258; 10.8147; 17.9497 90; 90; 90	4139.8	Cen, Peipei; He, Zixin; Ding, Runmei; Yang, Huifang; Li, Li; Zhang, Yi-Quan; Li, Yonghong; Tian, Danian; Liu, Xiangyu Modulating the slow magnetic relaxation of a mononuclear Dy(iii) single-molecule magnet via a magnetic field and dilution effects CrystEngComm, 2021, 23, 5443-5450
7243118	CIF	C32 H36 Cu2 N4 O8	P -1	8.5547; 9.8407; 10.2731 113.733; 99.453; 92.307	775.51	Mukherjee, Debojyoti; Nag, Probal; Shteinman, Albert A.; Vennapusa, Sivaranjana Reddy; Mandal, Ujjwal; Mitra, Mainak Catechol oxidation promoted by bridging phenoxo moieties in a bis(μ-phenoxo)-bridged dicopper(ii) complex RSC Advances, 2021, 11, 22951-22959
7243119	CIF	C16 H15 I O2 S	P 21 21 21	5.4771; 9.0324; 31.6646 90; 90; 90	1566.49	Lin, Li; Yang, Zhonglie; Liu, Jianchen; Wang, Jingxia; Zheng, Jiale; Li, Jun-Long; Zhang, Xiaobin; Liu, Xiang-Wei; Jiang, Hezhong; Li, Jiahong Visible-light-induced surfactant-promoted sulfonylation of alkenes and alkynes with sulfonyl chloride by the formation of an EDA-complex with NaI in water at room temperature Green Chemistry, 2021, 23, 5467-5473
7243120	CIF	C60 H53 Cl N4 Ni4 O12	P 1 21/c 1	16.831; 23.697; 14.715 90; 92.577; 90	5863.1	Kushvaha, Saroj Kumar; Francis, Maria; Kumar, Jayasree; Nag, Ekta; Ravichandran, Prathap; Roy, Sudipta; Chandra Mondal, Kartik Synthesis, oligomerization and catalytic studies of a redox-active Ni4-cubane: a detailed mechanistic investigation RSC Advances, 2021, 11, 22849-22858
7243121	CIF	C16 H16 O2	P 1 21/c 1	11.421; 15.783; 7.4458 90; 93.411; 90	1339.8	Kushvaha, Saroj Kumar; Francis, Maria; Kumar, Jayasree; Nag, Ekta; Ravichandran, Prathap; Roy, Sudipta; Chandra Mondal, Kartik Synthesis, oligomerization and catalytic studies of a redox-active Ni4-cubane: a detailed mechanistic investigation RSC Advances, 2021, 11, 22849-22858
7243122	CIF	C64 H65 Cl2 N5 Ni4 O14	P -1	14.07; 14.216; 19.039 76.64; 68.85; 63.449	3166	Kushvaha, Saroj Kumar; Francis, Maria; Kumar, Jayasree; Nag, Ekta; Ravichandran, Prathap; Roy, Sudipta; Chandra Mondal, Kartik Synthesis, oligomerization and catalytic studies of a redox-active Ni4-cubane: a detailed mechanistic investigation RSC Advances, 2021, 11, 22849-22858
7243123	CIF	C24 H27 N O5	P 21 21 21	9.2258; 15.495; 15.6334 90; 90; 90	2234.9	Kushvaha, Saroj Kumar; Francis, Maria; Kumar, Jayasree; Nag, Ekta; Ravichandran, Prathap; Roy, Sudipta; Chandra Mondal, Kartik Synthesis, oligomerization and catalytic studies of a redox-active Ni4-cubane: a detailed mechanistic investigation RSC Advances, 2021, 11, 22849-22858
7243124	CIF	C17 H14 O2 S	P 1 21/c 1	11.6106; 16.0508; 7.5624 90; 104.79; 90	1362.63	Klöpfer, Viktor; Eckl, Robert; Floß, Johannes; Roth, Philippe M. C.; Reiser, Oliver; Barham, Joshua P. Catalyst-free, scalable heterocyclic flow photocyclopropanation Green Chemistry, 2021, 23, 6366-6372
7243125	CIF	C8 H4 Cu N4 O2	P 1 21/c 1	5.1833; 23.147; 6.8285 90; 107.681; 90	780.57	Hua, Feng-Zhen; Feng, Chao; Zhang, Ling-Mei; Yang, Yu-Meng; Zhang, Guo-Ning; Wang, Yu-Cheng; Zhao, Hong Electrochemiluminescence properties and luminescence sensing of four novel polymers derived from 3-(pyrazin-2-yl)-1H-pyrazole-5-carboxylic acid CrystEngComm, 2021, 23, 5463-5474
7243126	CIF	C8 H8 Cl N4 O4 Zn1.5	P -1	6.8724; 8.5555; 10.8947 103.025; 102.889; 111.241	547.97	Hua, Feng-Zhen; Feng, Chao; Zhang, Ling-Mei; Yang, Yu-Meng; Zhang, Guo-Ning; Wang, Yu-Cheng; Zhao, Hong Electrochemiluminescence properties and luminescence sensing of four novel polymers derived from 3-(pyrazin-2-yl)-1H-pyrazole-5-carboxylic acid CrystEngComm, 2021, 23, 5463-5474
7243127	CIF	C8 H6 N4 Ni O4	P 1 21/c 1	8.5821; 13.578; 9.2842 90; 116.067; 90	971.8	Hua, Feng-Zhen; Feng, Chao; Zhang, Ling-Mei; Yang, Yu-Meng; Zhang, Guo-Ning; Wang, Yu-Cheng; Zhao, Hong Electrochemiluminescence properties and luminescence sensing of four novel polymers derived from 3-(pyrazin-2-yl)-1H-pyrazole-5-carboxylic acid CrystEngComm, 2021, 23, 5463-5474
7243128	CIF	C8 H5 Cl N4 O2 Pb	P 1 21/c 1	13.8772; 9.5629; 7.5481 90; 94.152; 90	999.05	Hua, Feng-Zhen; Feng, Chao; Zhang, Ling-Mei; Yang, Yu-Meng; Zhang, Guo-Ning; Wang, Yu-Cheng; Zhao, Hong Electrochemiluminescence properties and luminescence sensing of four novel polymers derived from 3-(pyrazin-2-yl)-1H-pyrazole-5-carboxylic acid CrystEngComm, 2021, 23, 5463-5474
7243129	CIF	C16 H16 Co0.67 N2 O6	C m c e	20.5149; 16.0901; 15.5524 90; 90; 90	5133.6	Mylonas-Margaritis, Ioannis; Mayans, Júlia; Tong, Wenming; Farràs, Pau; Escuer, Albert; McArdle, Patrick; Papatriantafyllopoulou, Constantina Synthesis and characterization of new coordination compounds by the use of 2-pyridinemethanol and di- or tricarboxylic acids CrystEngComm, 2021, 23, 5489-5497
7243130	CIF	C23 H22 N3 O7 Zn2	P n a 21	17.034; 11.4043; 12.6992 90; 90; 90	2466.96	Mylonas-Margaritis, Ioannis; Mayans, Júlia; Tong, Wenming; Farràs, Pau; Escuer, Albert; McArdle, Patrick; Papatriantafyllopoulou, Constantina Synthesis and characterization of new coordination compounds by the use of 2-pyridinemethanol and di- or tricarboxylic acids CrystEngComm, 2021, 23, 5489-5497
7243131	CIF	C14.5 H11.5 N1.5 Ni0.75 O6.62	I 1 2/m 1	11.3588; 30.0187; 12.2991 90; 117.471; 90	3720.8	Mylonas-Margaritis, Ioannis; Mayans, Júlia; Tong, Wenming; Farràs, Pau; Escuer, Albert; McArdle, Patrick; Papatriantafyllopoulou, Constantina Synthesis and characterization of new coordination compounds by the use of 2-pyridinemethanol and di- or tricarboxylic acids CrystEngComm, 2021, 23, 5489-5497
7243132	CIF	C46 H38 N6 Ni2 O18	C m c e	20.5127; 16.0761; 15.2569 90; 90; 90	5031.2	Mylonas-Margaritis, Ioannis; Mayans, Júlia; Tong, Wenming; Farràs, Pau; Escuer, Albert; McArdle, Patrick; Papatriantafyllopoulou, Constantina Synthesis and characterization of new coordination compounds by the use of 2-pyridinemethanol and di- or tricarboxylic acids CrystEngComm, 2021, 23, 5489-5497
7243133	CIF	C40 H36 Fe3 N4 O12	P 1 21/n 1	10.4617; 14.6431; 12.7995 90; 97.576; 90	1943.7	Mylonas-Margaritis, Ioannis; Mayans, Júlia; Tong, Wenming; Farràs, Pau; Escuer, Albert; McArdle, Patrick; Papatriantafyllopoulou, Constantina Synthesis and characterization of new coordination compounds by the use of 2-pyridinemethanol and di- or tricarboxylic acids CrystEngComm, 2021, 23, 5489-5497
7243134	CIF	C8 H17 N O9	P 1 21 1	6.1846; 27.8403; 7.4558 90; 109.007; 90	1213.76	Losev, E. A.; Pishchur, D. P.; Boldyreva, E. V. A new monohydrated molecular salt of GABA with l-tartaric acid: the structure-forming role of water CrystEngComm, 2021, 23, 6086-6092
7243135	CIF	C32 H30 Ag2 N7 O8.5	P -1	11.388; 12.621; 14.493 100.52; 109.121; 97.132	1896.7	Jiang, Wei; Lv, Mengying; Gao, Baihui; Liu, Bo; Yan, Guosong; Zhou, Shi; Liu, Chunbo; Xie, Wei; Che, Guangbo Facile construction of an Ag0-doped Ag(i)-based coordination polymer via a self-photoreduction strategy for enhanced visible light driven photocatalysis CrystEngComm, 2021, 23, 5397-5402
7243136	CIF	C36 H64 Cu6 Mo12 N20 O62 Te2	C 1 2/c 1	16.206; 13.665; 19.848 90; 105.603; 90	4233.5	Ying, Jun; Sun, Chenxi; Jin, Liang; Tian, Aixiang; Wang, Xiuli Five compounds based on [TeMo6O24]6− and [β-Mo8O26]4− anions synthesized by using different symmetrical and asymmetric N-donor ligands CrystEngComm, 2021, 23, 5385-5396
7243137	CIF	C12 H44 Cu2 Mo6 N8 O30 Te	P 1 21/n 1	10.4645; 14.6884; 13.0321 90; 95.1; 90	1995.2	Ying, Jun; Sun, Chenxi; Jin, Liang; Tian, Aixiang; Wang, Xiuli Five compounds based on [TeMo6O24]6− and [β-Mo8O26]4− anions synthesized by using different symmetrical and asymmetric N-donor ligands CrystEngComm, 2021, 23, 5385-5396
7243138	CIF	C52 H72 Cu4 Mo16 N24 O54	C 1 2/c 1	12.79; 21.231; 19.024 90; 97.734; 90	5118.9	Ying, Jun; Sun, Chenxi; Jin, Liang; Tian, Aixiang; Wang, Xiuli Five compounds based on [TeMo6O24]6− and [β-Mo8O26]4− anions synthesized by using different symmetrical and asymmetric N-donor ligands CrystEngComm, 2021, 23, 5385-5396
7243139	CIF	C13 H16 Cu Mo4 N4 O15	P 1 21/n 1	10.7719; 18.3338; 12.7561 90; 113.685; 90	2307	Ying, Jun; Sun, Chenxi; Jin, Liang; Tian, Aixiang; Wang, Xiuli Five compounds based on [TeMo6O24]6− and [β-Mo8O26]4− anions synthesized by using different symmetrical and asymmetric N-donor ligands CrystEngComm, 2021, 23, 5385-5396
7243140	CIF	C26 H42 Cu5 Mo12 N12 O56 Te2	P -1	11.1044; 11.8366; 13.6033 77.836; 72.274; 85.532	1664.7	Ying, Jun; Sun, Chenxi; Jin, Liang; Tian, Aixiang; Wang, Xiuli Five compounds based on [TeMo6O24]6− and [β-Mo8O26]4− anions synthesized by using different symmetrical and asymmetric N-donor ligands CrystEngComm, 2021, 23, 5385-5396
7243141	CIF	C16 H14 Cu N8	P 1 21/c 1	5.3383; 9.0913; 15.5717 90; 95.648; 90	752.06	Petrenko, Yuliia P.; Piasta, Karolina; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Shova, Sergiu; Novitchi, Ghénadie; Toporivska, Yuliya; Gumienna-Kontecka, Elzbieta; Martins, Luísa M. D. R. S.; Lampeka, Rostyslav D. An investigation of two copper(ii) complexes with a triazole derivative as a ligand: magnetic and catalytic properties RSC Advances, 2021, 11, 23442-23449
7243142	CIF	C20 H24 Cu2 N8 O6	C 1 2/c 1	22.4328; 7.23016; 15.4337 90; 107.996; 90	2380.77	Petrenko, Yuliia P.; Piasta, Karolina; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Shova, Sergiu; Novitchi, Ghénadie; Toporivska, Yuliya; Gumienna-Kontecka, Elzbieta; Martins, Luísa M. D. R. S.; Lampeka, Rostyslav D. An investigation of two copper(ii) complexes with a triazole derivative as a ligand: magnetic and catalytic properties RSC Advances, 2021, 11, 23442-23449
7243143	CIF	C43 H54 As0.55 F6 Fe N O8 P0.45	P -1	10.188; 11.162; 19.431 86.926; 77.759; 88.866	2156.2	Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether CrystEngComm, 2021, 23, 5944-5952
7243144	CIF	C43 H54 F6 Fe N O8 P	P -1	10.1785; 11.0668; 19.4314 86.883; 77.412; 88.969	2133	Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether CrystEngComm, 2021, 23, 5944-5952
7243145	CIF	C43 H54 As0.49 F6 Fe N O8 P0.51	P -1	10.204; 11.089; 19.442 86.955; 77.616; 88.875	2145.6	Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether CrystEngComm, 2021, 23, 5944-5952
7243146	CIF	C43 H54 As0.67 F6 Fe N O8 P0.33	P -1	10.175; 11.163; 19.424 86.799; 77.778; 88.65	2152.7	Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether CrystEngComm, 2021, 23, 5944-5952
7243147	CIF	C43 H54 F6 Fe N O8 P0.92 Sb0.08	P -1	10.203; 11.091; 19.44 86.95; 77.515; 88.98	2144.8	Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether CrystEngComm, 2021, 23, 5944-5952
7243148	CIF	C43 H54 F6 Fe N O8 P0.35 Sb0.65	P -1	10.163; 11.824; 17.902 85.765; 86.936; 87.915	2141.2	Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether CrystEngComm, 2021, 23, 5944-5952
7243149	CIF	C43 H54 As0.36 F6 Fe N O8 P0.64	P -1	10.194; 11.112; 19.439 86.85; 77.726; 88.805	2148.3	Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether CrystEngComm, 2021, 23, 5944-5952
7243150	CIF	C43 H54 As0.72 F6 Fe N O8 P0.28	P -1	10.171; 11.182; 19.436 86.772; 77.689; 88.611	2156.1	Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether CrystEngComm, 2021, 23, 5944-5952
7243151	CIF	C43 H54 F6 Fe N O8 P0.84 Sb0.16	P -1	10.17; 11.106; 19.439 86.836; 77.378; 88.73	2139.2	Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether CrystEngComm, 2021, 23, 5944-5952
7243152	CIF	C43 H54 F6 Fe N O8 P	P 1 2/c 1	21.497; 9.893; 22.324 90; 116.199; 90	4259.9	Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether CrystEngComm, 2021, 23, 5944-5952
7243153	CIF	C43 H54 F6 Fe N O8 P0.484 Sb0.516	P -1	10.139; 11.679; 17.971 85.655; 87.434; 88.542	2119.2	Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether CrystEngComm, 2021, 23, 5944-5952
7243154	CIF	C164 H108 Co4 N28 O16	P 1 21/c 1	9.4922; 39.4939; 9.7199 90; 110.321; 90	3417.05	Ren, Zhu-Meng; Wang, Lu-Lu; Wang, Jin-Miao; Zhu, Bin; Gao, Qiang; Wang, Mei; Shao, Feng; Fan, Yu-Hua Five novel MOFs with various dimensions as efficient catalysts for oxygen evolution reactions CrystEngComm, 2021, 23, 5475-5480
7243155	CIF	C26 H20 Mn N4 O5	P -1	9.311; 10.2559; 14.891 105.346; 94.24; 115.645	1206.8	Ren, Zhu-Meng; Wang, Lu-Lu; Wang, Jin-Miao; Zhu, Bin; Gao, Qiang; Wang, Mei; Shao, Feng; Fan, Yu-Hua Five novel MOFs with various dimensions as efficient catalysts for oxygen evolution reactions CrystEngComm, 2021, 23, 5475-5480
7243156	CIF	C46 H36 Mn2 N6 O13	P -1	10.0622; 10.432; 11.9877 67.814; 71.39; 68.516	1060.07	Ren, Zhu-Meng; Wang, Lu-Lu; Wang, Jin-Miao; Zhu, Bin; Gao, Qiang; Wang, Mei; Shao, Feng; Fan, Yu-Hua Five novel MOFs with various dimensions as efficient catalysts for oxygen evolution reactions CrystEngComm, 2021, 23, 5475-5480
7243157	CIF	C27 H22 Mn N4 O5	P -1	9.2544; 10.3343; 14.8355 105.384; 93.551; 116.082	1202.28	Ren, Zhu-Meng; Wang, Lu-Lu; Wang, Jin-Miao; Zhu, Bin; Gao, Qiang; Wang, Mei; Shao, Feng; Fan, Yu-Hua Five novel MOFs with various dimensions as efficient catalysts for oxygen evolution reactions CrystEngComm, 2021, 23, 5475-5480
7243158	CIF	C23 H15 N3 Ni O5	P 1 21/n 1	13.1164; 16.1174; 14.7873 90; 109.782; 90	2941.59	Ren, Zhu-Meng; Wang, Lu-Lu; Wang, Jin-Miao; Zhu, Bin; Gao, Qiang; Wang, Mei; Shao, Feng; Fan, Yu-Hua Five novel MOFs with various dimensions as efficient catalysts for oxygen evolution reactions CrystEngComm, 2021, 23, 5475-5480
7243159	CIF	C4 H N9 O6	P 1 21 1	6.2831; 6.0046; 13.003 90; 91.56; 90	490.39	Gulyaev, Dmitry A.; Klenov, Michael S.; Churakov, Aleksandr M.; Strelenko, Yurii A.; Fedyanin, Ivan V.; Lempert, David B.; Kosareva, Ekaterina K.; Kon'kova, Tatiana S.; Matyushin, Yurii N.; Tartakovsky, Vladimir A. [(3-Nitro-1H-1,2,4-triazol-1-yl)-NNO-azoxy]furazans: energetic materials containing an N(O)N‒N fragment RSC Advances, 2021, 11, 24013-24021
7243160	CIF	C4 H3 N9 O4	P 21 21 21	4.8786; 7.9416; 22.587 90; 90; 90	875.1	Gulyaev, Dmitry A.; Klenov, Michael S.; Churakov, Aleksandr M.; Strelenko, Yurii A.; Fedyanin, Ivan V.; Lempert, David B.; Kosareva, Ekaterina K.; Kon'kova, Tatiana S.; Matyushin, Yurii N.; Tartakovsky, Vladimir A. [(3-Nitro-1H-1,2,4-triazol-1-yl)-NNO-azoxy]furazans: energetic materials containing an N(O)N‒N fragment RSC Advances, 2021, 11, 24013-24021
7243161	CIF	C8 H2 N18 O8	P b c n	17.283; 7.552; 13.411 90; 90; 90	1750.4	Gulyaev, Dmitry A.; Klenov, Michael S.; Churakov, Aleksandr M.; Strelenko, Yurii A.; Fedyanin, Ivan V.; Lempert, David B.; Kosareva, Ekaterina K.; Kon'kova, Tatiana S.; Matyushin, Yurii N.; Tartakovsky, Vladimir A. [(3-Nitro-1H-1,2,4-triazol-1-yl)-NNO-azoxy]furazans: energetic materials containing an N(O)N‒N fragment RSC Advances, 2021, 11, 24013-24021
7243162	CIF	C36 H30 N4 O8 Zn	P -1	9.764; 11.687; 15.345 106.065; 91.671; 102.175	1637.7	Yang, Xue; Ren, Yixia; Chai, Hongmei; Hou, Xiufang; Wang, Zhixiang; Wang, Jijiang Highly sensitive detection of nitrobenzene by a series of fluorescent 2D zinc(ii) metal‒organic frameworks with a flexible triangular ligand RSC Advances, 2021, 11, 23975-23984
7243163	CIF	C34 H24 N4 O8 Zn2	P 1 21/n 1	15.9212; 11.5181; 17.0439 90; 105.53; 90	3011.4	Yang, Xue; Ren, Yixia; Chai, Hongmei; Hou, Xiufang; Wang, Zhixiang; Wang, Jijiang Highly sensitive detection of nitrobenzene by a series of fluorescent 2D zinc(ii) metal‒organic frameworks with a flexible triangular ligand RSC Advances, 2021, 11, 23975-23984
7243164	CIF	C34 H26 N6 O8.5 Zn2	P -1	10.203; 11.768; 14.073 86.764; 80.749; 77.297	1626.5	Yang, Xue; Ren, Yixia; Chai, Hongmei; Hou, Xiufang; Wang, Zhixiang; Wang, Jijiang Highly sensitive detection of nitrobenzene by a series of fluorescent 2D zinc(ii) metal‒organic frameworks with a flexible triangular ligand RSC Advances, 2021, 11, 23975-23984
7243165	CIF	C26 H18 N2 O7 Zn	P -1	7.427; 12.0551; 13.0522 82.543; 86.438; 77.641	1131.16	Yang, Xue; Ren, Yixia; Chai, Hongmei; Hou, Xiufang; Wang, Zhixiang; Wang, Jijiang Highly sensitive detection of nitrobenzene by a series of fluorescent 2D zinc(ii) metal‒organic frameworks with a flexible triangular ligand RSC Advances, 2021, 11, 23975-23984
7243166	CIF	C4 H12 Cl2 Cu O2 S2	P n m a	7.9376; 11.4925; 11.3612 90; 90; 90	1036.4	Bernabé Vírseda, Ignacio; Siddiqui, Shiraz Ahmed; Prado-Roller, Alexander; Eisterer, Michael; Shiozawa, Hidetsugu Crystal engineering with copper and melamine RSC Advances, 2021, 11, 23943-23947
7243167	CIF	C6 H15 Cl Cu N6 O2 S	P -1	10.4677; 11.58; 14.375 106.116; 99.25; 102.092	1591.8	Bernabé Vírseda, Ignacio; Siddiqui, Shiraz Ahmed; Prado-Roller, Alexander; Eisterer, Michael; Shiozawa, Hidetsugu Crystal engineering with copper and melamine RSC Advances, 2021, 11, 23943-23947
7243168	CIF	C24 H26 N4 O7 Zn	P 1 2/c 1	9.9904; 6.0482; 21.616 90; 101.289; 90	1280.85	Alamgir,; Talha, Khalid; Wang, Ying-Jie; Ullah, Raza; Wang, Bin; Wang, Lu; Wu, Wei; Chen, Sha; Xie, Lin-Hua; Li, Jian-Rong Construction of a mixed ligand MOF as “green catalyst” for the photocatalytic degradation of organic dye in aqueous media RSC Advances, 2021, 11, 23838-23845
7243169	CIF	C21 H25 B10 N	P 1 21/c 1	12.573; 14.319; 13.473 90; 113.15; 90	2230.3	Lee, Seok Ho; Mun, Min Sik; Kim, Mingi; Lee, Ji Hye; Hwang, Hyonseok; Lee, Wonchul; Lee, Kang Mun Alteration of intramolecular electronic transition via deboronation of carbazole-based o-carboranyl compound and intriguing ‘turn-on’ emissive variation RSC Advances, 2021, 11, 24057-24064
7243170	CIF	C6 H16 Co N2 O6	C 1 2/c 1	16.8488; 9.3909; 6.8017 90; 97.788; 90	1066.28	Vušak, Darko; Smrečki, Neven; Muratović, Senada; Žilić, Dijana; Prugovečki, Biserka; Matković-Čalogović, Dubravka Structural diversity in the coordination compounds of cobalt, nickel and copper with N-alkylglycinates: crystallographic and ESR study in the solid state RSC Advances, 2021, 11, 23779-23790
7243171	CIF	C8 H20 Co N2 O6	P -1	5.4524; 7.1733; 8.7708 113.139; 91.989; 106.635	297.99	Vušak, Darko; Smrečki, Neven; Muratović, Senada; Žilić, Dijana; Prugovečki, Biserka; Matković-Čalogović, Dubravka Structural diversity in the coordination compounds of cobalt, nickel and copper with N-alkylglycinates: crystallographic and ESR study in the solid state RSC Advances, 2021, 11, 23779-23790
7243172	CIF	C12 H30 Co2 N4 O12	P b c a	15.5085; 14.6844; 18.0637 90; 90; 90	4113.7	Vušak, Darko; Smrečki, Neven; Muratović, Senada; Žilić, Dijana; Prugovečki, Biserka; Matković-Čalogović, Dubravka Structural diversity in the coordination compounds of cobalt, nickel and copper with N-alkylglycinates: crystallographic and ESR study in the solid state RSC Advances, 2021, 11, 23779-23790
7243173	CIF	C10 H24 Cu N2 O6	P 1 21/c 1	11.5413; 11.2713; 5.8447 90; 93.037; 90	759.24	Vušak, Darko; Smrečki, Neven; Muratović, Senada; Žilić, Dijana; Prugovečki, Biserka; Matković-Čalogović, Dubravka Structural diversity in the coordination compounds of cobalt, nickel and copper with N-alkylglycinates: crystallographic and ESR study in the solid state RSC Advances, 2021, 11, 23779-23790
7243174	CIF	C8 H20 N2 Ni O6	P -1	5.4231; 7.1382; 8.7608 113.806; 91.508; 106.771	293.11	Vušak, Darko; Smrečki, Neven; Muratović, Senada; Žilić, Dijana; Prugovečki, Biserka; Matković-Čalogović, Dubravka Structural diversity in the coordination compounds of cobalt, nickel and copper with N-alkylglycinates: crystallographic and ESR study in the solid state RSC Advances, 2021, 11, 23779-23790
7243175	CIF	C10 H24 Cu N2 O6	I 1 2/a 1	9.3725; 7.3714; 21.2849 90; 90.496; 90	1470.49	Vušak, Darko; Smrečki, Neven; Muratović, Senada; Žilić, Dijana; Prugovečki, Biserka; Matković-Čalogović, Dubravka Structural diversity in the coordination compounds of cobalt, nickel and copper with N-alkylglycinates: crystallographic and ESR study in the solid state RSC Advances, 2021, 11, 23779-23790
7243176	CIF	C10 H24 Co N2 O6	P 1 21/c 1	10.4296; 7.2609; 10.0987 90; 107.734; 90	728.42	Vušak, Darko; Smrečki, Neven; Muratović, Senada; Žilić, Dijana; Prugovečki, Biserka; Matković-Čalogović, Dubravka Structural diversity in the coordination compounds of cobalt, nickel and copper with N-alkylglycinates: crystallographic and ESR study in the solid state RSC Advances, 2021, 11, 23779-23790
7243177	CIF	C8 H20 Co N2 O6	P -1	5.4717; 7.1941; 8.8468 113.095; 92.008; 106.385	303.11	Vušak, Darko; Smrečki, Neven; Muratović, Senada; Žilić, Dijana; Prugovečki, Biserka; Matković-Čalogović, Dubravka Structural diversity in the coordination compounds of cobalt, nickel and copper with N-alkylglycinates: crystallographic and ESR study in the solid state RSC Advances, 2021, 11, 23779-23790
7243178	CIF	C8 H20 N2 Ni O6	P -1	5.44882; 7.15455; 8.83552 113.692; 91.6006; 106.561	298.32	Vušak, Darko; Smrečki, Neven; Muratović, Senada; Žilić, Dijana; Prugovečki, Biserka; Matković-Čalogović, Dubravka Structural diversity in the coordination compounds of cobalt, nickel and copper with N-alkylglycinates: crystallographic and ESR study in the solid state RSC Advances, 2021, 11, 23779-23790
7243179	CIF	C8 H16 Cu N2 O4	P 1 21/c 1	10.0467; 6.3568; 9.0286 90; 114.398; 90	525.12	Vušak, Darko; Smrečki, Neven; Muratović, Senada; Žilić, Dijana; Prugovečki, Biserka; Matković-Čalogović, Dubravka Structural diversity in the coordination compounds of cobalt, nickel and copper with N-alkylglycinates: crystallographic and ESR study in the solid state RSC Advances, 2021, 11, 23779-23790
7243180	CIF	C6 H16 Cu N2 O6	P -1	7.0311; 7.4825; 10.6021 78.541; 89.938; 78.408	535.07	Vušak, Darko; Smrečki, Neven; Muratović, Senada; Žilić, Dijana; Prugovečki, Biserka; Matković-Čalogović, Dubravka Structural diversity in the coordination compounds of cobalt, nickel and copper with N-alkylglycinates: crystallographic and ESR study in the solid state RSC Advances, 2021, 11, 23779-23790
7243181	CIF	C6 H12 Cu N2 O4	P 1 21/c 1	7.9367; 5.9953; 9.0214 90; 90.522; 90	429.247	Vušak, Darko; Smrečki, Neven; Muratović, Senada; Žilić, Dijana; Prugovečki, Biserka; Matković-Čalogović, Dubravka Structural diversity in the coordination compounds of cobalt, nickel and copper with N-alkylglycinates: crystallographic and ESR study in the solid state RSC Advances, 2021, 11, 23779-23790
7243182	CIF	Ce Na0.5 P2 Rb2.5 S8	P 1 21/c 1	9.1218; 17.4862; 9.4704 90; 91.7907; 90	1509.84	Breton, Logan S.; Smith, Mark D.; zur Loye, Hans-Conrad Trends in rare earth thiophosphate syntheses: Rb3Ln(PS4)2 (Ln = La, Ce, Pr), Rb3−xNaxLn(PS4)2 (Ln = Ce, Pr; x = 0.50, 0.55), and RbEuPS4 obtained by molten flux crystal growth CrystEngComm, 2021, 23, 5241-5248
7243183	CIF	Na0.55 P2 Pr Rb2.45 S8	P 1 21/c 1	9.057; 17.3059; 9.4252 90; 91.8396; 90	1476.54	Breton, Logan S.; Smith, Mark D.; zur Loye, Hans-Conrad Trends in rare earth thiophosphate syntheses: Rb3Ln(PS4)2 (Ln = La, Ce, Pr), Rb3−xNaxLn(PS4)2 (Ln = Ce, Pr; x = 0.50, 0.55), and RbEuPS4 obtained by molten flux crystal growth CrystEngComm, 2021, 23, 5241-5248
7243184	CIF	Ce P2 Rb3 S8	P 1 21 1	9.8512; 6.753; 11.4321 90; 90.241; 90	760.52	Breton, Logan S.; Smith, Mark D.; zur Loye, Hans-Conrad Trends in rare earth thiophosphate syntheses: Rb3Ln(PS4)2 (Ln = La, Ce, Pr), Rb3−xNaxLn(PS4)2 (Ln = Ce, Pr; x = 0.50, 0.55), and RbEuPS4 obtained by molten flux crystal growth CrystEngComm, 2021, 23, 5241-5248
7243185	CIF	Eu P Rb S4	P n m a	17.3308; 6.6787; 6.4347 90; 90; 90	744.8	Breton, Logan S.; Smith, Mark D.; zur Loye, Hans-Conrad Trends in rare earth thiophosphate syntheses: Rb3Ln(PS4)2 (Ln = La, Ce, Pr), Rb3−xNaxLn(PS4)2 (Ln = Ce, Pr; x = 0.50, 0.55), and RbEuPS4 obtained by molten flux crystal growth CrystEngComm, 2021, 23, 5241-5248
7243186	CIF	La P2 Rb3 S8	P 1 21 1	9.9053; 6.7376; 11.4553 90; 90.005; 90	764.5	Breton, Logan S.; Smith, Mark D.; zur Loye, Hans-Conrad Trends in rare earth thiophosphate syntheses: Rb3Ln(PS4)2 (Ln = La, Ce, Pr), Rb3−xNaxLn(PS4)2 (Ln = Ce, Pr; x = 0.50, 0.55), and RbEuPS4 obtained by molten flux crystal growth CrystEngComm, 2021, 23, 5241-5248
7243187	CIF	P2 Pr Rb3 S8	P 1 21 1	9.8265; 6.7613; 11.4228 90; 90.2997; 90	758.92	Breton, Logan S.; Smith, Mark D.; zur Loye, Hans-Conrad Trends in rare earth thiophosphate syntheses: Rb3Ln(PS4)2 (Ln = La, Ce, Pr), Rb3−xNaxLn(PS4)2 (Ln = Ce, Pr; x = 0.50, 0.55), and RbEuPS4 obtained by molten flux crystal growth CrystEngComm, 2021, 23, 5241-5248
7243188	CIF	C44 H24 F8 N6	P 1 21/n 1	7.1682; 8.2406; 29.792 90; 92.704; 90	1757.9	Wang, Si-Si; Li, Kechang; Ma, Xiaohui; Xue, Pengchong Acceptor-regulated luminescence in carbazole-based charge transfer complexes CrystEngComm, 2021, 23, 5314-5320
7243189	CIF	C24 H14 N5	P 1 21/c 1	15.694; 7.226; 17.313 90; 95.538; 90	1954.2	Wang, Si-Si; Li, Kechang; Ma, Xiaohui; Xue, Pengchong Acceptor-regulated luminescence in carbazole-based charge transfer complexes CrystEngComm, 2021, 23, 5314-5320
7243190	CIF	C42 H48 N6 O6 S2	P -1	10.2153; 14.5679; 16.0551 107.972; 104.609; 106.675	2019.1	Takeda, Takashi; Kasahara, Yotaro; Akutagawa, Tomoyuki Color-tunable arylaminoanthraquinone dyes through hydrogen-bond-assisted charge transfer interaction RSC Advances, 2021, 11, 24217-24231
7243191	CIF	C19 H22 Cl2 N6 Pd	P 1 c 1	12.883; 8.8827; 9.6095 90; 110.352; 90	1031.02	Kunfi, Attila; Jablonkai, István; Gazdag, Tamás; Mayer, Péter J.; Kalapos, Péter Pál; Németh, Krisztina; Holczbauer, Tamás; London, Gábor A photoresponsive palladium complex of an azopyridyl-triazole ligand: light-controlled solubility drives catalytic activity in the Suzuki coupling reaction RSC Advances, 2021, 11, 23419-23429
7243192	CIF	C20 H16 N6	P -1	5.8998; 9.3629; 15.9508 73.354; 81.87; 81.835	830.9	Kunfi, Attila; Jablonkai, István; Gazdag, Tamás; Mayer, Péter J.; Kalapos, Péter Pál; Németh, Krisztina; Holczbauer, Tamás; London, Gábor A photoresponsive palladium complex of an azopyridyl-triazole ligand: light-controlled solubility drives catalytic activity in the Suzuki coupling reaction RSC Advances, 2021, 11, 23419-23429
7243193	CIF	C30 H32 N4 O5 S	P -1	7.938; 13.3534; 14.1943 112.959; 92.287; 96.766	1369.67	Ren, Bo-Ying; Dai, Xia-Lin; Wang, Jie; Wu, Chao; Lu, Tong-Bu; Chen, Jia-Mei Cocrystallization of axitinib with carboxylic acids: preparation, crystal structures and dissolution behavior CrystEngComm, 2021, 23, 5504-5515
7243194	CIF	C31 H26 N4 O3 S	P -1	7.8512; 13.6163; 14.6035 62.989; 82.242; 79.912	1366.64	Ren, Bo-Ying; Dai, Xia-Lin; Wang, Jie; Wu, Chao; Lu, Tong-Bu; Chen, Jia-Mei Cocrystallization of axitinib with carboxylic acids: preparation, crystal structures and dissolution behavior CrystEngComm, 2021, 23, 5504-5515
7243195	CIF	C28 H24 N4 O7 S	P -1	8.1582; 13.1348; 13.1911 102.579; 105.605; 93.678	1317.35	Ren, Bo-Ying; Dai, Xia-Lin; Wang, Jie; Wu, Chao; Lu, Tong-Bu; Chen, Jia-Mei Cocrystallization of axitinib with carboxylic acids: preparation, crystal structures and dissolution behavior CrystEngComm, 2021, 23, 5504-5515
7243196	CIF	C8 H5 Cl3 O	P 1 c 1	3.6879; 11.923; 9.13 90; 97.392; 90	398.12	Kusumoto, Sotaro; Sugimoto, Akira; Kosumi, Daisuke; Kim, Yang; Sekine, Yoshihiro; Nakamura, Masaaki; Hayami, Shinya A plastically bendable and polar organic crystal CrystEngComm, 2021, 23, 5560-5563
7243197	CIF	C17 H24 Mo N2 O S4	P b c a	12.6981; 15.8799; 21.2754 90; 90; 90	4290.07	Dille, Sara A.; Colston, Kyle J.; Ratvasky, Stephen C.; Pu, Jingzhi; Basu, Partha Interligand communication in a metal mediated LL′CT system ‒ a case study RSC Advances, 2021, 11, 24381-24386
7243198	CIF	C88 H102 Cl6 O4	P 1 21/n 1	15.125; 11.8601; 21.373 90; 100.169; 90	3773.7	Tominaga, Masahide; Fujimaru, Kousuke; Hyodo, Tadashi; Yamaguchi, Kentaro Selective alkane co-inclusion by methylene- and adamantane-bridged macrocycle with biphenyl units CrystEngComm, 2021, 23, 5157-5163
7243199	CIF	C75 H73 Cl3 O4	P 1 21/c 1	14.0848; 13.6156; 15.0281 90; 92.682; 90	2878.8	Tominaga, Masahide; Fujimaru, Kousuke; Hyodo, Tadashi; Yamaguchi, Kentaro Selective alkane co-inclusion by methylene- and adamantane-bridged macrocycle with biphenyl units CrystEngComm, 2021, 23, 5157-5163
7243200	CIF	C74 H72 O4	P 1 21/c 1	12.6452; 29.23; 7.4103 90; 98.251; 90	2710.6	Tominaga, Masahide; Fujimaru, Kousuke; Hyodo, Tadashi; Yamaguchi, Kentaro Selective alkane co-inclusion by methylene- and adamantane-bridged macrocycle with biphenyl units CrystEngComm, 2021, 23, 5157-5163
7243201	CIF	C78 H80 Cl8 O4	P -1	10.238; 11.9538; 14.5269 100.417; 103.463; 93.348	1691.08	Tominaga, Masahide; Fujimaru, Kousuke; Hyodo, Tadashi; Yamaguchi, Kentaro Selective alkane co-inclusion by methylene- and adamantane-bridged macrocycle with biphenyl units CrystEngComm, 2021, 23, 5157-5163
7243202	CIF	C42 H50 N4 S2	P -1	7.7495; 33.5689; 39.6305 68.5122; 88.362; 84.7067	9551.9	Echeverri, Marcelo; Ruiz, Constanza; Gómez-Lor, Berta A high contrast mechanochromic luminescent diacetylene-linked bis-benzothiadiazole derivative CrystEngComm, 2021, 23, 5925-5930
7243203	CIF	C17 H14 O7	P 1 21/c 1	6.2678; 13.2735; 18.564 90; 90.548; 90	1544.4	Bhaskaran, Rasmi P.; Nayak, Kalinga H.; Babu, Beneesh P. Synthesis of functionalized benzo[1,3]dioxin-4-ones from salicylic acid and acetylenic esters and their direct amidation RSC Advances, 2021, 11, 24570-24574
7243204	CIF	C93 H59 Cl15 N8 O3 Ru2	P -1	13.0804; 18.3767; 18.76 78.745; 79.896; 82.809	4334.8	Iwanaga, Osamu; Fukuyama, Kazuki; Mori, Shigeki; Song, Jun Tae; Ishihara, Tatsumi; Miyazaki, Takaaki; Ishida, Masatoshi; Furuta, Hiroyuki Ruthenium(iv) N-confused porphyrin μ-oxo-bridged dimers: acid-responsive molecular rotors RSC Advances, 2021, 11, 24575-24579
7243205	CIF	C93 H58 Cl15 N8 O3 Ru2	P -1	13.0869; 18.3474; 18.8229 78.272; 79.906; 82.497	4335.54	Iwanaga, Osamu; Fukuyama, Kazuki; Mori, Shigeki; Song, Jun Tae; Ishihara, Tatsumi; Miyazaki, Takaaki; Ishida, Masatoshi; Furuta, Hiroyuki Ruthenium(iv) N-confused porphyrin μ-oxo-bridged dimers: acid-responsive molecular rotors RSC Advances, 2021, 11, 24575-24579
7243206	CIF	C28 H32 N12 O16 Sm	C 1 2/c 1	24.726; 15.346; 10.498 90; 99.982; 90	3923	Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties RSC Advances, 2021, 11, 24709-24721
7243207	CIF	C28 H27 N2 O9 Sm	P 1 21/c 1	14.496; 19.771; 9.9597 90; 91.561; 90	2853.4	Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties RSC Advances, 2021, 11, 24709-24721
7243208	CIF	C28 H32 N12 O16 Tb	C 1 2/c 1	24.6726; 15.3731; 10.4434 90; 100.17; 90	3898.9	Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties RSC Advances, 2021, 11, 24709-24721
7243209	CIF	C28 H32 Eu N12 O16	C 1 2/c 1	24.7339; 15.3481; 10.4654 90; 100.157; 90	3910.6	Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties RSC Advances, 2021, 11, 24709-24721
7243210	CIF	C28 H27 N2 O9 Pr	P 1 21/c 1	14.5239; 19.8515; 9.9728 90; 91.725; 90	2874.1	Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties RSC Advances, 2021, 11, 24709-24721
7243211	CIF	C28 H32 Dy N12 O16	C 1 2/c 1	24.6473; 15.3972; 10.429 90; 100.271; 90	3894.4	Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties RSC Advances, 2021, 11, 24709-24721
7243212	CIF	C28 H27 Eu N2 O9	P 1 21/c 1	14.468; 19.7315; 9.9544 90; 91.568; 90	2840.67	Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties RSC Advances, 2021, 11, 24709-24721
7243213	CIF	C28 H32 Gd N12 O16	C 1 2/c 1	24.6998; 15.3676; 10.455 90; 100.153; 90	3906.3	Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties RSC Advances, 2021, 11, 24709-24721
7243214	CIF	C28 H27 Gd N2 O9	P 1 21/c 1	14.447; 19.6992; 9.9464 90; 91.522; 90	2829.69	Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties RSC Advances, 2021, 11, 24709-24721
7243215	CIF	C28 H27 Er N2 O9	P 1 21/c 1	14.3923; 19.6216; 9.8933 90; 91.287; 90	2793.2	Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties RSC Advances, 2021, 11, 24709-24721
7243216	CIF	C28 H27 Dy N2 O9	P 1 21/c 1	14.4572; 19.7227; 9.944 90; 91.468; 90	2834.45	Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties RSC Advances, 2021, 11, 24709-24721
7243217	CIF	C28 H27 N2 Nd O9	P 1 21/c 1	14.5092; 19.8107; 9.9678 90; 91.713; 90	2863.84	Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties RSC Advances, 2021, 11, 24709-24721
7243218	CIF	C28 H27 N2 O9 Tb	P 1 21/c 1	14.434; 19.7062; 9.9308 90; 91.434; 90	2823.83	Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties RSC Advances, 2021, 11, 24709-24721
7243219	CIF	C63 H45 Dy3 O18	P 1 21/n 1	11.4293; 22.5089; 22.7805 90; 95.25; 90	5835.9	Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties RSC Advances, 2021, 11, 24709-24721
7243220	CIF	C21 H15 O6 Yb	P 1 21/n 1	11.2721; 22.5893; 23.0294 90; 96.111; 90	5830.6	Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties RSC Advances, 2021, 11, 24709-24721
7243221	CIF	C63 H45 Er3 O18	P 1 21/n 1	11.3816; 22.4859; 22.8587 90; 95.305; 90	5825.1	Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties RSC Advances, 2021, 11, 24709-24721
7243222	CIF	C63 H45 O18 Tb3	P 1 21/n 1	11.4419; 22.5595; 22.7629 90; 95.338; 90	5850.2	Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties RSC Advances, 2021, 11, 24709-24721
7243223	CIF	C63 H45 O18 Tm3	P 1 21/n 1	11.3218; 22.553; 22.9222 90; 95.884; 90	5822.1	Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties RSC Advances, 2021, 11, 24709-24721
7243224	CIF	C63 H45 Lu3 O18	P 1 21/n 1	11.2439; 22.591; 23.111 90; 96.311; 90	5834.9	Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties RSC Advances, 2021, 11, 24709-24721
7243225	CIF	C63 H45 Eu3 O18	P 1 21/n 1	11.4654; 22.6148; 22.7507 90; 95.35; 90	5873.3	Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties RSC Advances, 2021, 11, 24709-24721
7243226	CIF	C63 H45 Gd3 O18	P 1 21/n 1	11.4601; 22.5734; 22.7365 90; 95.327; 90	5856.4	Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties RSC Advances, 2021, 11, 24709-24721
7243227	CIF	C44 H52 N4 O8 Zn2	P 1 21/n 1	8.4459; 23.8241; 20.1246 90; 91.423; 90	4048.14	Barwiolek, Magdalena; Jankowska, Dominika; Chorobinski, Mateusz; Kaczmarek-Kędziera, Anna; Łakomska, Iwona; Wojtulewski, Slawomir; Muzioł, Tadeusz M. New dinuclear zinc(ii) complexes with Schiff bases obtained from o-phenylenediamine and their application as fluorescent materials in spin coating deposition RSC Advances, 2021, 11, 24515-24525
7243228	CIF	C31.4 H30.8 N4 O6 Zn2	P -1	8.421; 8.749; 10.713 84.53; 88.28; 65.61	715.5	Barwiolek, Magdalena; Jankowska, Dominika; Chorobinski, Mateusz; Kaczmarek-Kędziera, Anna; Łakomska, Iwona; Wojtulewski, Slawomir; Muzioł, Tadeusz M. New dinuclear zinc(ii) complexes with Schiff bases obtained from o-phenylenediamine and their application as fluorescent materials in spin coating deposition RSC Advances, 2021, 11, 24515-24525
7243229	CIF	C17 H25 N3	P 1 21/c 1	9.7065; 18.7394; 8.5024 90; 99.072; 90	1527.2	Mohlala, Reagan L.; Coyanis, E. Mabel; Fernandes, Manuel A.; Bode, Moira L. Catalyst-free synthesis of novel 1,5-benzodiazepines and 3,4-dihydroquinoxalines using isocyanide-based one-pot, three- and four-component reactions RSC Advances, 2021, 11, 24466-24473
7243230	CIF	C19 H29 N3	P 1 21/n 1	12.5443; 10.8032; 13.1304 90; 90.6124; 90	1779.31	Mohlala, Reagan L.; Coyanis, E. Mabel; Fernandes, Manuel A.; Bode, Moira L. Catalyst-free synthesis of novel 1,5-benzodiazepines and 3,4-dihydroquinoxalines using isocyanide-based one-pot, three- and four-component reactions RSC Advances, 2021, 11, 24466-24473
7243231	CIF	C18 H27 Cl2 N3	P 21 21 21	8.1778; 10.86; 21.2146 90; 90; 90	1884.09	Mohlala, Reagan L.; Coyanis, E. Mabel; Fernandes, Manuel A.; Bode, Moira L. Catalyst-free synthesis of novel 1,5-benzodiazepines and 3,4-dihydroquinoxalines using isocyanide-based one-pot, three- and four-component reactions RSC Advances, 2021, 11, 24466-24473
7243232	CIF	C14 H19 Cl2 N3	P 21 21 21	8.4799; 11.2725; 16.0259 90; 90; 90	1531.91	Mohlala, Reagan L.; Coyanis, E. Mabel; Fernandes, Manuel A.; Bode, Moira L. Catalyst-free synthesis of novel 1,5-benzodiazepines and 3,4-dihydroquinoxalines using isocyanide-based one-pot, three- and four-component reactions RSC Advances, 2021, 11, 24466-24473
7243233	CIF	C22 H34 N2 O17 Zn	P -1	7.6374; 14.0781; 14.1339 99.701; 105.305; 99.451	1409.59	Zhao, Guozheng; Liu, Jinjian The modulation effect of pi‒pi interactions on the electronic and photochromic properties of viologen complexes containing N,N′-bis(carboxyethyl)-4,4′-bipyridinium RSC Advances, 2021, 11, 24500-24507
7243234	CIF	C22 H34 Co N2 O17	P -1	7.6409; 14.075; 14.1402 99.692; 105.46; 99.329	1410.07	Zhao, Guozheng; Liu, Jinjian The modulation effect of pi‒pi interactions on the electronic and photochromic properties of viologen complexes containing N,N′-bis(carboxyethyl)-4,4′-bipyridinium RSC Advances, 2021, 11, 24500-24507
7243235	CIF	C18 H24 Cl2 N12 Re6 S8	P 1 21/c 1	11.0944; 16.4078; 20.5808 90; 99.941; 90	3690.2	Ly, Giang Thi; Choi, Jun; Kim, Youngmee; Kim, Yuna; Kim, Sujin; Yang, So-Hyeon; Kim, Sung-Jin One-dimensional lead iodide hybrid stabilized by inorganic hexarhenium cluster cations as a new broad-band emitter RSC Advances, 2021, 11, 24580-24587
7243236	CIF	C42 H80 I8 N20 O8 Pb3 Re6 S8	P -1	10.5488; 11.229; 19.1582 90.416; 93.892; 97.737	2243.18	Ly, Giang Thi; Choi, Jun; Kim, Youngmee; Kim, Yuna; Kim, Sujin; Yang, So-Hyeon; Kim, Sung-Jin One-dimensional lead iodide hybrid stabilized by inorganic hexarhenium cluster cations as a new broad-band emitter RSC Advances, 2021, 11, 24580-24587
7243237	CIF	C17 H20 Cl N3 O3	P 1 21/c 1	15.4376; 5.92226; 19.0732 90; 100.548; 90	1714.31	Zhoujin, Yunping; Zhang, Mingtao; Parkin, Sean; Li, Tonglei; Yu, Faquan; Long, Sihui A new solvate of clonixin and a comparison of the two clonixin solvates RSC Advances, 2021, 11, 24836-24842
7243238	CIF	C48 H46 N4 O10 Re2	P -1	7.9279; 9.0455; 17.152 78.981; 89.505; 75.427	1167.5	Jacobs, Frederick J. F.; Venter, Gertruida J. S.; Fourie, Eleanor; Kroon, Robin E.; Brink, Alice Substitution reactivity and structural variability induced by tryptamine on the biomimetic rhenium tricarbonyl complex RSC Advances, 2021, 11, 24443-24455
7243239	CIF	C39 H32 N2 O4 P Re	P 1 21/n 1	10.506; 26.642; 12.3068 90; 106.455; 90	3303.6	Jacobs, Frederick J. F.; Venter, Gertruida J. S.; Fourie, Eleanor; Kroon, Robin E.; Brink, Alice Substitution reactivity and structural variability induced by tryptamine on the biomimetic rhenium tricarbonyl complex RSC Advances, 2021, 11, 24443-24455
7243240	CIF	C20 H16 N4	P 1 21/m 1	7.2371; 6.8632; 16.2164 90; 101.478; 90	789.35	Ramle, Abdul Qaiyum; Fei, Chee Chin; Tiekink, Edward R. T.; Basirun, Wan Jefrey Indoleninyl-substituted pyrimido[1,2-b]indazoles via a facile condensation reaction RSC Advances, 2021, 11, 24647-24651
7243241	CIF	C40 H29 N3 O9 Zn2	C 1 2/c 1	25.237; 19.307; 15.041 90; 107.575; 90	6987	Chuang, Po-Min; Wu, Jing-Yun A highly stable Zn coordination polymer exhibiting pH-dependent fluorescence and as a visually ratiometric and on‒off fluorescent sensor CrystEngComm, 2021, 23, 5226-5240
7243242	CIF	C16 H24 Cl N O3	P 21 21 21	6.82; 8.8363; 26.14 90; 90; 90	1575.29	Bereczki, Laura; Zodge, Amit; Kőrösi, Márton; Holczbauer, Tamás; De, Sourav; Székely, Edit; Bombicz, Petra A bug in enantiomer separation: double salt formation ‒ diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate CrystEngComm, 2021, 23, 5367-5376
7243243	CIF	C16 H24 Cl N O3	P 1 21 1	9.637; 25.3851; 13.5859 90; 90.277; 90	3323.56	Bereczki, Laura; Zodge, Amit; Kőrösi, Márton; Holczbauer, Tamás; De, Sourav; Székely, Edit; Bombicz, Petra A bug in enantiomer separation: double salt formation ‒ diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate CrystEngComm, 2021, 23, 5367-5376
7243244	CIF	C16 H24 Cl N O3	P 1 21 1	10.464; 10.4673; 29.8915 90; 96.843; 90	3250.7	Bereczki, Laura; Zodge, Amit; Kőrösi, Márton; Holczbauer, Tamás; De, Sourav; Székely, Edit; Bombicz, Petra A bug in enantiomer separation: double salt formation ‒ diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate CrystEngComm, 2021, 23, 5367-5376
7243245	CIF	C16 H24 Cl N O3	P 21 21 21	6.7938; 8.6704; 27.7144 90; 90; 90	1632.52	Bereczki, Laura; Zodge, Amit; Kőrösi, Márton; Holczbauer, Tamás; De, Sourav; Székely, Edit; Bombicz, Petra A bug in enantiomer separation: double salt formation ‒ diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate CrystEngComm, 2021, 23, 5367-5376
7243246	CIF	C16 H24 Cl N O3	C 1 2 1	24.2266; 10.0661; 13.3665 90; 92.533; 90	3256.5	Bereczki, Laura; Zodge, Amit; Kőrösi, Márton; Holczbauer, Tamás; De, Sourav; Székely, Edit; Bombicz, Petra A bug in enantiomer separation: double salt formation ‒ diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate CrystEngComm, 2021, 23, 5367-5376
7243247	CIF	C16 H24 Cl N O3	P 1 21 1	9.0572; 29.711; 12.6381 90; 93.337; 90	3395.1	Bereczki, Laura; Zodge, Amit; Kőrösi, Márton; Holczbauer, Tamás; De, Sourav; Székely, Edit; Bombicz, Petra A bug in enantiomer separation: double salt formation ‒ diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate CrystEngComm, 2021, 23, 5367-5376
7243248	CIF	C73 H126 Fe10 N4 Na2 O41	C 1 2/c 1	25.2017; 18.1205; 24.0709 90; 105.576; 90	10588.7	Podgornii, Daniel; van Leusen, Jan; Kravtsov, Victor Ch.; Kögerler, Paul; Baca, Svetlana G. A {Na2Fe10} isobutyrate cluster, interlinked into 1D chains CrystEngComm, 2021, 23, 5153-5156
7243249	CIF	C14 H24 B Cl O3 Si2	P 1 21/n 1	7.7496; 21.2931; 11.3262 90; 96.315; 90	1857.63	Pacholak, P.; Krajewska, J.; Wińska, P.; Dunikowska, J.; Gogowska, U.; Mierzejewska, J.; Durka, K.; Woźniak, K.; Laudy, A. E.; Luliński, S. Development of structurally extended benzosiloxaboroles ‒ synthesis and in vitro biological evaluation RSC Advances, 2021, 11, 25104-25121
7243250	CIF	C9 H12 B Cl O3 Si	P -1	8.8909; 13.0768; 21.5996 105.046; 100.815; 90.79	2376.92	Pacholak, P.; Krajewska, J.; Wińska, P.; Dunikowska, J.; Gogowska, U.; Mierzejewska, J.; Durka, K.; Woźniak, K.; Laudy, A. E.; Luliński, S. Development of structurally extended benzosiloxaboroles ‒ synthesis and in vitro biological evaluation RSC Advances, 2021, 11, 25104-25121
7243251	CIF	C13 H12 B Cl F N O3 Si	P 1 21/n 1	8.456; 18.7604; 9.4974 90; 93.128; 90	1504.4	Pacholak, P.; Krajewska, J.; Wińska, P.; Dunikowska, J.; Gogowska, U.; Mierzejewska, J.; Durka, K.; Woźniak, K.; Laudy, A. E.; Luliński, S. Development of structurally extended benzosiloxaboroles ‒ synthesis and in vitro biological evaluation RSC Advances, 2021, 11, 25104-25121
7243252	CIF	C14 H14 B Cl O5 S Si	P 1 21/c 1	11.1357; 7.9341; 18.6956 90; 93.418; 90	1648.85	Pacholak, P.; Krajewska, J.; Wińska, P.; Dunikowska, J.; Gogowska, U.; Mierzejewska, J.; Durka, K.; Woźniak, K.; Laudy, A. E.; Luliński, S. Development of structurally extended benzosiloxaboroles ‒ synthesis and in vitro biological evaluation RSC Advances, 2021, 11, 25104-25121
7243253	CIF	C15 H13 B Cl F3 O5 S Si	P 1 21/n 1	15.639; 7.9654; 16.704 90; 116.4; 90	1863.8	Pacholak, P.; Krajewska, J.; Wińska, P.; Dunikowska, J.; Gogowska, U.; Mierzejewska, J.; Durka, K.; Woźniak, K.; Laudy, A. E.; Luliński, S. Development of structurally extended benzosiloxaboroles – synthesis and in vitro biological evaluation RSC Advances, 2021, 11, 25104-25121
7243254	CIF	C15 H14 B Cl O4 Si	P 1 21/c 1	10.1341; 12.5199; 12.6193 90; 91.705; 90	1600.4	Pacholak, P.; Krajewska, J.; Wińska, P.; Dunikowska, J.; Gogowska, U.; Mierzejewska, J.; Durka, K.; Woźniak, K.; Laudy, A. E.; Luliński, S. Development of structurally extended benzosiloxaboroles ‒ synthesis and in vitro biological evaluation RSC Advances, 2021, 11, 25104-25121
7243255	CIF	C64 H72 B8 Cl8 F16 K10 O29 Si8	P 42/m	16.7599; 16.7599; 19.4746 90; 90; 90	5470.3	Pacholak, P.; Krajewska, J.; Wińska, P.; Dunikowska, J.; Gogowska, U.; Mierzejewska, J.; Durka, K.; Woźniak, K.; Laudy, A. E.; Luliński, S. Development of structurally extended benzosiloxaboroles ‒ synthesis and in vitro biological evaluation RSC Advances, 2021, 11, 25104-25121
7243256	CIF	Ge1.35 Ho Pd0.65	P 6/m m m	6.19278; 6.19278; 8.24802 90; 90; 120	273.938	Litzbarski, Leszek S.; Klimczuk, Tomasz; Winiarski, Michał J. Ho2Pd1.3Ge2.7 ‒ a ternary AlB2-type cluster glass system RSC Advances, 2021, 11, 25187-25193
7243257	CIF	C9 H14 N O4.5	C 1 2 1	9.9671; 7.2; 14.1385 90; 92.803; 90	1013.41	Yamaguchi, Ryota; Tanaka, Rika; Maetani, Mayu; Tabe, Hiroyasu; Yamada, Yusuke Efficient capturing of hydrogen peroxide in dilute aqueous solution by co-crystallization with amino acids CrystEngComm, 2021, 23, 5456-5462
7243258	CIF	C9 H13 N O3.9675	P c a 21	11.6333; 5.9869; 28.5029 90; 90; 90	1985.15	Yamaguchi, Ryota; Tanaka, Rika; Maetani, Mayu; Tabe, Hiroyasu; Yamada, Yusuke Efficient capturing of hydrogen peroxide in dilute aqueous solution by co-crystallization with amino acids CrystEngComm, 2021, 23, 5456-5462
7243259	CIF	C4 H10 N2 O5	P -1	4.7744; 7.3961; 9.8715 90.222; 90.124; 101.127	342.03	Yamaguchi, Ryota; Tanaka, Rika; Maetani, Mayu; Tabe, Hiroyasu; Yamada, Yusuke Efficient capturing of hydrogen peroxide in dilute aqueous solution by co-crystallization with amino acids CrystEngComm, 2021, 23, 5456-5462
7243260	CIF	C4 H10 N2 O4	P 21 21 21	5.571; 9.766; 11.738 90; 90; 90	638.6	Yamaguchi, Ryota; Tanaka, Rika; Maetani, Mayu; Tabe, Hiroyasu; Yamada, Yusuke Efficient capturing of hydrogen peroxide in dilute aqueous solution by co-crystallization with amino acids CrystEngComm, 2021, 23, 5456-5462
7243261	CIF	F12 H48 N10 O30 P6 Zr6	P 1 21/n 1	15.502; 7.5316; 19.141 90; 102.593; 90	2181	Yu, Jing-Wei; Yu, Hai-Jiao; Yao, Zhi-Yuan; Li, Zi-Han; Ren, Qiu; Luo, Hong-Bin; Zou, Yang; Wang, Lifeng; Ren, Xiao-Ming A water-stable open-framework zirconium(iv) phosphate and its water-assisted high proton conductivity CrystEngComm, 2021, 23, 6093-6097
7243262	CIF	C30 H30 Cu N4 O8	P 1 21/c 1	6.7098; 21.4689; 9.428 90; 91.889; 90	1357.38	Fugu, Mohammed B.; Coley, Joe; Dickinson, Isabella F.; Orton, James B.; Klooster, Wim; Gleeson, M. Paul; Jones, Leigh F. Slight ligand modifications within multitopic linear hydroxamates promotes connectivity differences in Cu(ii) 1-D coordination polymers CrystEngComm, 2021, 23, 5531-5539
7243263	CIF	C30 H34 Cu N4 O8	P 1 21/c 1	8.6156; 11.3142; 14.8436 90; 100.887; 90	1420.89	Fugu, Mohammed B.; Coley, Joe; Dickinson, Isabella F.; Orton, James B.; Klooster, Wim; Gleeson, M. Paul; Jones, Leigh F. Slight ligand modifications within multitopic linear hydroxamates promotes connectivity differences in Cu(ii) 1-D coordination polymers CrystEngComm, 2021, 23, 5531-5539
7243264	CIF	C30 H26 N4 O4	P -1	9.4525; 11.1197; 14.5433 97.639; 108.409; 106.008	1352.99	Witte, Felix; Rietsch, Philipp; Nirmalananthan-Budau, Nithiya; Weigert, Florian; Götze, Jan Phillip; Resch-Genger, Ute; Eigler, Siegfried; Paulus, Beate Aggregation-induced emission leading to two distinct emissive species in the solid-state structure of high-dipole organic chromophores Physical Chemistry Chemical Physics, 2021
7243265	CIF	C46 H84 O16 Ti4	P 1 21/n 1	12.216; 19.637; 23.021 90; 99.56; 90	5446	Kazimierczuk, Katarzyna; Milanesio, Marco; Dołęga, Anna; Palin, Luca; Walencik, Maja; Jurkowski, Michał; Conterosito, Eleonora Solvothermal synthesis and structural characterization of three polyoxotitanium-organic acid clusters RSC Advances, 2021, 11, 25068-25078
7243266	CIF	C96 H96 O24 Ti6	P -1	12.19; 13.515; 15.26 107.574; 92.097; 105.434	2291.5	Kazimierczuk, Katarzyna; Milanesio, Marco; Dołęga, Anna; Palin, Luca; Walencik, Maja; Jurkowski, Michał; Conterosito, Eleonora Solvothermal synthesis and structural characterization of three polyoxotitanium-organic acid clusters RSC Advances, 2021, 11, 25068-25078
7243267	CIF	C80 H96 O28 Ti6	P -1	14.9415; 15.493; 20.12 72.82; 83.873; 78.346	4352.5	Kazimierczuk, Katarzyna; Milanesio, Marco; Dołęga, Anna; Palin, Luca; Walencik, Maja; Jurkowski, Michał; Conterosito, Eleonora Solvothermal synthesis and structural characterization of three polyoxotitanium-organic acid clusters RSC Advances, 2021, 11, 25068-25078
7243268	CIF	C13 H13 N O5	P n m a	10.1584; 6.6612; 18.5993 90; 90; 90	1258.56	Duan, Guiyun; Liu, Hao; Zhang, Liqing; Yuan, Chunhao; Li, Yongchao; Ge, Yanqing Access to 6-hydroxy indolizines and related imidazo[1,5-a]pyridines through the SN2 substitution/condensation/tautomerization cascade process RSC Advances, 2021, 11, 25624-25627
7243269	CIF	C69 H65 N27 O23 Zn4	P 1 21/c 1	13.506; 17.59; 18.041 90; 97.01; 90	4254	Zhou, Yan; Han, Lei; Chen, Wen-Jie Inter-ligand charge-transfer interactions in a photochromic and redox active zinc–organic framework CrystEngComm, 2021, 23, 5982-5988
7243270	CIF	C20 H17 Br2 N3	P 1 21/n 1	14.62006; 5.80584; 22.6165 90; 104.199; 90	1861.08	Yang, Jingya; Song, Menghui; Zhou, Hongyan; Qi, Yanfang; Ma, Ben; Wang, Xi-Cun Visible-light-promoted decarboxylative addition cyclization of N-aryl glycines and azobenzenes to access 1,2,4-triazolidines Green Chemistry, 2021, 23, 5806-5811
7243271	CIF	C20 H17 Br2 N3	P 1 21/n 1	14.62006; 5.80584; 22.6165 90; 104.199; 90	1861.08	Yang, Jingya; Song, Menghui; Zhou, Hongyan; Qi, Yanfang; Ma, Ben; Wang, Xi-Cun Visible-light-promoted decarboxylative addition cyclization of N-aryl glycines and azobenzenes to access 1,2,4-triazolidines Green Chemistry, 2021, 23, 5806-5811
7243272	CIF	C29 H21 Co N4 O5	P 1 21/c 1	10.3161; 14.7176; 16.3208 90; 98.968; 90	2447.67	Zhao, Dongsheng; Song, Junqi; Zhang, Xiutang; Wang, Feng; Li, Bei; Yang, Lulu; Deng, Yuxin; Li, Qingbo; Fan, Liming A pillar-layered binuclear 3D cobalt(ii) coordination polymer as an electrocatalyst for overall water splitting and as a chemosensor for Cr(vi) anion detection CrystEngComm, 2021, 23, 6245-6252
7243273	CIF	C10 H8 Hg I2 N4 O	P 1 21/c 1	4.928; 17.0736; 16.567 90; 91.691; 90	1393.32	Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G. Hydrogen bond synthons affect the coordination geometry of d10-metal halide complexes: synthetic methods, theoretical studies, and supramolecular architectures CrystEngComm, 2021, 23, 6276-6290
7243274	CIF	C20 H16 Cd I2 N8 O2	F d d 2	19.052; 59.023; 4.0392 90; 90; 90	4542.1	Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G. Hydrogen bond synthons affect the coordination geometry of d10-metal halide complexes: synthetic methods, theoretical studies, and supramolecular architectures CrystEngComm, 2021, 23, 6276-6290
7243275	CIF	C10 H8 Br2 Hg N4 O	P 1 21/n 1	3.9055; 34.576; 9.6848 90; 101.416; 90	1281.9	Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G. Hydrogen bond synthons affect the coordination geometry of d10-metal halide complexes: synthetic methods, theoretical studies, and supramolecular architectures CrystEngComm, 2021, 23, 6276-6290
7243276	CIF	C10 H8 Cl2 Hg N4 O	P 1 21/c 1	3.8092; 33.691; 9.6053 90; 100.534; 90	1211.9	Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G. Hydrogen bond synthons affect the coordination geometry of d10-metal halide complexes: synthetic methods, theoretical studies, and supramolecular architectures CrystEngComm, 2021, 23, 6276-6290
7243277	CIF	C20 H16 Cl2 N8 O2 Zn	P -1	7.5409; 11.8032; 13.1436 79.856; 89.98; 74.499	1108.35	Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G. Hydrogen bond synthons affect the coordination geometry of d10-metal halide complexes: synthetic methods, theoretical studies, and supramolecular architectures CrystEngComm, 2021, 23, 6276-6290
7243278	CIF	C22 H17 F3 O3 S2	P -1	8.0894; 8.6805; 16.3072 80.083; 79.077; 79.493	1094.2	Qin, Long-Zhou; Yuan, Xin; Liu, Jie; Wu, Meng-Yu; Sun, Qi; Duan, Xiu; Zhang, Xin-Peng; Qiu, Jiang-Kai; Guo, Kai Continuous-flow processes for the S-alkynylation of cysteine-containing peptides and thioglycosides under catalyst-free, oxidant-free and mild conditions Green Chemistry, 2021, 23, 6598-6603
7243279	CIF	C24 H29 N3 O5	P 1 21/c 1	11.298; 13.398; 15.678 90; 107.247; 90	2266.5	Tantawy, Ahmed H.; Meng, Xiang-Gao; Marzouk, Adel A.; Fouad, Ali; Abdelazeem, Ahmed H.; Youssif, Bahaa G. M.; Jiang, Hong; Wang, Man-Qun Structure-based design, synthesis, and biological evaluation of novel piperine‒resveratrol hybrids as antiproliferative agents targeting SIRT-2 RSC Advances, 2021, 11, 25738-25751
7243280	CIF	C25 H18 F2 N2 O3	P -1	5.329; 10.708; 15.496 83.878; 87.608; 82.24	870.8	Tantawy, Ahmed H.; Meng, Xiang-Gao; Marzouk, Adel A.; Fouad, Ali; Abdelazeem, Ahmed H.; Youssif, Bahaa G. M.; Jiang, Hong; Wang, Man-Qun Structure-based design, synthesis, and biological evaluation of novel piperine‒resveratrol hybrids as antiproliferative agents targeting SIRT-2 RSC Advances, 2021, 11, 25738-25751
7243281	CIF	C21 H24.75 N3 O4.42	P 1 21/n 1	13.6957; 6.3687; 24.058 90; 104.09; 90	2035.3	Tantawy, Ahmed H.; Meng, Xiang-Gao; Marzouk, Adel A.; Fouad, Ali; Abdelazeem, Ahmed H.; Youssif, Bahaa G. M.; Jiang, Hong; Wang, Man-Qun Structure-based design, synthesis, and biological evaluation of novel piperine‒resveratrol hybrids as antiproliferative agents targeting SIRT-2 RSC Advances, 2021, 11, 25738-25751
7243282	CIF	C20 H20 N2 O5	P 1 21/n 1	10.9249; 6.574; 25.7341 90; 94.79; 90	1841.78	Tantawy, Ahmed H.; Meng, Xiang-Gao; Marzouk, Adel A.; Fouad, Ali; Abdelazeem, Ahmed H.; Youssif, Bahaa G. M.; Jiang, Hong; Wang, Man-Qun Structure-based design, synthesis, and biological evaluation of novel piperine‒resveratrol hybrids as antiproliferative agents targeting SIRT-2 RSC Advances, 2021, 11, 25738-25751
7243283	CIF	C20 H20 N2 O6	P 1 21/c 1	6.6192; 19.7039; 14.2723 90; 99.079; 90	1838.1	Tantawy, Ahmed H.; Meng, Xiang-Gao; Marzouk, Adel A.; Fouad, Ali; Abdelazeem, Ahmed H.; Youssif, Bahaa G. M.; Jiang, Hong; Wang, Man-Qun Structure-based design, synthesis, and biological evaluation of novel piperine‒resveratrol hybrids as antiproliferative agents targeting SIRT-2 RSC Advances, 2021, 11, 25738-25751
7243284	CIF	C20 H18 N2 O5	P 1 21/c 1	18.1988; 4.8105; 22.1672 90; 112.874; 90	1788.03	Tantawy, Ahmed H.; Meng, Xiang-Gao; Marzouk, Adel A.; Fouad, Ali; Abdelazeem, Ahmed H.; Youssif, Bahaa G. M.; Jiang, Hong; Wang, Man-Qun Structure-based design, synthesis, and biological evaluation of novel piperine‒resveratrol hybrids as antiproliferative agents targeting SIRT-2 RSC Advances, 2021, 11, 25738-25751
7243285	CIF	C56 H62 Mo12 N14 O54	P 1 21/c 1	11.0881; 33.6789; 12.0491 90; 108.137; 90	4275.99	Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study CrystEngComm, 2021, 23, 6349-6358
7243286	CIF	C34 H42 Mo10 N10 O40	P -1	7.9678; 10.7556; 18.9607 83.396; 83.567; 73.581	1542.89	Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study CrystEngComm, 2021, 23, 6349-6358
7243287	CIF	C56 H74 Mo12 N14 O60	P -1	9.4085; 16.2433; 17.3878 116.276; 95.232; 93.035	2359.8	Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study CrystEngComm, 2021, 23, 6349-6358
7243288	CIF	C38 H38 Mo8 N12 O29	P -1	9.3622; 10.7026; 15.853 106.074; 92.475; 107.934	1437.8	Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study CrystEngComm, 2021, 23, 6349-6358
7243289	CIF	C36 H40 Mo8 N10 O31	P -1	10.8617; 10.9074; 13.8765 97.652; 107.915; 114.577	1356.26	Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study CrystEngComm, 2021, 23, 6349-6358
7243290	CIF	C28 H24 Mo8 N6 O29	P -1	7.5406; 8.665; 17.325 103.429; 90.359; 89.999	1101	Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study CrystEngComm, 2021, 23, 6349-6358
7243291	CIF	C34 H47 Mo10 N9 O42	P -1	10.2611; 10.5249; 15.9967 100.373; 104.041; 106.41	1549.28	Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study CrystEngComm, 2021, 23, 6349-6358
7243292	CIF	C26 H24 Mo8 N6 O31	P 1 21/c 1	7.6794; 9.3605; 29.2326 90; 89.706; 90	2101.3	Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study CrystEngComm, 2021, 23, 6349-6358
7243293	CIF	C32 H42 Mo10 N8 O41	P -1	10.5703; 11.3121; 14.2003 107.159; 102.412; 105.877	1477.54	Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study CrystEngComm, 2021, 23, 6349-6358
7243294	CIF	C34 H32 Mo8 N10 O29	C 1 2/c 1	21.0479; 8.6686; 29.2039 90; 95.92; 90	5300	Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study CrystEngComm, 2021, 23, 6349-6358
7243295	CIF	C34 H36 Eu N7 O19	P -1	10.6395; 13.2614; 14.0523 94.619; 90.613; 93.445	1972.45	Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K. Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids CrystEngComm, 2021, 23, 5994-6011
7243296	CIF	C40 H41 Co N10 O11	P -1	10.5802; 14.8763; 15.6669 64.083; 86.853; 72.573	2107.8	Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K. Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids CrystEngComm, 2021, 23, 5994-6011
7243297	CIF	C75 H80 Co Eu2 N17 O32	P 1 21/c 1	10.2652; 20.5445; 39.9674 90; 96.8; 90	8369.6	Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K. Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids CrystEngComm, 2021, 23, 5994-6011
7243298	CIF	C34 H36 Eu N7 O19	P -1	10.6395; 13.2614; 14.0523 94.619; 90.613; 93.445	1972.45	Wang, Yi-Wen; Li, Meng-Hua; Zhang, Shu-Quan; Fang, Xin; Lin, Mei-Jin Photochromic and photocontrolled luminescent rare-earth D–A hybrid crystals based on rigid viologen acceptors CrystEngComm, 2021, 23, 6267-6275
7243299	CIF	C40 H41 Co N10 O11	P -1	10.5802; 14.8763; 15.6669 64.083; 86.853; 72.573	2107.8	Wang, Yi-Wen; Li, Meng-Hua; Zhang, Shu-Quan; Fang, Xin; Lin, Mei-Jin Photochromic and photocontrolled luminescent rare-earth D–A hybrid crystals based on rigid viologen acceptors CrystEngComm, 2021, 23, 6267-6275
7243300	CIF	C75 H80 Co Eu2 N17 O32	P 1 21/c 1	10.2652; 20.5445; 39.9674 90; 96.8; 90	8369.6	Wang, Yi-Wen; Li, Meng-Hua; Zhang, Shu-Quan; Fang, Xin; Lin, Mei-Jin Photochromic and photocontrolled luminescent rare-earth D–A hybrid crystals based on rigid viologen acceptors CrystEngComm, 2021, 23, 6267-6275
7243301	CIF	C22 H28 N2 O6 S2	P 1 21/c 1	6.3273; 12.3383; 29.2787 90; 95.255; 90	2276.1	Wu, Yanhui; Hao, Xiujia; Li, Jianting; Guan, Aiying; Zhou, Zhengzheng; Guo, Fang New insight into improving the solubility of poorly soluble drugs by preventing the formation of their hydrogen-bonds: a case of dapsone salts with camphorsulfonic and 5-sulfosalicylic acid CrystEngComm, 2021, 23, 6191-6198
7243302	CIF	C26 H24 N2 O14 S3	C 1 2/c 1	39.252; 13.2429; 11.3983 90; 103.326; 90	5765.4	Wu, Yanhui; Hao, Xiujia; Li, Jianting; Guan, Aiying; Zhou, Zhengzheng; Guo, Fang New insight into improving the solubility of poorly soluble drugs by preventing the formation of their hydrogen-bonds: a case of dapsone salts with camphorsulfonic and 5-sulfosalicylic acid CrystEngComm, 2021, 23, 6191-6198
7243303	CIF	C18 H18 N2 O3	P -1	8.4879; 9.8238; 10.6092 110.924; 95.681; 108.558	760.4	Han, Zhi-Peng; Xu, Meng-Meng; Zhang, Rui-Ying; Xu, Xiao-Ping; Ji, Shun-Jun Rh(iii)-Catalyzed C(sp2)‒H functionalization/cyclization cascade of N-carboxamide indole and iodonium reagents for access to indoloquinazolinone derivatives Green Chemistry, 2021, 23, 6337-6340
7243304	CIF	C18 H16 B F2 I2 N3	C m c m	16.724; 15.302; 7.6345 90; 90; 90	1953.7	Özcan, Emrah; Dedeoglu, Burcu; Chumakov, Yurii; Zorlu, Yunus; Çoşut, Bünyemin; Ayhan, Mehmet Menaf Modulation of supramolecular self-assembly of BODIPY tectons via halogen bonding CrystEngComm, 2021, 23, 6365-6375
7243305	CIF	C24 H21 B F2 I N3	P -1	10.8154; 15.2133; 16.0136 64.677; 83.593; 75.477	2305.5	Özcan, Emrah; Dedeoglu, Burcu; Chumakov, Yurii; Zorlu, Yunus; Çoşut, Bünyemin; Ayhan, Mehmet Menaf Modulation of supramolecular self-assembly of BODIPY tectons via halogen bonding CrystEngComm, 2021, 23, 6365-6375
7243306	CIF	C24 H21 B F2 I N3	P c a 21	16.712; 7.8829; 34.6268 90; 90; 90	4561.7	Özcan, Emrah; Dedeoglu, Burcu; Chumakov, Yurii; Zorlu, Yunus; Çoşut, Bünyemin; Ayhan, Mehmet Menaf Modulation of supramolecular self-assembly of BODIPY tectons via halogen bonding CrystEngComm, 2021, 23, 6365-6375
7243307	CIF	C12 Br2 F8	P 1 21/n 1	13.2078; 7.3883; 13.6241 90; 110.544; 90	1244.93	Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T. One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes CrystEngComm, 2021, 23, 6098-6106
7243308	CIF	C20 H12 F8 I2 N2	C 1 2/c 1	13.857; 13.7638; 11.5041 90; 104.737; 90	2121.94	Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T. One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes CrystEngComm, 2021, 23, 6098-6106
7243309	CIF	C18 H12 Br2 F4 N2	P -1	6.8796; 7.4209; 9.2086 82.848; 82.965; 75.554	449.67	Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T. One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes CrystEngComm, 2021, 23, 6098-6106
7243310	CIF	C12 H8 F4 I2 N2	P -1	5.7357; 6.2412; 10.6257 86.11; 74.656; 77.418	357.986	Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T. One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes CrystEngComm, 2021, 23, 6098-6106
7243311	CIF	C20 H6 Br2 F8 N2	P 1 21/c 1	8.0424; 7.0976; 33.8513 90; 94.497; 90	1926.34	Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T. One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes CrystEngComm, 2021, 23, 6098-6106
7243312	CIF	C24 H10 Br2 F8 N2	P -1	7.3598; 11.2484; 13.8819 88.308; 78.403; 76.782	1095.78	Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T. One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes CrystEngComm, 2021, 23, 6098-6106
7243313	CIF	C22 H8 F8 I2 N2	P -1	7.9217; 11.1526; 12.8382 105.19; 107.58; 90.334	1039.01	Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T. One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes CrystEngComm, 2021, 23, 6098-6106
7243314	CIF	C12 H8 Br2 F4 N2	P -1	4.8003; 6.6036; 10.9521 83.796; 84.121; 79.072	337.69	Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T. One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes CrystEngComm, 2021, 23, 6098-6106
7243315	CIF	C18 H8 Br2 F8 N2	P n a 21	12.9213; 12.3927; 11.7294 90; 90; 90	1878.23	Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T. One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes CrystEngComm, 2021, 23, 6098-6106
7243316	CIF	C22 H8 F8 I2 N2	P 1 21/c 1	7.7281; 7.6981; 36.2272 90; 91.551; 90	2154.43	Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T. One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes CrystEngComm, 2021, 23, 6098-6106
7243317	CIF	C20 H12 Br2 F8 N2	C 1 2/c 1	13.3837; 13.8699; 11.1754 90; 102.784; 90	2023.1	Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T. One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes CrystEngComm, 2021, 23, 6098-6106
7243318	CIF	C24 H12 Br2 F8 N2	P -1	7.776; 10.0737; 14.895 81.781; 78.26; 83.082	1125.59	Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T. One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes CrystEngComm, 2021, 23, 6098-6106
7243319	CIF	C22 H24 Br2 F4 N4	P 1 21/n 1	7.0459; 14.8959; 11.1802 90; 102.71; 90	1144.66	Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T. One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes CrystEngComm, 2021, 23, 6098-6106
7243320	CIF	C36 H10 Br4 F16 N2	P -1	7.4148; 11.4097; 21.198 90.035; 90.01; 107.163	1713.5	Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T. One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes CrystEngComm, 2021, 23, 6098-6106
7243321	CIF	C22 H8 Br2 F8 N2	P -1	7.7409; 11.2944; 12.7419 73.313; 72.443; 89.944	1012.9	Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T. One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes CrystEngComm, 2021, 23, 6098-6106
7243322	CIF	C14 H6 Br2 F4 N2	P 1 21/n 1	11.499; 6.267; 19.965 90; 98.291; 90	1423.7	Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T. One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes CrystEngComm, 2021, 23, 6098-6106
7243323	CIF	C18 H12 F8 I2 N2	P 1 21/n 1	13.5292; 10.9229; 14.122 90; 108.47; 90	1979.4	Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T. One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes CrystEngComm, 2021, 23, 6098-6106
7243324	CIF	C24 H10 F8 I2 N2	P -1	7.9651; 10.8942; 14.4024 108.756; 105.483; 90.273	1134.8	Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T. One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes CrystEngComm, 2021, 23, 6098-6106
7243325	CIF	C18 H12 Br2 F8 N2	P 1 21/n 1	13.1047; 10.8097; 14.146 90; 107.369; 90	1912.5	Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T. One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes CrystEngComm, 2021, 23, 6098-6106
7243326	CIF	C18 H12 F4 I2 N2	A e a 2	13.1529; 18.502; 15.239 90; 90; 90	3708.5	Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T. One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes CrystEngComm, 2021, 23, 6098-6106
7243327	CIF	C45 H18 Br6 F24 N3	P -1	7.938; 10.577; 29.826 91.873; 94.086; 105.304	2405.8	Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T. One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes CrystEngComm, 2021, 23, 6098-6106
7243328	CIF	C24 H8 F8 I2 N2	P -1	7.7139; 12.2385; 13.5005 113.307; 99.272; 94.932	1139.37	Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T. One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes CrystEngComm, 2021, 23, 6098-6106
7243329	CIF	C24 H8 Br2 F8 N2	P -1	7.6092; 12.2473; 12.89 111.115; 100.664; 95.114	1085.22	Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T. One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes CrystEngComm, 2021, 23, 6098-6106
7243330	CIF	C20 H6 F8 I2 N2	P 1 21/c 1	8.2738; 6.9896; 34.5606 90; 93.006; 90	1995.9	Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T. One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes CrystEngComm, 2021, 23, 6098-6106
7243331	CIF	C16 H8 Br2 F4 N2	P -1	6.8925; 7.6625; 8.623 108.019; 97.023; 109.558	394.92	Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T. One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes CrystEngComm, 2021, 23, 6098-6106
7243332	CIF	C44 H16 Br4 F16 N4	P 1 21/c 1	7.6382; 15.066; 35.9783 90; 90.815; 90	4139.9	Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T. One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes CrystEngComm, 2021, 23, 6098-6106
7243333	CIF	C18 H8 F8 I2 N2	P n a 21	12.6612; 12.5742; 12.2189 90; 90; 90	1945.3	Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T. One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes CrystEngComm, 2021, 23, 6098-6106
7243334	CIF	C13 H10 F4 I2 N2	P -1	7.7759; 9.1295; 11.648 97.062; 95.417; 110.587	759.74	Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T. One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes CrystEngComm, 2021, 23, 6098-6106
7243335	CIF	C24 H12 F8 I2 N2	P -1	7.9933; 10.05; 15.0745 80.124; 78.66; 83.953	1166.52	Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T. One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes CrystEngComm, 2021, 23, 6098-6106
7243336	CIF	C12 H14 N2 O6 S2	P 1 21/c 1	30.1122; 11.7047; 8.0292 90; 96.307; 90	2812.8	Bouguerra, Manel; Mahroug, Adel; Wróbel, Agata; Trzybiński, Damian; Woźniak, Krzysztof; Belhouchet, Mohamed Physico-chemical study of new supramolecular-architectured hybrid organic–inorganic sulfates incorporating diammoniumdiphenylsulfone cations RSC Advances, 2021, 11, 26368-26378
7243337	CIF	C12 H14 N2 O6 S2	P 1 21 1	10.6218; 9.6697; 14.1442 90; 106.322; 90	1394.2	Bouguerra, Manel; Mahroug, Adel; Wróbel, Agata; Trzybiński, Damian; Woźniak, Krzysztof; Belhouchet, Mohamed Physico-chemical study of new supramolecular-architectured hybrid organic–inorganic sulfates incorporating diammoniumdiphenylsulfone cations RSC Advances, 2021, 11, 26368-26378
7243338	CIF	C14 H18 Co N2 O9	P 1 21/c 1	18.8828; 11.3176; 8.0387 90; 94.0405; 90	1713.66	Hsieh, Yi-Ting; Huang, Ssu-Chia; Lu, Shih-I.; Wang, Hsiao-Hsun; Chang, Tsai-Wen; Wang, Chih-Chieh; Lee, Gene-Hsiang; Chuang, Yu-Chun Electrochemical characterization of and theoretical insight into a series of 2D MOFs, [M(bipy)(C4O4)(H2O)2]·3H2O (M = Mn (1), Fe (2), Co (3) and Zn (4)), for chemical sensing applications RSC Advances, 2021, 11, 26516-26522
7243339	CIF	C25.5 H17 B Cl N2 O2	P 1 21/n 1	11.3434; 14.0488; 13.7721 90; 107.982; 90	2087.53	Hoshi, Keita; Itaya, Masami; Tahara, Koki; Matsumoto, Airi; Tabata, Atsuhi; Nagamune, Hideaki; Yoshida, Yasushi; Hase, Eiji; Minamikawa, Takeo; Yasui, Takeshi; Katayama, Tetsuro; Furube, Akihiro; Minagawa, Keiji; Imada, Yasushi; Yagishita, Fumitoshi Two-photon excitable boron complex based on tridentate imidazo[1,5-a]pyridine ligand for heavy-atom-free mitochondria-targeted photodynamic therapy RSC Advances, 2021, 11, 26403-26407
7243340	CIF	C21 H22.5 Cd2 N2 O12.75	P -1	10.3439; 11.4569; 11.9709 76.621; 64.402; 85.987	1243.97	Wen, Gui-Lin; Wu, Wei-Ping; Wang, Feng-Wu; Liu, Dao-Fu; Wang, Xiao-Ling; Rong, Jie-Wei; Wang, Yao-Yu An excellent thermostable dual-functionalized 3D fsx-type Cd(ii) MOF for the highly selective detection of Fe3+ ions and ten nitroaromatic explosives CrystEngComm, 2021, 23, 6171-6179
7243341	CIF	B4 Cu Mn4 Ni7 O20	P b a m	9.19375; 12.33041; 3.016669 90; 90; 90	341.978	Moshkina, Evgeniya; Bovina, Asya; Molokeev, Maxim; Krylov, Alexander; Shabanov, Alexander; Chernyshov, Artem; Sofronova, Svetlana Study of flux crystal growth peculiarities, structure and Raman spectra of double (Mn,Ni)3BO5 and triple (Mn,Ni,Cu)3BO5 oxyborates with ludwigite structure CrystEngComm, 2021, 23, 5624-5635
7243342	CIF	B4 Cu Mn4 Ni7 O20	P b a m	9.1828; 12.2766; 3.0091 90; 90; 90	339.227	Moshkina, Evgeniya; Bovina, Asya; Molokeev, Maxim; Krylov, Alexander; Shabanov, Alexander; Chernyshov, Artem; Sofronova, Svetlana Study of flux crystal growth peculiarities, structure and Raman spectra of double (Mn,Ni)3BO5 and triple (Mn,Ni,Cu)3BO5 oxyborates with ludwigite structure CrystEngComm, 2021, 23, 5624-5635
7243343	CIF	B2 Cu Mn2 Ni3 O10	P b a m	9.1735; 12.2939; 3.0018 90; 90; 90	338.537	Moshkina, Evgeniya; Bovina, Asya; Molokeev, Maxim; Krylov, Alexander; Shabanov, Alexander; Chernyshov, Artem; Sofronova, Svetlana Study of flux crystal growth peculiarities, structure and Raman spectra of double (Mn,Ni)3BO5 and triple (Mn,Ni,Cu)3BO5 oxyborates with ludwigite structure CrystEngComm, 2021, 23, 5624-5635
7243344	CIF	C46 H47 Cl3 N4 O10	P 1 21/c 1	14.3406; 17.5842; 19.2583 90; 105.478; 90	4680.2	Sharma, Pragati R.; Pandey, Shubham; Malik, Apoorva; Choudhary, Ganpat; Soni, Vineet K.; Sharma, Rakesh K. Calix[4]amido crown functionalized visible sensors for cyanide and iodide anions RSC Advances, 2021, 11, 26644-26654
7243345	CIF	C15 H8 F2 O2	P 1 21/n 1	3.7462; 9.557; 29.904 90; 90.357; 90	1070.6	Gately, Thomas J.; Sontising, Watit; Easley, Connor J.; Islam, Imadul; Al-Kaysi, Rabih O.; Beran, Gregory J. O.; Bardeen, Christopher J. Effect of halogen substitution on energies and dynamics of reversible photomechanical crystals based on 9-anthracenecarboxylic acid CrystEngComm, 2021, 23, 5931-5943
7243346	CIF	C15 H8.07 Cl1.93 O2	C 1 2/c 1	18.665; 3.8338; 33.213 90; 95.3374; 90	2366.3	Gately, Thomas J.; Sontising, Watit; Easley, Connor J.; Islam, Imadul; Al-Kaysi, Rabih O.; Beran, Gregory J. O.; Bardeen, Christopher J. Effect of halogen substitution on energies and dynamics of reversible photomechanical crystals based on 9-anthracenecarboxylic acid CrystEngComm, 2021, 23, 5931-5943
7243347	CIF	H32.2 Mo0.95 N3.05 Na2 O38 V9.05	P -1	8.6373; 10.47; 11.2282 69.078; 87.216; 66.729	866.21	Yao, Zhi-Yuan; Zhang, Guo-Qin; Li, Zi-Han; Shen, Lin-Jiang; Ren, Xiao-Ming Structure-directing effect of aqueous alkali metal ion (Li+, Na+ and K+) clusters on the polyoxoanion configuration in vanadium–molybdenum polyoxometalate solid solutions CrystEngComm, 2021, 23, 6533-6540
7243348	CIF	H35.48 Li2 Mo0.13 N3.87 O38 V9.87	P -1	8.5037; 10.2366; 11.0539 68.641; 87.059; 67.707	824.94	Yao, Zhi-Yuan; Zhang, Guo-Qin; Li, Zi-Han; Shen, Lin-Jiang; Ren, Xiao-Ming Structure-directing effect of aqueous alkali metal ion (Li+, Na+ and K+) clusters on the polyoxoanion configuration in vanadium–molybdenum polyoxometalate solid solutions CrystEngComm, 2021, 23, 6533-6540
7243349	CIF	C22 H27 O2 P	P -1	10.8049; 13.8758; 14.4304 62.546; 81.232; 88.055	1895.79	Lamola, Jairus L.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher Evaluation of P-bridged biaryl phosphine ligands in palladium-catalysed Suzuki–Miyaura cross-coupling reactions RSC Advances, 2021, 11, 26883-26891
7243350	CIF	C22 H25 O3 P	P -1	8.0873; 9.4963; 13.1468 92.553; 105.035; 95.537	968.01	Lamola, Jairus L.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher Evaluation of P-bridged biaryl phosphine ligands in palladium-catalysed Suzuki–Miyaura cross-coupling reactions RSC Advances, 2021, 11, 26883-26891
7243351	CIF	C20 H23 P	P 1 2/n 1	14.554; 7.222; 31.176 90; 97.878; 90	3246	Lamola, Jairus L.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher Evaluation of P-bridged biaryl phosphine ligands in palladium-catalysed Suzuki–Miyaura cross-coupling reactions RSC Advances, 2021, 11, 26883-26891
7243352	CIF	C24 H30 N O3 P	C 1 2/c 1	23.219; 8.4649; 24.795 90; 110.975; 90	4550.4	Lamola, Jairus L.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher Evaluation of P-bridged biaryl phosphine ligands in palladium-catalysed Suzuki–Miyaura cross-coupling reactions RSC Advances, 2021, 11, 26883-26891
7243353	CIF	C31 H28 Cl N5 O	P -1	8.695; 11.849; 13.515 71.182; 88.994; 80.25	1298	Dhir, Abhimanew; Rajkumar, Madhu; Desiraju, Gautam R. Cocrystal hydrate of Bandrowski's base and clotrimazole: a prospective ingredient for hair dye formulations CrystEngComm, 2021, 23, 5421-5424
7243354	CIF	C78 H38 N20	P -1	7.7083; 17.6112; 23.3347 96.381; 96.351; 94.418	3115.98	Ando, Rempei; Jin, Mingoo; Ito, Hajime Charge-transfer crystal with segregated packing structure constructed with hexaarylbenzene and tetracyanoquinodimethane CrystEngComm, 2021, 23, 5564-5568
7243355	CIF	C39 H19 N10	P -1	7.7403; 17.6776; 23.7797 96.408; 96.97; 94.633	3194.85	Ando, Rempei; Jin, Mingoo; Ito, Hajime Charge-transfer crystal with segregated packing structure constructed with hexaarylbenzene and tetracyanoquinodimethane CrystEngComm, 2021, 23, 5564-5568
7243356	CIF	Hg K2 Se4 Sn	I 4/m c m	8.0531; 8.0531; 6.9501 90; 90; 90	450.73	Teri, Gele; Li, Na; Bai, Sagala; E., Namila; Baiyin, Menghe Synthesis, crystal structure, photocatalysis, photocurrent response: one-dimensional K2HgSnSe4 and three-dimensional Na6Cu8Sn3Se13 CrystEngComm, 2021, 23, 6079-6085
7243357	CIF	Cu8 Na6 Se13 Sn3	F m -3 c	18.4754; 18.4754; 18.4754 90; 90; 90	6306.4	Teri, Gele; Li, Na; Bai, Sagala; E., Namila; Baiyin, Menghe Synthesis, crystal structure, photocatalysis, photocurrent response: one-dimensional K2HgSnSe4 and three-dimensional Na6Cu8Sn3Se13 CrystEngComm, 2021, 23, 6079-6085
7243358	CIF	C13 H14 N2 O3 S	P b c a	11.774; 12.4266; 17.269 90; 90; 90	2526.6	Kowalik, Mateusz; Brzeski, Jakub; Gawrońska, Małgorzata; Kazimierczuk, Katarzyna; Makowski, Mariusz Experimental and theoretical investigation of conformational states and noncovalent interactions in crystalline sulfonamides with a methoxyphenyl moiety CrystEngComm, 2021
7243359	CIF	C15 H16 N2 O4 S	P b c a	12.7104; 10.0355; 23.7593 90; 90; 90	3030.6	Kowalik, Mateusz; Brzeski, Jakub; Gawrońska, Małgorzata; Kazimierczuk, Katarzyna; Makowski, Mariusz Experimental and theoretical investigation of conformational states and noncovalent interactions in crystalline sulfonamides with a methoxyphenyl moiety CrystEngComm, 2021
7243360	CIF	C13 H14 N2 O3 S	P b c a	6.0734; 15.4472; 27.066 90; 90; 90	2539.3	Kowalik, Mateusz; Brzeski, Jakub; Gawrońska, Małgorzata; Kazimierczuk, Katarzyna; Makowski, Mariusz Experimental and theoretical investigation of conformational states and noncovalent interactions in crystalline sulfonamides with a methoxyphenyl moiety CrystEngComm, 2021
7243361	CIF	C15 H16 N2 O4 S	P b c a	15.6551; 11.7852; 16.3034 90; 90; 90	3008	Kowalik, Mateusz; Brzeski, Jakub; Gawrońska, Małgorzata; Kazimierczuk, Katarzyna; Makowski, Mariusz Experimental and theoretical investigation of conformational states and noncovalent interactions in crystalline sulfonamides with a methoxyphenyl moiety CrystEngComm, 2021
7243362	CIF	C2 H6 B12 K Li Na8 O30	R -3 :H	9.606; 9.606; 23.5219 90; 90; 120	1879.7	Qiu, Qi-Ming; Yang, Guo-Yu Three mixed-alkaline-metal borates with {Li@B12Ox(OH)24−x} (x = 18, 22) clusters: from isolated oxoboron cluster to unusual layer CrystEngComm, 2021, 23, 6518-6525
7243363	CIF	B12 Cs5 H8 Li O25	P 1 c 1	9.3037; 10.863; 13.007 90; 96.316; 90	1306.6	Qiu, Qi-Ming; Yang, Guo-Yu Three mixed-alkaline-metal borates with {Li@B12Ox(OH)24−x} (x = 18, 22) clusters: from isolated oxoboron cluster to unusual layer CrystEngComm, 2021, 23, 6518-6525
7243364	CIF	B24 Cs10 H16 Li2 O50	P 1 21/c 1	18.5529; 10.8877; 13.0326 90; 96.274; 90	2616.8	Qiu, Qi-Ming; Yang, Guo-Yu Three mixed-alkaline-metal borates with {Li@B12Ox(OH)24−x} (x = 18, 22) clusters: from isolated oxoboron cluster to unusual layer CrystEngComm, 2021, 23, 6518-6525
7243365	CIF	C30 H28 N4 O6 Zn2	I 1 2/a 1	23.5031; 14.9393; 33.0899 90; 106.97; 90	11112.6	Dasgupta, Souradip; Banerjee, Shrobona; Das, Sharmistha; Datta, Anindya From fluorogen to fluorophore by elucidation and suppression of ultrafast excited state processes of a Schiff base Physical Chemistry Chemical Physics, 2021
7243366	CIF	C27 H28 Cl N3.5 O8.5 Zn	C 1 2/c 1	27.9433; 13.2179; 31.7637 90; 107.063; 90	11215.6	Dasgupta, Souradip; Banerjee, Shrobona; Das, Sharmistha; Datta, Anindya From fluorogen to fluorophore by elucidation and suppression of ultrafast excited state processes of a Schiff base Physical Chemistry Chemical Physics, 2021
7243367	CIF	C43 H53 N5 Ni2 O10 S	P -1	12.2879; 13.4691; 15.8572 67.268; 89.258; 63.953	2135.5	Roy, Sourav; Sutradhar, Dipankar; Drew, Michael G. B.; Chattopadhyay, Shouvik Theoretical insights on the encapsulated hydronium ion mediated supramolecular assembly of nickel(ii) Schiff base complexes: strong hydrogen bonding interaction due to charge transfer from the lone pair of oxygen to the antibonding orbital of the O–H bond CrystEngComm, 2021, 23, 6724-6735
7243368	CIF	C21 H15 Eu N6 O8	P -1	9.9901; 10.1477; 11.9438 64.998; 76.806; 82.831	1067.84	Deng, Liming; Zhao, Huihui; Liu, Kang; Ma, Dingxuan Efficient luminescence sensing in two lanthanide metal–organic frameworks with rich uncoordinated Lewis basic sites CrystEngComm, 2021, 23, 6591-6598
7243369	CIF	C15 H10 N4 O7 Tb	P -1	8.2132; 9.955; 11.4034 101.681; 102.242; 107.25	834.27	Deng, Liming; Zhao, Huihui; Liu, Kang; Ma, Dingxuan Efficient luminescence sensing in two lanthanide metal–organic frameworks with rich uncoordinated Lewis basic sites CrystEngComm, 2021, 23, 6591-6598
7243370	CIF	C9 H10 B F2 N O3	P 1 21/c 1	6.5253; 11.9; 13.029 90; 100.248; 90	995.6	Wang, Huayi; Schrage, Briana; Takematsu, Kana; Ziegler, Christopher Photophysical properties of a boron analogue of coumarin Physical Chemistry Chemical Physics, 2021
7243371	CIF	C12 H8 Br Cl N2 O	P 1 21/c 1	4.4398; 19.0129; 13.8958 90; 92.18; 90	1172.14	Feiler, Torvid; Bhattacharya, Biswajit; Michalchuk, Adam A. L.; Rhim, Seon-Young; Schröder, Vincent; List-Kratochvil, Emil; Emmerling, Franziska Tuning the mechanical flexibility of organic molecular crystals by polymorphism for flexible optical waveguides CrystEngComm, 2021, 23, 5815-5825
7243372	CIF	C12 H8 Br Cl N2 O	P c a 21	25.1344; 3.8736; 11.9831 90; 90; 90	1166.68	Feiler, Torvid; Bhattacharya, Biswajit; Michalchuk, Adam A. L.; Rhim, Seon-Young; Schröder, Vincent; List-Kratochvil, Emil; Emmerling, Franziska Tuning the mechanical flexibility of organic molecular crystals by polymorphism for flexible optical waveguides CrystEngComm, 2021, 23, 5815-5825
7243373	CIF	C10 H12 N4 O7	P b c a	19.1729; 5.8157; 22.9536 90; 90; 90	2559.41	Saunders, Lucy K.; Pallipurath, Anuradha R.; Gutmann, Matthias J.; Nowell, Harriott; Zhang, Ningjin; Allan, David R. A quantum crystallographic approach to short hydrogen bonds. CrystEngComm, 2021, 23, 6180-6190
7243374	CIF	C10 H12 N4 O7	P b c a	19.157; 5.791; 22.956 90; 90; 90	2546.7	Saunders, Lucy K.; Pallipurath, Anuradha R.; Gutmann, Matthias J.; Nowell, Harriott; Zhang, Ningjin; Allan, David R. A quantum crystallographic approach to short hydrogen bonds. CrystEngComm, 2021, 23, 6180-6190
7243375	CIF	C4 H9 N2 O3	P 1 21/n 1	3.8179; 13.2171; 12.408 90; 94.614; 90	624.1	Saunders, Lucy K.; Pallipurath, Anuradha R.; Gutmann, Matthias J.; Nowell, Harriott; Zhang, Ningjin; Allan, David R. A quantum crystallographic approach to short hydrogen bonds. CrystEngComm, 2021, 23, 6180-6190
7243376	CIF	C4 H9 N2 O3	P 1 21/n 1	3.8179; 13.2171; 12.408 90; 94.614; 90	624.1	Saunders, Lucy K.; Pallipurath, Anuradha R.; Gutmann, Matthias J.; Nowell, Harriott; Zhang, Ningjin; Allan, David R. A quantum crystallographic approach to short hydrogen bonds. CrystEngComm, 2021, 23, 6180-6190
7243377	CIF	C10 H12 N4 O7	C 1 2/c 1	28.3783; 6.0988; 29.7998 90; 92.511; 90	5152.6	Saunders, Lucy K.; Pallipurath, Anuradha R.; Gutmann, Matthias J.; Nowell, Harriott; Zhang, Ningjin; Allan, David R. A quantum crystallographic approach to short hydrogen bonds. CrystEngComm, 2021, 23, 6180-6190
7243378	CIF	C20 H24 N8 O14	C 1 2/c 1	28.3783; 6.0988; 29.7998 90; 92.511; 90	5152.6	Saunders, Lucy K.; Pallipurath, Anuradha R.; Gutmann, Matthias J.; Nowell, Harriott; Zhang, Ningjin; Allan, David R. A quantum crystallographic approach to short hydrogen bonds. CrystEngComm, 2021, 23, 6180-6190
7243379	CIF	C5 H6 N2 Ni O6	P -1	6.8169; 7.3756; 8.5055 105.538; 90.512; 111.867	379.54	Ahmad, M. Shahwaz; Khalid, Mohd; Khan, M. Shahnawaz; Shahid, M.; Ahmad, Musheer Ni(ii)-Based one dimensional coordination polymers for environmental remediation: design, topology, magnetism and the selective adsorption of cationic dyes CrystEngComm, 2021, 23, 6253-6266
7243380	CIF	C10 H8 N4 Ni O5	P 21 21 21	7.7733; 9.819; 14.7763 90; 90; 90	1127.82	Ahmad, M. Shahwaz; Khalid, Mohd; Khan, M. Shahnawaz; Shahid, M.; Ahmad, Musheer Ni(ii)-Based one dimensional coordination polymers for environmental remediation: design, topology, magnetism and the selective adsorption of cationic dyes CrystEngComm, 2021, 23, 6253-6266
7243381	CIF	C28 H42 N4 O4 Pt	P n a 21	20.7074; 4.9052; 28.1381 90; 90; 90	2858.1	Richardson, Jonathan G.; Broadhurst, Edward T.; Benjamin, Helen; Morrison, Carole A.; Moggach, Stephen A.; Robertson, Neil Evaluating the crystalline orbital hierarchy and high-pressure structure–property response of an extended-ligand platinum(ii) bis(1,2-dioximato) complex CrystEngComm, 2021, 23, 6359-6364
7243382	CIF	C28 H43 N4 O4 Pt	P n a 21	20.3217; 4.7007; 27.4573 90; 90; 90	2622.89	Richardson, Jonathan G.; Broadhurst, Edward T.; Benjamin, Helen; Morrison, Carole A.; Moggach, Stephen A.; Robertson, Neil Evaluating the crystalline orbital hierarchy and high-pressure structure–property response of an extended-ligand platinum(ii) bis(1,2-dioximato) complex CrystEngComm, 2021, 23, 6359-6364
7243383	CIF	C28 H42 N4 O4 Pt	P n a 21	20.088; 4.6778; 27.3616 90; 90; 90	2571.1	Richardson, Jonathan G.; Broadhurst, Edward T.; Benjamin, Helen; Morrison, Carole A.; Moggach, Stephen A.; Robertson, Neil Evaluating the crystalline orbital hierarchy and high-pressure structure–property response of an extended-ligand platinum(ii) bis(1,2-dioximato) complex CrystEngComm, 2021, 23, 6359-6364
7243384	CIF	C28 H42 N4 O4 Pt	P n a 21	20.602; 4.8431; 27.9031 90; 90; 90	2784.1	Richardson, Jonathan G.; Broadhurst, Edward T.; Benjamin, Helen; Morrison, Carole A.; Moggach, Stephen A.; Robertson, Neil Evaluating the crystalline orbital hierarchy and high-pressure structure–property response of an extended-ligand platinum(ii) bis(1,2-dioximato) complex CrystEngComm, 2021, 23, 6359-6364
7243385	CIF	C84 H58 Cd2 N14 O10	P 1 21/n 1	18.0232; 18.0621; 24.6633 90; 90.917; 90	8027.8	Ni, Jian-Ling; Liang, Yu; Shao, Juan-Juan; Li, Jun-Feng; Li, Guang-Jun; Chen, Li-Zhuang; Wang, Fang-Ming TIPA-ligand-based luminescent Cd(ii) organic frameworks as an outstanding sensor for detecting Fe3+ in an aqueous medium CrystEngComm, 2021, 23, 5516-5521
7243386	CIF	C82 H58 Cd2 N14 O10	P 1 21/n 1	18.151; 18.053; 24.485 90; 90.522; 90	8023	Ni, Jian-Ling; Liang, Yu; Shao, Juan-Juan; Li, Jun-Feng; Li, Guang-Jun; Chen, Li-Zhuang; Wang, Fang-Ming TIPA-ligand-based luminescent Cd(ii) organic frameworks as an outstanding sensor for detecting Fe3+ in an aqueous medium CrystEngComm, 2021, 23, 5516-5521
7243387	CIF	C27 H25 N3 O6 Zn	P 1 21/n 1	14.0509; 10.1555; 17.9303 90; 103.03; 90	2492.7	Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina Steric crowding of a series of pyridine based ligands influencing the photophysical properties of Zn(II) complexes CrystEngComm, 2021, 23, 6199-6213
7243388	CIF	C46 H44 N4 O7 Zn	C 1 2/c 1	31.098; 5.719; 23.853 90; 106.322; 90	4071.3	Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina Steric crowding of a series of pyridine based ligands influencing the photophysical properties of Zn(II) complexes CrystEngComm, 2021, 23, 6199-6213
7243389	CIF	C43 H45 N7 O8 Zn	C 1 2/c 1	33.183; 8.9246; 15.409 90; 115.059; 90	4133.8	Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina Steric crowding of a series of pyridine based ligands influencing the photophysical properties of Zn(II) complexes CrystEngComm, 2021, 23, 6199-6213
7243390	CIF	C40 H52 N4 O10 Zn	P 1 21/c 1	16.763; 15.8859; 16.337 90; 108.155; 90	4133.9	Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina Steric crowding of a series of pyridine based ligands influencing the photophysical properties of Zn(II) complexes CrystEngComm, 2021, 23, 6199-6213
7243391	CIF	C48 H53 N5 O10 Zn	P -1	11.8153; 12.2801; 17.4928 108.449; 96.437; 102.812	2301.7	Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina Steric crowding of a series of pyridine based ligands influencing the photophysical properties of Zn(II) complexes CrystEngComm, 2021, 23, 6199-6213
7243392	CIF	C74 H74 N8 O15 Zn2	P c a 21	16.8072; 16.4259; 24.7605 90; 90; 90	6835.7	Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina Steric crowding of a series of pyridine based ligands influencing the photophysical properties of Zn(II) complexes CrystEngComm, 2021, 23, 6199-6213
7243393	CIF	B12 Cu5.994 Ni0.006 O24	I -4 2 d	11.4978; 11.4978; 5.62608 90; 90; 90	743.764	Moshkina, Evgeniya; Molokeev, Maxim; Belskaya, Nadejda; Nemtsev, Ivan; Molchanova, Anastasiia; Boldyrev, Kirill Metastable growth and infrared spectra of CuB2O4:Ni single crystals CrystEngComm, 2021, 23, 6761-6768
7243394	CIF	B24 Cu11.88 Ni0.12 O48	I -4 2 d	11.49731; 11.49731; 5.62593 90; 90; 90	743.681	Moshkina, Evgeniya; Molokeev, Maxim; Belskaya, Nadejda; Nemtsev, Ivan; Molchanova, Anastasiia; Boldyrev, Kirill Metastable growth and infrared spectra of CuB2O4:Ni single crystals CrystEngComm, 2021, 23, 6761-6768
7243395	CIF	C43 H80 Cr K2 N6 O17	P 1	10.9523; 11.63; 12.6749 63.886; 66.66; 86.853	1316.98	Pei, Gerui; Shu, Cong-Cong; Li, Mengyang; Sun, Zhong-Ming; Yang, Tao Electronic structures and properties of dianionic pentacarbonyls [TM(CO)5]2− (TM = Cr, Mo, W) Physical Chemistry Chemical Physics, 2021
7243396	CIF	C41 H72 K2 Mo N4 O17	P 1	10.884; 11.6242; 12.7269 64.679; 68.734; 88.596	1339.97	Pei, Gerui; Shu, Cong-Cong; Li, Mengyang; Sun, Zhong-Ming; Yang, Tao Electronic structures and properties of dianionic pentacarbonyls [TM(CO)5]2− (TM = Cr, Mo, W) Physical Chemistry Chemical Physics, 2021
7243397	CIF	C22 H18 N2	C 1 c 1	10.7445; 19.4078; 8.7809 90; 112.949; 90	1686.13	Asressu, Kesatebrhan Haile; Chan, Chieh-Kai; Wang, Cheng-Chung TMSOTf-catalyzed synthesis of trisubstituted imidazoles using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions RSC Advances, 2021, 11, 28061-28071
7243398	CIF	C19 H20 N2	P b c a	16.5878; 9.2549; 20.0075 90; 90; 90	3071.52	Asressu, Kesatebrhan Haile; Chan, Chieh-Kai; Wang, Cheng-Chung TMSOTf-catalyzed synthesis of trisubstituted imidazoles using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions RSC Advances, 2021, 11, 28061-28071
7243399	CIF	C17 H12 N2 S2	P 1 21/c 1	11.1404; 14.6012; 9.2447 90; 104.497; 90	1455.89	Asressu, Kesatebrhan Haile; Chan, Chieh-Kai; Wang, Cheng-Chung TMSOTf-catalyzed synthesis of trisubstituted imidazoles using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions RSC Advances, 2021, 11, 28061-28071
7243400	CIF	C23 H19 Br N2 O2	P 1 21/c 1	9.2089; 19.8306; 10.4519 90; 101.492; 90	1870.44	Asressu, Kesatebrhan Haile; Chan, Chieh-Kai; Wang, Cheng-Chung TMSOTf-catalyzed synthesis of trisubstituted imidazoles using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions RSC Advances, 2021, 11, 28061-28071
7243401	CIF	C19 H14 N2 O	P n a 21	8.9585; 11.3947; 28.7859 90; 90; 90	2938.4	Asressu, Kesatebrhan Haile; Chan, Chieh-Kai; Wang, Cheng-Chung TMSOTf-catalyzed synthesis of trisubstituted imidazoles using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions RSC Advances, 2021, 11, 28061-28071
7243402	CIF	C23.5 H20.5 Cl1.5 N2 O2	P 1 21/c 1	10.237; 18.3683; 22.354 90; 95.807; 90	4181.8	Asressu, Kesatebrhan Haile; Chan, Chieh-Kai; Wang, Cheng-Chung TMSOTf-catalyzed synthesis of trisubstituted imidazoles using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions RSC Advances, 2021, 11, 28061-28071
7243403	CIF	C16 H8 N4 O2	P -1	6.312; 7.4057; 8.1661 108.309; 109.791; 92.81	335.79	Sanda Bawa, Ali; Meunier-Prest, Rita; Rousselin, Yoann; Couvercelle, Jean-Pierre; Christine, Stern; Malézieux, Bernard; Bouvet, Marcel Series of charge transfer complexes obtained as crystals in a confined environment CrystEngComm, 2021
7243404	CIF	C24 H18 N4 O6	P -1	7.0977; 7.7054; 10.1834 79.516; 85.59; 70.03	514.64	Sanda Bawa, Ali; Meunier-Prest, Rita; Rousselin, Yoann; Couvercelle, Jean-Pierre; Christine, Stern; Malézieux, Bernard; Bouvet, Marcel Series of charge transfer complexes obtained as crystals in a confined environment CrystEngComm, 2021
7243405	CIF	C26 H22 N4 O8	C 1 2/c 1	18.781; 7.6668; 17.9141 90; 112.728; 90	2379.2	Sanda Bawa, Ali; Meunier-Prest, Rita; Rousselin, Yoann; Couvercelle, Jean-Pierre; Christine, Stern; Malézieux, Bernard; Bouvet, Marcel Series of charge transfer complexes obtained as crystals in a confined environment CrystEngComm, 2021
7243406	CIF	C23 H14 N2 O6 S Zn	P 1 21/n 1	10.146; 13.915; 14.641 90; 96.29; 90	2054.6	Li, Zhao-Hao; Xue, Li-Ping; Liu, Si-Rui; Wang, Si-Jin Construction of a viologen-derived 2D material with photochromism, photoswitchable luminescence and inkless and erasable prints via sunlight irradiation CrystEngComm, 2021, 23, 6315-6321
7243407	CIF	C19 H14 N2 O6	P 21 21 21	8.125; 13.7648; 15.2241 90; 90; 90	1702.6	Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies CrystEngComm, 2021, 23, 6322-6339
7243408	CIF	C19 H18 N2 O2	P 1 21/c 1	11.0804; 18.793; 7.5692 90; 98.945; 90	1557	Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies CrystEngComm, 2021, 23, 6322-6339
7243409	CIF	C84 H58 Cu2 N4 O10.5	P -1	12.9151; 14.7249; 17.8978 76.037; 76.919; 82.899	3208.8	Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies CrystEngComm, 2021, 23, 6322-6339
7243410	CIF	C41 H28 N2 O5 Zn	P 1 21/n 1	11.41009; 16.18167; 16.91043 90; 92.4308; 90	3119.44	Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies CrystEngComm, 2021, 23, 6322-6339
7243411	CIF	C41 H30 N2 O4	P -1	7.639; 14.165; 14.697 95.51; 104.51; 96.46	1517	Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies CrystEngComm, 2021, 23, 6322-6339
7243412	CIF	C41 H28 N2 O4 Zn	P 1 21/n 1	11.3049; 17.2598; 15.7727 90; 92.748; 90	3074	Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies CrystEngComm, 2021, 23, 6322-6339
7243413	CIF	C40 H28 N2 O4	C 1 2/c 1	14.023; 15.366; 14.628 90; 109.68; 90	2967.9	Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies CrystEngComm, 2021, 23, 6322-6339
7243414	CIF	C14 H17 N5 O2 S	P 1 21/c 1	16.2034; 9.9224; 10.1872 90; 102.899; 90	1596.53	Vinogradova, Ekaterina E.; Gazieva, Galina A.; Izmest'ev, Alexei N.; Karnoukhova, Valentina A.; Kravchenko, Angelina N. Dimroth-type N/S-interchange of N-aminothioglycolurils in the synthesis of 2-hydrazonoimidazo[4,5-d]thiazolones RSC Advances, 2021, 11, 28395-28400
7243415	CIF	C13 H15 N5 O S	P b c a	9.7481; 9.6628; 30.3545 90; 90; 90	2859.2	Vinogradova, Ekaterina E.; Gazieva, Galina A.; Izmest'ev, Alexei N.; Karnoukhova, Valentina A.; Kravchenko, Angelina N. Dimroth-type N/S-interchange of N-aminothioglycolurils in the synthesis of 2-hydrazonoimidazo[4,5-d]thiazolones RSC Advances, 2021, 11, 28395-28400
7243416	CIF	C80 H294 Cl10 N16 O179 Y14	I 41 2 2	30.983; 30.983; 31.523 90; 90; 90	30260	Lu, Tian-Qi; Yin, Jia-Jia; Chen, Cheng; Shi, Hai-Yan; Zheng, Jun; Liu, Zhengjie; Fang, Xiaolong; Zheng, Xiu-Ying Two pairs of chiral lanthanide–oxo clusters Ln14 induced by amino acid derivatives CrystEngComm, 2021, 23, 6923-6929
7243417	CIF	C80 H318 Cl10 Dy14 N16 O191	I 41 2 2	31.0292; 31.0292; 31.3898 90; 90; 90	30222.5	Lu, Tian-Qi; Yin, Jia-Jia; Chen, Cheng; Shi, Hai-Yan; Zheng, Jun; Liu, Zhengjie; Fang, Xiaolong; Zheng, Xiu-Ying Two pairs of chiral lanthanide–oxo clusters Ln14 induced by amino acid derivatives CrystEngComm, 2021, 23, 6923-6929
7243418	CIF	C80 H294 Cl10 N16 O179 Y14	I 41 2 2	31.008; 31.008; 30.85 90; 90; 90	29662	Lu, Tian-Qi; Yin, Jia-Jia; Chen, Cheng; Shi, Hai-Yan; Zheng, Jun; Liu, Zhengjie; Fang, Xiaolong; Zheng, Xiu-Ying Two pairs of chiral lanthanide–oxo clusters Ln14 induced by amino acid derivatives CrystEngComm, 2021, 23, 6923-6929
7243419	CIF	C80 H318 Cl10 Dy14 N16 O191	I 41 2 2	31.0353; 31.0353; 31.3981 90; 90; 90	30242.3	Lu, Tian-Qi; Yin, Jia-Jia; Chen, Cheng; Shi, Hai-Yan; Zheng, Jun; Liu, Zhengjie; Fang, Xiaolong; Zheng, Xiu-Ying Two pairs of chiral lanthanide–oxo clusters Ln14 induced by amino acid derivatives CrystEngComm, 2021, 23, 6923-6929
7243420	CIF	C25 H32 N2 O7	I 1 2 1	20.206; 6.6378; 20.461 90; 116.74; 90	2450.8	Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility CrystEngComm, 2021, 23, 6942-6951
7243421	CIF	C27 H32 N2 O6	P 21 21 21	6.943; 17.066; 20.466 90; 90; 90	2425	Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility CrystEngComm, 2021, 23, 6942-6951
7243422	CIF	C23 H29 N2 O7	C 1 2 1	19.945; 6.698; 18.303 90; 94.98; 90	2436	Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility CrystEngComm, 2021, 23, 6942-6951
7243423	CIF	C21 H25 N2 O7	C 1 2 1	21.387; 6.419; 18.467 90; 121.541; 90	2160.7	Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility CrystEngComm, 2021, 23, 6942-6951
7243424	CIF	C23 H28 N2 O6	P 21 21 21	6.6594; 11.845; 26.345 90; 90; 90	2078.11	Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility CrystEngComm, 2021, 23, 6942-6951
7243425	CIF	C27 H30 N2 O6	P 21 21 21	8.978; 9.713; 28.903 90; 90; 90	2520	Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility CrystEngComm, 2021, 23, 6942-6951
7243426	CIF	C48 H62 N4 O15	P 1	6.5187; 10.9299; 17.6311 99.531; 97.444; 106.711	1165.47	Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility CrystEngComm, 2021, 23, 6942-6951
7243427	CIF	C24 H28 F6 N2 O7	P 21 21 21	6.722; 19.671; 20.29 90; 90; 90	2682.9	Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility CrystEngComm, 2021, 23, 6942-6951
7243428	CIF	C28 H34 N2 O6	P 21 21 21	6.5291; 19.368; 20.431 90; 90; 90	2583.6	Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility CrystEngComm, 2021, 23, 6942-6951
7243429	CIF	C29 H33 N3 O7.5 S	P 21 21 21	15.5984; 15.7897; 23.5416 90; 90; 90	5798.2	Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility CrystEngComm, 2021, 23, 6942-6951
7243430	CIF	C38 H50 N2 O9	C 1 2 1	30.0476; 6.6972; 21.922 90; 127.752; 90	3488	Jiang, Qi; Hirsh, David A.; Tu, Yifan; Luo, Laibin Multicomponent crystals of an artemisinin derivative and cinchona alkaloids for use as antimalarial drugs CrystEngComm, 2021, 23, 6843-6847
7243431	CIF	C20 H29 Cl N2 O4	P 1	6.7848; 10.6171; 15.4805 98.689; 97.586; 108.323	1027.12	Jiang, Qi; Hirsh, David A.; Tu, Yifan; Luo, Laibin Multicomponent crystals of an artemisinin derivative and cinchona alkaloids for use as antimalarial drugs CrystEngComm, 2021, 23, 6843-6847
7243432	CIF	C25 H23 N3 O3 Se	P -1	7.573; 11.91; 15.396 69.978; 81.094; 78.524	1272.9	Lima, Daisy J. B.; Almeida, Renata G.; Jardim, Guilherme A. M.; Barbosa, Breno P. A.; Santos, Augusto C. C.; Valença, Wagner O.; Scheide, Marcos R.; Gatto, Claudia C.; de Carvalho, Guilherme G. C.; Costa, Pedro M. S.; Pessoa, Claudia; Pereira, Cynthia L. M.; Jacob, Claus; Braga, Antonio L.; da Silva Júnior, Eufrânio N. It takes two to tango: synthesis of cytotoxic quinones containing two redox active centers with potential antitumor activity RSC Medicinal Chemistry, 2021
7243433	CIF	C25 H23 N3 O3 Se	P -1	9.364; 10.472; 12.433 72.327; 75.582; 80.655	1120.1	Lima, Daisy J. B.; Almeida, Renata G.; Jardim, Guilherme A. M.; Barbosa, Breno P. A.; Santos, Augusto C. C.; Valença, Wagner O.; Scheide, Marcos R.; Gatto, Claudia C.; de Carvalho, Guilherme G. C.; Costa, Pedro M. S.; Pessoa, Claudia; Pereira, Cynthia L. M.; Jacob, Claus; Braga, Antonio L.; da Silva Júnior, Eufrânio N. It takes two to tango: synthesis of cytotoxic quinones containing two redox active centers with potential antitumor activity RSC Medicinal Chemistry, 2021
7243434	CIF	C16 H15 N3 O3	P -1	7.89; 9.75; 9.847 96.739; 103.567; 91.493	730.2	Lima, Daisy J. B.; Almeida, Renata G.; Jardim, Guilherme A. M.; Barbosa, Breno P. A.; Santos, Augusto C. C.; Valença, Wagner O.; Scheide, Marcos R.; Gatto, Claudia C.; de Carvalho, Guilherme G. C.; Costa, Pedro M. S.; Pessoa, Claudia; Pereira, Cynthia L. M.; Jacob, Claus; Braga, Antonio L.; da Silva Júnior, Eufrânio N. It takes two to tango: synthesis of cytotoxic quinones containing two redox active centers with potential antitumor activity RSC Medicinal Chemistry, 2021
7243435	CIF	C72 H56 Co4 N12 O20	P 1 21/n 1	11.0719; 13.1489; 11.7587 90; 98.256; 90	1694.13	Wei, Yaoyi; Zhu, Bin; Wang, Jinmiao; Wang, Lulu; Wu, Ruixue; Liu, Wenbo; Ma, Bingxiang; Yang, Dong; Fan, Yuhua; Zhang, Xia A series of novel Co(ii)-based MOFs: syntheses, structural diversity, and various properties CrystEngComm, 2021, 23, 6376-6387
7243436	CIF	C22 H14 Co N3 O5	P -1	9.4348; 9.9705; 11.5494 68.346; 83.463; 76.625	981.9	Wei, Yaoyi; Zhu, Bin; Wang, Jinmiao; Wang, Lulu; Wu, Ruixue; Liu, Wenbo; Ma, Bingxiang; Yang, Dong; Fan, Yuhua; Zhang, Xia A series of novel Co(ii)-based MOFs: syntheses, structural diversity, and various properties CrystEngComm, 2021, 23, 6376-6387
7243437	CIF	C50 H34 Co3 N8 O17	P -1	10.0359; 14.6155; 19.1561 76.537; 89.864; 89.195	2732.3	Wei, Yaoyi; Zhu, Bin; Wang, Jinmiao; Wang, Lulu; Wu, Ruixue; Liu, Wenbo; Ma, Bingxiang; Yang, Dong; Fan, Yuhua; Zhang, Xia A series of novel Co(ii)-based MOFs: syntheses, structural diversity, and various properties CrystEngComm, 2021, 23, 6376-6387
7243438	CIF	C54 H42 Cd3 O24	P -1	7.908; 9.0612; 18.642 95.133; 100.853; 107.104	1238.88	Du, Lin; Lu, Lu; Shi, Chuncheng; Wang, Hong-Yan; Wang, Jun; Singh, Amita; Kumar, Abhinav New Cd(ii) coordination polymers bearing Y-shaped tricarboxylate ligands as photocatalysts for dye degradation CrystEngComm, 2021, 23, 6400-6408
7243439	CIF	C78 H52 Cd2 N4 O22	P -1	6.1936; 15.2015; 18.859 71.913; 89.28; 89.947	1687.7	Du, Lin; Lu, Lu; Shi, Chuncheng; Wang, Hong-Yan; Wang, Jun; Singh, Amita; Kumar, Abhinav New Cd(ii) coordination polymers bearing Y-shaped tricarboxylate ligands as photocatalysts for dye degradation CrystEngComm, 2021, 23, 6400-6408
7243440	CIF	C22 H14 Fe N2 S	P 1 21/c 1	7.4489; 7.4086; 32.085 90; 93.571; 90	1767.2	Boulhaoua, Mohammed; Pasinszki, Tibor; Torvisco, Ana; Oláh-Szabó, Rita; Bősze, Szilvia; Csámpai, Antal Synthesis, structure and in vitro antiproliferative effects of alkyne-linked 1,2,4-thiadiazole hybrids including erlotinib- and ferrocene-containing derivatives RSC Advances, 2021, 11, 28685-28697
7243441	CIF	C14 H9 Fe I N2 S	P 1 21/c 1	12.0436; 14.8358; 7.5107 90; 91.413; 90	1341.58	Boulhaoua, Mohammed; Pasinszki, Tibor; Torvisco, Ana; Oláh-Szabó, Rita; Bősze, Szilvia; Csámpai, Antal Synthesis, structure and in vitro antiproliferative effects of alkyne-linked 1,2,4-thiadiazole hybrids including erlotinib- and ferrocene-containing derivatives RSC Advances, 2021, 11, 28685-28697
7243442	CIF	C14 H9 Cl Fe N2 S	P -1	7.4925; 7.5319; 11.801 102.546; 103.317; 92.575	629.4	Boulhaoua, Mohammed; Pasinszki, Tibor; Torvisco, Ana; Oláh-Szabó, Rita; Bősze, Szilvia; Csámpai, Antal Synthesis, structure and in vitro antiproliferative effects of alkyne-linked 1,2,4-thiadiazole hybrids including erlotinib- and ferrocene-containing derivatives RSC Advances, 2021, 11, 28685-28697
7243443	CIF	C22 H14 Fe N2 S	P 1 21/c 1	11.395; 19.7263; 7.6124 90; 92.122; 90	1710	Boulhaoua, Mohammed; Pasinszki, Tibor; Torvisco, Ana; Oláh-Szabó, Rita; Bősze, Szilvia; Csámpai, Antal Synthesis, structure and in vitro antiproliferative effects of alkyne-linked 1,2,4-thiadiazole hybrids including erlotinib- and ferrocene-containing derivatives RSC Advances, 2021, 11, 28685-28697
7243444	CIF	C12 H9 Cl Fe N2 S	P 1 21/c 1	9.7781; 21.088; 11.3518 90; 99.46; 90	2308.9	Boulhaoua, Mohammed; Pasinszki, Tibor; Torvisco, Ana; Oláh-Szabó, Rita; Bősze, Szilvia; Csámpai, Antal Synthesis, structure and in vitro antiproliferative effects of alkyne-linked 1,2,4-thiadiazole hybrids including erlotinib- and ferrocene-containing derivatives RSC Advances, 2021, 11, 28685-28697
7243445	CIF	C26 H18 Fe2 N2 S	P 1 21/c 1	9.8936; 8.8451; 23.085 90; 99.728; 90	1991.1	Boulhaoua, Mohammed; Pasinszki, Tibor; Torvisco, Ana; Oláh-Szabó, Rita; Bősze, Szilvia; Csámpai, Antal Synthesis, structure and in vitro antiproliferative effects of alkyne-linked 1,2,4-thiadiazole hybrids including erlotinib- and ferrocene-containing derivatives RSC Advances, 2021, 11, 28685-28697
7243446	CIF	C14 H9 Br F12 O2	P 1 21/n 1	11.9324; 12.4694; 12.4948 90; 116.905; 90	1657.9	Chinen, Beatrice L.; Hyvl, Jakub; Brayton, Daniel F.; Riek, Matthew M.; Yoshida, Wesley Y.; Chapp, Timothy W.; Rheingold, Arnold L.; Cain, Matthew F. Trimerization and cyclization of reactive P-functionalities confined within OCO pincers RSC Advances, 2021, 11, 28602-28613
7243447	CIF	C20 H13 F12 O2 P	P 1 21 1	6.4519; 14.303; 11.4008 90; 92.203; 90	1051.31	Chinen, Beatrice L.; Hyvl, Jakub; Brayton, Daniel F.; Riek, Matthew M.; Yoshida, Wesley Y.; Chapp, Timothy W.; Rheingold, Arnold L.; Cain, Matthew F. Trimerization and cyclization of reactive P-functionalities confined within OCO pincers RSC Advances, 2021, 11, 28602-28613
7243448	CIF	C11 H7 Br F6 O3	C 1 c 1	13.9233; 14.4415; 12.9349 90; 100.826; 90	2554.6	Chinen, Beatrice L.; Hyvl, Jakub; Brayton, Daniel F.; Riek, Matthew M.; Yoshida, Wesley Y.; Chapp, Timothy W.; Rheingold, Arnold L.; Cain, Matthew F. Trimerization and cyclization of reactive P-functionalities confined within OCO pincers RSC Advances, 2021, 11, 28602-28613
7243449	CIF	C26 H29 Br O2	P -1	7.4093; 8.2707; 18.706 101.293; 100.471; 94.032	1098.7	Chinen, Beatrice L.; Hyvl, Jakub; Brayton, Daniel F.; Riek, Matthew M.; Yoshida, Wesley Y.; Chapp, Timothy W.; Rheingold, Arnold L.; Cain, Matthew F. Trimerization and cyclization of reactive P-functionalities confined within OCO pincers RSC Advances, 2021, 11, 28602-28613
7243450	CIF	C78 H87 O6 P3	P -1	10.515; 15.037; 22.719 100.8; 94.78; 103.351	3403	Chinen, Beatrice L.; Hyvl, Jakub; Brayton, Daniel F.; Riek, Matthew M.; Yoshida, Wesley Y.; Chapp, Timothy W.; Rheingold, Arnold L.; Cain, Matthew F. Trimerization and cyclization of reactive P-functionalities confined within OCO pincers RSC Advances, 2021, 11, 28602-28613
7243451	CIF	C17 H88 Ce2.5 N2.5 O91 P4 W16	C 1 2 1	25.85; 13.375; 27.037 90; 91.89; 90	9343	Wang, Wenyan; Izarova, Natalya V.; van Leusen, Jan; Kögerler, Paul A phosphonate–lanthanoid polyoxometalate coordination polymer: {Ce2P2W16O60L2}n zipper chains CrystEngComm, 2021, 23, 5989-5993
7243452	CIF	C24 H28 N4 O2 S2	P -1	7.177; 7.455; 11.03 105.64; 97.57; 90.8	562.6	Gayathri, Parthasarathy; Kanagajothi, Karuppaiah; Nag, Probal; Anand, Neethu; Reddy, Vennapusa Sivaranjana; Moon, Dohyun; Anthony, Savarimuthu Philip; Madhu, Vedichi Symmetrical and unsymmetrical thiazole based ESIPT derivatives: Highly selective fluorescence sensing of Cu2+ and structure controlled reversible mechanofluorochromism CrystEngComm, 2021
7243453	CIF	C24 H30 N4 O2 S	P 1 21 1	6.633; 8.53; 19.929 90; 94.24; 90	1124.5	Gayathri, Parthasarathy; Kanagajothi, Karuppaiah; Nag, Probal; Anand, Neethu; Reddy, Vennapusa Sivaranjana; Moon, Dohyun; Anthony, Savarimuthu Philip; Madhu, Vedichi Symmetrical and unsymmetrical thiazole based ESIPT derivatives: Highly selective fluorescence sensing of Cu2+ and structure controlled reversible mechanofluorochromism CrystEngComm, 2021
7243454	CIF	C32 H18 F12 N4 O10 S	P 1 21/n 1	8.1467; 21.3962; 20.1733 90; 90.509; 90	3516.24	Broumidis, Emmanouil; Jones, Callum M. S.; Koyioni, Maria; Kourtellaris, Andreas; Lloyd, Gareth O.; Marques-Hueso, Jose; Koutentis, Panayiotis A.; Vilela, Filipe 8,8′-(Benzo[c][1,2,5]thiadiazole-4,7-diyl)bis(quinolin-4(1H)-one): a twisted photosensitizer with AIE properties RSC Advances, 2021, 11, 29102-29107
7243455	CIF	C28 H24 N2 O5	P -1	8.748; 8.7951; 15.4152 96.274; 97.889; 98.627	1151.3	Sendh, Jagajiban; Singh, Munendra Pal; Baruah, Jubaraj B. 5-[(Pyren-9-ylmethyl)amino]isophthalic acid with nitrogen containing heterocycles: stacking, N–H⋯π interactions and photoluminescence CrystEngComm, 2021, 23, 6952-6966
7243456	CIF	C31 H26 N4 O4	P -1	7.9646; 12.144; 14.685 112.558; 90.032; 99.526	1290.4	Sendh, Jagajiban; Singh, Munendra Pal; Baruah, Jubaraj B. 5-[(Pyren-9-ylmethyl)amino]isophthalic acid with nitrogen containing heterocycles: stacking, N–H⋯π interactions and photoluminescence CrystEngComm, 2021, 23, 6952-6966
7243457	CIF	C31 H21 N2 O4	P -1	8.8551; 9.9074; 14.9941 103.891; 95.539; 112.603	1152.44	Sendh, Jagajiban; Singh, Munendra Pal; Baruah, Jubaraj B. 5-[(Pyren-9-ylmethyl)amino]isophthalic acid with nitrogen containing heterocycles: stacking, N–H⋯π interactions and photoluminescence CrystEngComm, 2021, 23, 6952-6966
7243458	CIF	C35 H25 N3 O4	P -1	9.065; 12.112; 13.231 110.005; 94.095; 105.378	1294.9	Sendh, Jagajiban; Singh, Munendra Pal; Baruah, Jubaraj B. 5-[(Pyren-9-ylmethyl)amino]isophthalic acid with nitrogen containing heterocycles: stacking, N–H⋯π interactions and photoluminescence CrystEngComm, 2021, 23, 6952-6966
7243459	CIF	C34 H26 N6 O4	P -1	7.6359; 13.6124; 14.8657 103.866; 103.123; 100.924	1411.53	Sendh, Jagajiban; Singh, Munendra Pal; Baruah, Jubaraj B. 5-[(Pyren-9-ylmethyl)amino]isophthalic acid with nitrogen containing heterocycles: stacking, N–H⋯π interactions and photoluminescence CrystEngComm, 2021, 23, 6952-6966
7243460	CIF	C33 H29 N5 O9	P -1	7.1375; 12.3754; 19.214 94.647; 98.852; 98.195	1650.6	Sendh, Jagajiban; Singh, Munendra Pal; Baruah, Jubaraj B. 5-[(Pyren-9-ylmethyl)amino]isophthalic acid with nitrogen containing heterocycles: stacking, N–H⋯π interactions and photoluminescence CrystEngComm, 2021, 23, 6952-6966
7243461	CIF	C46 H36 Br4 Cl2 S32 Zn	I 41/a :2	9.7458; 9.7458; 74.416 90; 90; 90	7068.1	Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N. Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature CrystEngComm, 2021, 23, 6620-6625
7243462	CIF	C46 H36 Br4 Cl2 S32 Zn	I -1	9.478; 9.9772; 74.311 91.03; 90.423; 90.136	7025.8	Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N. Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature CrystEngComm, 2021, 23, 6620-6625
7243463	CIF	C46 H36 Br4 Cl2 S32 Zn	I -1	9.31052; 9.9603; 74.2011 91.3016; 90.4551; 90.3631	6878.9	Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N. Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature CrystEngComm, 2021, 23, 6620-6625
7243464	CIF	C46 H36 Br4 Cl2 S32 Zn	I -1	9.38534; 9.99249; 74.2113 91.1767; 90.4551; 90.1829	6958	Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N. Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature CrystEngComm, 2021, 23, 6620-6625
7243465	CIF	C46 H36 Br4 Cl2 S32 Zn	I -1	9.28488; 9.9294; 74.1606 91.2956; 90.4755; 90.4013	6834.9	Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N. Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature CrystEngComm, 2021, 23, 6620-6625
7243466	CIF	C46 H36 Br4 Cl2 S32 Zn	I -1	9.3549; 9.9886; 74.2441 91.25; 90.478; 90.243	6935.6	Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N. Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature CrystEngComm, 2021, 23, 6620-6625
7243467	CIF	C4 Ca3 K2 O12	P 21 21 21	7.3905; 8.8156; 16.4817 90; 90; 90	1073.81	Rashchenko, Sergey V.; Shatskiy, Anton F.; Ignatov, Mark A.; Arefiev, Anton V.; Litasov, Konstantin D. High-pressure synthesis and crystal structure of non-centrosymmetric K2Ca3(CO3)4 CrystEngComm, 2021, 23, 6675-6681
7243468	CIF	C31 H23 Cl N2 O6	P -1	9.0827; 9.5303; 15.2656 81.275; 78.069; 85.015	1275.79	Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei Multicomponent crystals of clotrimazole: a combined theoretical and experimental study CrystEngComm, 2021, 23, 6977-6993
7243469	CIF	C29 H21 Cl N4 O7	P -1	9.1618; 10.0986; 14.4711 80.377; 78.44; 86.267	1292.58	Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei Multicomponent crystals of clotrimazole: a combined theoretical and experimental study CrystEngComm, 2021, 23, 6977-6993
7243470	CIF	C36 H31 Cl N2 O5	P -1	9.4734; 12.1901; 13.6109 78.39; 71.852; 89.207	1461.05	Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei Multicomponent crystals of clotrimazole: a combined theoretical and experimental study CrystEngComm, 2021, 23, 6977-6993
7243471	CIF	C29 H22 Cl N3 O4	P -1	8.7637; 9.2884; 15.7219 106.107; 103.639; 90.928	1190.29	Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei Multicomponent crystals of clotrimazole: a combined theoretical and experimental study CrystEngComm, 2021, 23, 6977-6993
7243472	CIF	C31 H24 Cl N3 O2	P -1	8.6793; 10.6795; 13.6524 95.603; 95.284; 97.549	1241.41	Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei Multicomponent crystals of clotrimazole: a combined theoretical and experimental study CrystEngComm, 2021, 23, 6977-6993
7243473	CIF	C33 H30 Cl N3 O5	P -1	9.0175; 9.9958; 16.7343 86.397; 75.472; 86.959	1456.18	Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei Multicomponent crystals of clotrimazole: a combined theoretical and experimental study CrystEngComm, 2021, 23, 6977-6993
7243474	CIF	C29 H23 Cl N2 O4	P n a 21	21.0772; 8.2738; 13.8978 90; 90; 90	2423.62	Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei Multicomponent crystals of clotrimazole: a combined theoretical and experimental study CrystEngComm, 2021, 23, 6977-6993
7243475	CIF	C32 H23 Cl N2 O8	P -1	11.7142; 15.503; 16.6489 69.389; 89.642; 89.69	2829.9	Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei Multicomponent crystals of clotrimazole: a combined theoretical and experimental study CrystEngComm, 2021, 23, 6977-6993
7243476	CIF	C31 H27 Cl N4 O7	P -1	8.8976; 12.8529; 13.9071 102.931; 98.041; 106.569	1449.97	Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei Multicomponent crystals of clotrimazole: a combined theoretical and experimental study CrystEngComm, 2021, 23, 6977-6993
7243477	CIF	C21 H12 Cd O7 P	P b c a	23.728; 13.165; 30.085 90; 90; 90	9398	Peng, Shuang; Qi, Yan-Jie; Li, Xin-Hao; Sun, Cai; Li, Ling-Yun; Li, Xin-Xiong; Zheng, Shou-Tian; Zhang, Qichun Two isomeric zeolite-like metal‒organic frameworks with mechanically responsive luminescence emission and gas adsorption properties CrystEngComm, 2021, 23, 5753-5757
7243478	CIF	C23 H20 Cd O7 P	P 1 21/c 1	15.135; 22.028; 18.37 90; 101.248; 90	6007	Peng, Shuang; Qi, Yan-Jie; Li, Xin-Hao; Sun, Cai; Li, Ling-Yun; Li, Xin-Xiong; Zheng, Shou-Tian; Zhang, Qichun Two isomeric zeolite-like metal‒organic frameworks with mechanically responsive luminescence emission and gas adsorption properties CrystEngComm, 2021, 23, 5753-5757
7243479	CIF	C30 H28 I6 N6 Pb	C 1 2/m 1	13.0069; 14.6783; 10.1587 90; 107.854; 90	1846.09	Yuan, Yaxuan; Xian, Yeming; Long, Yi; Zhang, Yangyi; Rahman, Naveed Ur; Zhang, Yongli; Fan, Jiandong; Li, Wenzhe Terpyridine-derived perovskite single crystals with tunable structures and electronic dimensionality RSC Advances, 2021, 11, 24816-24821
7243480	CIF	C30 H22 I6 N6 Pb3	P b c n	22.4598; 12.1864; 14.4057 90; 90; 90	3942.9	Yuan, Yaxuan; Xian, Yeming; Long, Yi; Zhang, Yangyi; Rahman, Naveed Ur; Zhang, Yongli; Fan, Jiandong; Li, Wenzhe Terpyridine-derived perovskite single crystals with tunable structures and electronic dimensionality RSC Advances, 2021, 11, 24816-24821
7243481	CIF	C60 H52 I18 N12 Pb5	P -1	12.8492; 12.89296; 15.7151 86.4469; 70.5166; 72.3962	2337.22	Yuan, Yaxuan; Xian, Yeming; Long, Yi; Zhang, Yangyi; Rahman, Naveed Ur; Zhang, Yongli; Fan, Jiandong; Li, Wenzhe Terpyridine-derived perovskite single crystals with tunable structures and electronic dimensionality RSC Advances, 2021, 11, 24816-24821
7243482	CIF	C22 H14 Cl N O4	P 1 21/c 1	20.415; 5.9806; 15.39 90; 105.234; 90	1813	Chen, Rongxiang; Liu, Bing; Li, Wenbo; Wang, Kai-Kai; Miao, Changqing; Li, Zhizhuang; Lv, Yingjie; Liu, Lantao Synthesis of N-alkoxyphthalimide derivatives via PIDA-promoted cross dehydrogenative coupling reaction RSC Advances, 2021, 11, 8051-8054
7243483	CIF	B3 Ca4 Ho O10	C 1 m 1	8.09; 16.018; 3.5317 90; 101.284; 90	448.8	Yu, Pingzhang; Pan, Xiaobo; Wu, Guangda; Liu, Yanqing; Yu, Fapeng; Wang, Zhengping; Xu, Xinguang Crystal growth, optical, thermal and piezoelectric properties of HoCa4O(BO3)3 crystal CrystEngComm, 2021, 23, 6574-6581
7243484	CIF	C100 H210 O93	C 1 2 1	19.133; 24.566; 15.782 90; 108.873; 90	7019	Vicatos, A. I.; Caira, M. R. Cyclodextrin complexes of the anticonvulsant agent valproic acid CrystEngComm, 2021, 23, 6582-6590
7243485	CIF	C129 H237.8 O77.88	P 1	10.396; 15.111; 25.494 83.247; 81.556; 89.475	3933.9	Vicatos, A. I.; Caira, M. R. Cyclodextrin complexes of the anticonvulsant agent valproic acid CrystEngComm, 2021, 23, 6582-6590
7243486	CIF	C62 H114.4 O33.2	P 21 21 21	15.337; 20.728; 23.104 90; 90; 90	7345	Vicatos, A. I.; Caira, M. R. Cyclodextrin complexes of the anticonvulsant agent valproic acid CrystEngComm, 2021, 23, 6582-6590
7243487	CIF	C176 H402 O177	P 4 21 2	23.745; 23.745; 23.1 90; 90; 90	13024	Vicatos, A. I.; Caira, M. R. Cyclodextrin complexes of the anticonvulsant agent valproic acid CrystEngComm, 2021, 23, 6582-6590
7243488	CIF	B7 Ba12 F4 Li O21	P 42/m b c	13.5174; 13.5174; 14.9399 90; 90; 90	2729.82	Bekker, T. B.; Yelisseyev, A. P.; Solntsev, V. P.; Davydov, A. V.; Inerbaev, T. M.; Rashchenko, S. V.; Kostyukov, A. I. The influence of co-doping on the luminescence and thermoluminescence properties of Cu-containing fluoride borate crystals CrystEngComm, 2021, 23, 6599-6609
7243489	CIF	C94 H83 N8 O18 Zn3	P -1	15.186; 15.21; 26.964 91.53; 102.04; 91.69	6085	Mazzeo, Paolo P.; Balestri, Davide; Bacchi, Alessia; Pelagatti, Paolo Stabilization of liquid active guests via nanoconfinement into a flexible microporous metal–organic framework CrystEngComm, 2021, 23, 7262-7269
7243490	CIF	C130.35 H132.3 N8.95 O22.3 Zn3	P -1	21.473; 21.553; 26.886 94.896; 102.406; 89.986	12106	Mazzeo, Paolo P.; Balestri, Davide; Bacchi, Alessia; Pelagatti, Paolo Stabilization of liquid active guests via nanoconfinement into a flexible microporous metal–organic framework CrystEngComm, 2021, 23, 7262-7269
7243491	CIF	C126.62 H125.75 N7.62 O20.25 Zn3	P -1	15.263; 30.497; 26.95 89.2; 82.16; 87.8	12418	Mazzeo, Paolo P.; Balestri, Davide; Bacchi, Alessia; Pelagatti, Paolo Stabilization of liquid active guests via nanoconfinement into a flexible microporous metal–organic framework CrystEngComm, 2021, 23, 7262-7269
7243492	CIF	C39 H15 N6	P -1	7.3212; 9.9861; 19.292 78.231; 89.49; 77.581	1347.6	Mandal, Arkalekha; Kim, Youngmee; Kim, Sung-Jin; Park, JaeHong Unravelling the fluorescence and semiconductor properties of a new coronene:TCNB charge transfer cocrystal polymorph CrystEngComm, 2021, 23, 7132-7140
7243493	CIF	C17 H29 N O3	P 1 21 1	9.706; 24.576; 14.6471 90; 109.129; 90	3300.9	Li, Wei; Zhao, Lin; Sun, Li-Tong; Xie, Ze-Ping; Zhang, Shu-Min; Yue, Xi-Dian; Dai, Sheng-Jun Trinorlabdane diterpenoid alkaloids featuring an unprecedented skeleton with anti-inflammatory and anti-viral activities from Forsythia suspensa RSC Advances, 2021, 11, 29684-29689
7243494	CIF	C13 H15 N O2	P 1 21/n 1	6.8238; 14.8389; 10.849 90; 96.975; 90	1090.41	Su, Ziqi; Chai, Hongxin; Xu, Juan; Li, Jiarong ZnCl2-promoted domino reaction of 2-hydroxybenzonitriles with ketones for synthesis of 1,3-benzoxazin-4-ones RSC Advances, 2021, 11, 29906-29911
7243495	CIF	C7 H10 Br N5 O2	P 1 21/c 1	15.2177; 6.7634; 11.0057 90; 109.445; 90	1068.13	Bąchor, Urszula; Drozd-Szczygieł, Ewa; Bąchor, Remigiusz; Jerzykiewicz, Lucjan; Wieczorek, Robert; Mączyński, Marcin New water-soluble isoxazole-linked 1,3,4-oxadiazole derivative with delocalized positive charge RSC Advances, 2021, 11, 29668-29674
7243496	CIF	C16 H11 N O2	C 1 c 1	52.556; 3.8744; 24.2104 90; 103.315; 90	4797.3	Ikeda, Kazuho; Yoo, Dongho; Nishikawa, Ryu; Kawamoto, Tadashi; Mori, Takehiko Charge injected proton transfer in indigo derivatives Physical Chemistry Chemical Physics, 2021
7243497	CIF	C6 H7 Co0.5 N3 O4	P -1	7.385; 7.98; 8.186 65.269; 89.12; 70.156	407.6	Ma, Zhi Long; Wang, Meng Chen; Tian, Li; Liu, Zhong Yi Solvent-controlled metal coordination polymers of Co(ii) with different topological structures and properties CrystEngComm, 2021, 23, 7253-7261
7243498	CIF	C24 H14 Co N12 O8	P -1	7.1998; 10.346; 12.6281 73.713; 84.815; 79.798	887.8	Ma, Zhi Long; Wang, Meng Chen; Tian, Li; Liu, Zhong Yi Solvent-controlled metal coordination polymers of Co(ii) with different topological structures and properties CrystEngComm, 2021, 23, 7253-7261
7243499	CIF	C36 H22 Co3 N18 O14	P -1	10.3709; 10.4034; 13.8572 71.806; 86.047; 88.735	1416.96	Ma, Zhi Long; Wang, Meng Chen; Tian, Li; Liu, Zhong Yi Solvent-controlled metal coordination polymers of Co(ii) with different topological structures and properties CrystEngComm, 2021, 23, 7253-7261
7243500	CIF	C21 H14 Cl I O	P -1	8.1585; 10.0268; 11.7398 82.2199; 69.7716; 70.2331	847.84	Al-Zoubi, Raed M.; Al-Jammal, Walid K.; Ferguson, Michael J.; Murphy, Graham K. Domino C‒C/C‒O bond formation: palladium-catalyzed regioselective synthesis of 7-iodobenzo[b]furans using 1,2,3-triiodobenzenes and benzylketones RSC Advances, 2021, 11, 30069-30077
7243501	CIF	C20 H12 Cl I O	P -1	9.244; 9.988; 10.515 86.607; 65.448; 70.67	829.8	Al-Zoubi, Raed M.; Al-Jammal, Walid K.; Ferguson, Michael J.; Murphy, Graham K. Domino C‒C/C‒O bond formation: palladium-catalyzed regioselective synthesis of 7-iodobenzo[b]furans using 1,2,3-triiodobenzenes and benzylketones RSC Advances, 2021, 11, 30069-30077
7243502	CIF	C9 H19 O11 Y	P 1 21 1	10.578; 5.739; 13.2053 90; 97.765; 90	794.31	Yapryntsev, A. D.; Baranchikov, A. E.; Churakov, A. V.; Kopitsa, G. P.; Silvestrova, A. A.; Golikova, M. V.; Ivanova, O. S.; Gorshkova, Yu. E.; Ivanov, V. K. The first amorphous and crystalline yttrium lactate: synthesis and structural features RSC Advances, 2021, 11, 30195-30205
7243503	CIF	C28 H21 N3 O2	C 1 c 1	10.5012; 21.4163; 10.7561 90; 116.366; 90	2167.4	Thadem, Nagender; Rajesh, Manda; Das, Saibal Activator free diastereoselective 1,3-dipolar cycloaddition: a quick access to coumarin based spiro multi heterocyclic adducts RSC Advances, 2021, 11, 29934-29938
7243504	CIF	C25 H25 N3 O3	P n a 21	10.5361; 20.5984; 9.9179 90; 90; 90	2152.45	Thadem, Nagender; Rajesh, Manda; Das, Saibal Activator free diastereoselective 1,3-dipolar cycloaddition: a quick access to coumarin based spiro multi heterocyclic adducts RSC Advances, 2021, 11, 29934-29938
7243505	CIF	C22 H20 N2 O3	P 1 21/c 1	14.0372; 9.4978; 14.4733 90; 113.232; 90	1773.15	Thadem, Nagender; Rajesh, Manda; Das, Saibal Activator free diastereoselective 1,3-dipolar cycloaddition: a quick access to coumarin based spiro multi heterocyclic adducts RSC Advances, 2021, 11, 29934-29938
7243506	CIF	C22 H28 N4.5 O4.5 Zn	A e a 2	26.205; 25.903; 14.652 90; 90; 90	9946	Basak, Tanmoy; Frontera, Antonio; Chattopadhyay, Shouvik Synthesis and characterization of a mononuclear zinc(ii) Schiff base complex: on the importance of C–H⋯π interactions RSC Advances, 2021, 11, 30148-30155
7243507	CIF	C27 H26 P4 Pd	P -1	8.4671; 10.5451; 14.4131 88.379; 80.098; 73.608	1215.92	Xia, Shu-Mei; Yang, Zhi-Wen; Yao, Xiang-Yang; Chen, Kai-Hong; Qiu, Li-Qi; He, Liang-Nian The synergistic copper/ppm Pd-catalyzed hydrocarboxylation of alkynes with formic acid as a CO surrogate as well as a hydrogen source: an alternative indirect utilization of CO2 Green Chemistry, 2021, 23, 8089-8095
7243508	CIF	C17 H10 F6 O2	P 1 21/c 1	5.5094; 15.212; 18.2863 90; 96.429; 90	1522.92	Xia, Shu-Mei; Yang, Zhi-Wen; Yao, Xiang-Yang; Chen, Kai-Hong; Qiu, Li-Qi; He, Liang-Nian The synergistic copper/ppm Pd-catalyzed hydrocarboxylation of alkynes with formic acid as a CO surrogate as well as a hydrogen source: an alternative indirect utilization of CO2 Green Chemistry, 2021, 23, 8089-8095
7243509	CIF	C28 H36 Li N4 O8	C 1 2/c 1	16.8468; 20.5523; 8.3102 90; 90.541; 90	2877.2	Yan, Bingjia; Horton, Peter N.; Weston, Simon C.; Russell, Andrea E.; Grossel, Martin C. Novel TCNQ-stacking motifs in (12-crown-4)-complexes of alkali metal TCNQ salts CrystEngComm, 2021, 23, 6755-6760
7243510	CIF	C40 H40 K N8 O8	P -1	8.0221; 13.6455; 18.3816 80.507; 85.505; 85.457	1973.99	Yan, Bingjia; Horton, Peter N.; Weston, Simon C.; Russell, Andrea E.; Grossel, Martin C. Novel TCNQ-stacking motifs in (12-crown-4)-complexes of alkali metal TCNQ salts CrystEngComm, 2021, 23, 6755-6760
7243511	CIF	C40 H40 N8 Na O8	P -1	8.1103; 13.6858; 17.7029 78.737; 86.244; 85.714	1919.11	Yan, Bingjia; Horton, Peter N.; Weston, Simon C.; Russell, Andrea E.; Grossel, Martin C. Novel TCNQ-stacking motifs in (12-crown-4)-complexes of alkali metal TCNQ salts CrystEngComm, 2021, 23, 6755-6760
7243512	CIF	C28 H36 N4 Na O8	C 1 2/c 1	17.191; 20.518; 8.3079 90; 90.131; 90	2930.4	Yan, Bingjia; Horton, Peter N.; Weston, Simon C.; Russell, Andrea E.; Grossel, Martin C. Novel TCNQ-stacking motifs in (12-crown-4)-complexes of alkali metal TCNQ salts CrystEngComm, 2021, 23, 6755-6760
7243513	CIF	C40 H40 Li N8 O8	P -1	8.2066; 13.7299; 17.8792 72.441; 83.006; 86.623	1905.87	Yan, Bingjia; Horton, Peter N.; Weston, Simon C.; Russell, Andrea E.; Grossel, Martin C. Novel TCNQ-stacking motifs in (12-crown-4)-complexes of alkali metal TCNQ salts CrystEngComm, 2021, 23, 6755-6760
7243514	CIF	Cs H2 Mn O10 V3	P b c m	6.869; 9.873; 15.041 90; 90; 90	1020	Zou, Yan-Min; Lan, Xiao-Yun; Ma, Wen; Jin, Jian-Ce; Sun, Hai-Yan; Li, Ji-Long; Feng, Mei-Ling; Huang, Xiao-Ying Towards new cesium containing manganese vanadates via a precursor method CrystEngComm, 2021, 23, 6909-6914
7243515	CIF	Cs4.34 H5.93 Mn1.83 O26.97 V8	P 4/m n c	13.569; 13.569; 8.5361 90; 90; 90	1571.65	Zou, Yan-Min; Lan, Xiao-Yun; Ma, Wen; Jin, Jian-Ce; Sun, Hai-Yan; Li, Ji-Long; Feng, Mei-Ling; Huang, Xiao-Ying Towards new cesium containing manganese vanadates via a precursor method CrystEngComm, 2021, 23, 6909-6914
7243516	CIF	C20 H28 Ag2 B2 F8 N8 S4	P -1	10.7972; 13.496; 13.6852 62.208; 86.974; 67.181	1605.91	Soleymani-Babadi, Susan; Beheshti, Azizolla; Bahrani-Pour, Maryam; Salahshournia, Behrang; Zafarian, Hamid-Reza; Trzybiński, Damian; Mayer, Peter; Wozniak, Krzysztof Involvement of various anions in tuning the structure of silver(i) coordination polymers based on a S-donor ligand: syntheses, crystal structure and uptake properties CrystEngComm, 2021, 23, 7502-7516
7243517	CIF	C10 H14 Ag Cl N4 O4 S2	P 1 21/c 1	10.0969; 18.6753; 7.9739 90; 92.264; 90	1502.41	Soleymani-Babadi, Susan; Beheshti, Azizolla; Bahrani-Pour, Maryam; Salahshournia, Behrang; Zafarian, Hamid-Reza; Trzybiński, Damian; Mayer, Peter; Wozniak, Krzysztof Involvement of various anions in tuning the structure of silver(i) coordination polymers based on a S-donor ligand: syntheses, crystal structure and uptake properties CrystEngComm, 2021, 23, 7502-7516
7243518	CIF	C10 H14 Ag2 N6 O6 S2	P 1 21/n 1	12.0332; 6.5856; 22.1176 90; 102.28; 90	1712.63	Soleymani-Babadi, Susan; Beheshti, Azizolla; Bahrani-Pour, Maryam; Salahshournia, Behrang; Zafarian, Hamid-Reza; Trzybiński, Damian; Mayer, Peter; Wozniak, Krzysztof Involvement of various anions in tuning the structure of silver(i) coordination polymers based on a S-donor ligand: syntheses, crystal structure and uptake properties CrystEngComm, 2021, 23, 7502-7516
7243519	CIF	C12 H14 Ag2 F6 N4 O6 S4	P -1	8.7766; 10.4029; 11.8505 86.302; 81.916; 86.791	1067.79	Soleymani-Babadi, Susan; Beheshti, Azizolla; Bahrani-Pour, Maryam; Salahshournia, Behrang; Zafarian, Hamid-Reza; Trzybiński, Damian; Mayer, Peter; Wozniak, Krzysztof Involvement of various anions in tuning the structure of silver(i) coordination polymers based on a S-donor ligand: syntheses, crystal structure and uptake properties CrystEngComm, 2021, 23, 7502-7516
7243520	CIF	C30 H42 Ag3 F18 N12 P3 S6	P 1 21/n 1	16.532; 11.115; 27.2509 90; 99.442; 90	4939.6	Soleymani-Babadi, Susan; Beheshti, Azizolla; Bahrani-Pour, Maryam; Salahshournia, Behrang; Zafarian, Hamid-Reza; Trzybiński, Damian; Mayer, Peter; Wozniak, Krzysztof Involvement of various anions in tuning the structure of silver(i) coordination polymers based on a S-donor ligand: syntheses, crystal structure and uptake properties CrystEngComm, 2021, 23, 7502-7516
7243521	CIF	C32 H8 F42 I2 N4 O	P 1 21/c 1	28.89; 5.5858; 28.523 90; 104.4; 90	4458.3	Saccone, Marco; Pace, Andrea; Pibiri, Ivana; Cavallo, Gabriella; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo Dissecting the packing forces in mixed perfluorocarbon/aromatic co-crystals CrystEngComm, 2021, 23, 7324-7333
7243522	CIF	C26 H47 N O2 S	P 1 21/n 1	7.5329; 10.6912; 34.1 90; 95.908; 90	2731.7	Bisz, Elwira; Koston, Martina; Szostak, Michal N-Butylpyrrolidone (NBP) as a non-toxic substitute for NMP in iron-catalyzed C(sp2)‒C(sp3) cross-coupling of aryl chlorides Green Chemistry, 2021
7243523	CIF	C84 H54 N16 O6 S3	R -3 :H	21.023; 21.023; 30.595 90; 90; 120	11710.4	Ripoche, Nicolas; Betou, Marie; Philippe, Clotilde; Trolez, Yann; Mongin, Olivier; Dudek, Marta; Pokladek, Ziemowit; Matczyszyn, Katarzyna; Samoc, Marek; Sahnoune, Hiba; Halet, Jean-François; Roisnel, Thierry; Toupet, Loic; Cordier, Marie; Moxey, Graeme; Humphrey, Mark G.; Paul, Frédéric Two-Photon Absorption Properties of Multipolar Triarylamino/ Tosylamido 1,1,4,4-Tetracyanobutadienes Physical Chemistry Chemical Physics, 2021
7243524	CIF	C34 H15 N9	P 1 2/a 1	10.7358; 9.7979; 13.1395 90; 93.928; 90	1378.87	Ripoche, Nicolas; Betou, Marie; Philippe, Clotilde; Trolez, Yann; Mongin, Olivier; Dudek, Marta; Pokladek, Ziemowit; Matczyszyn, Katarzyna; Samoc, Marek; Sahnoune, Hiba; Halet, Jean-François; Roisnel, Thierry; Toupet, Loic; Cordier, Marie; Moxey, Graeme; Humphrey, Mark G.; Paul, Frédéric Two-Photon Absorption Properties of Multipolar Triarylamino/ Tosylamido 1,1,4,4-Tetracyanobutadienes Physical Chemistry Chemical Physics, 2021
7243525	CIF	C77 H76 N10 O4 S2	P -1	12.2334; 16.0882; 18.7919 107.984; 97.849; 90.566	3479.5	Ripoche, Nicolas; Betou, Marie; Philippe, Clotilde; Trolez, Yann; Mongin, Olivier; Dudek, Marta; Pokladek, Ziemowit; Matczyszyn, Katarzyna; Samoc, Marek; Sahnoune, Hiba; Halet, Jean-François; Roisnel, Thierry; Toupet, Loic; Cordier, Marie; Moxey, Graeme; Humphrey, Mark G.; Paul, Frédéric Two-Photon Absorption Properties of Multipolar Triarylamino/ Tosylamido 1,1,4,4-Tetracyanobutadienes Physical Chemistry Chemical Physics, 2021
7243526	CIF	C20 H16 Br N3 O	P 1 21/c 1	13.4703; 14.2884; 9.0192 90; 97.198; 90	1722.24	Zhao, Mengfei; Qin, Zengxin; Zhang, Kaixin; Li, Jizhen Metal-free site-selective C‒H cyanoalkylation of 8-aminoquinoline and aniline-derived amides with azobisisobutyronitrile RSC Advances, 2021, 11, 30719-30724
7243527	CIF	C17 H33 F6 Mo N4 O3 P	P b c a	17.1434; 14.9459; 18.1606 90; 90; 90	4653.2	Gessner, Niklas; Bäck, Anna Karina; Knorr, Johannes; Nagel, Christoph; Marquetand, Philipp; Schatzschneider, Ulrich; González, Leticia; Nuernberger, Patrick Ultrafast Photochemistry of a Molybdenum Carbonyl-Nitrosyl Complex with a Triazacyclononane Coligand Physical Chemistry Chemical Physics, 2021
7243528	CIF	C18 H18 Cl F2 N3 O4	P 1 21/n 1	10.248; 9.092; 20.307 90; 92.102; 90	1890.8	Glinyanaya, Nataliya V.; Rayenko, Gennady F.; Korotkikh, Nikolai I.; Rusanov, Eduard B.; Ryabitsky, Alexey B.; Shvaika, Oles P. Halogen-containing heteroaromatic carbenes of the 1,2,4-triazole series and their transformations RSC Advances, 2021, 11, 30841-30848
7243529	CIF	C38 H36 Cu2 F6 I2 N6	P 1 21/n 1	12.6541; 19.843; 18.004 90; 109.426; 90	4263.4	Glinyanaya, Nataliya V.; Rayenko, Gennady F.; Korotkikh, Nikolai I.; Rusanov, Eduard B.; Ryabitsky, Alexey B.; Shvaika, Oles P. Halogen-containing heteroaromatic carbenes of the 1,2,4-triazole series and their transformations RSC Advances, 2021, 11, 30841-30848
7243530	CIF	C18 H17 Cu F2 I N3	P b c a	10.4747; 16.568; 23.0336 90; 90; 90	3997.36	Glinyanaya, Nataliya V.; Rayenko, Gennady F.; Korotkikh, Nikolai I.; Rusanov, Eduard B.; Ryabitsky, Alexey B.; Shvaika, Oles P. Halogen-containing heteroaromatic carbenes of the 1,2,4-triazole series and their transformations RSC Advances, 2021, 11, 30841-30848
7243531	CIF	C18 H17 F2 N3	P -1	5.4869; 10.1446; 14.6445 101.552; 93.625; 93.431	794.84	Glinyanaya, Nataliya V.; Rayenko, Gennady F.; Korotkikh, Nikolai I.; Rusanov, Eduard B.; Ryabitsky, Alexey B.; Shvaika, Oles P. Halogen-containing heteroaromatic carbenes of the 1,2,4-triazole series and their transformations RSC Advances, 2021, 11, 30841-30848
7243532	CIF	C21 H31 Br N3 O6.5 S	C 1 2/c 1	18.9632; 18.2169; 14.9312 90; 110.55; 90	4829.8	Glinyanaya, Nataliya V.; Rayenko, Gennady F.; Korotkikh, Nikolai I.; Rusanov, Eduard B.; Ryabitsky, Alexey B.; Shvaika, Oles P. Halogen-containing heteroaromatic carbenes of the 1,2,4-triazole series and their transformations RSC Advances, 2021, 11, 30841-30848
7243533	CIF	C29 H16 Ce O8	P -1	12.1829; 14.9798; 15.5382 67.68; 69.005; 67.206	2343.1	Wu, Xiaoling; Li, Zi-Jian; Zhou, He; Li, Lin; Qian, Zhenghua; Qian, Nan; Chu, Xinxin; Liu, Wei A microporous Ce-based MOF with the octahedron cage for highly selective adsorption towards xenon over krypton RSC Advances, 2021, 11, 30918-30924
7243534	CIF	C20 H12 I2 N2	P 1 21/n 1	8.6398; 19.4072; 10.7039 90; 101.237; 90	1760.36	Saidykhan, Amie; Fenwick, Nathan W.; Bowen, Richard D.; Telford, Richard; Seaton, Colin C. Isostructurality of quinoxaline crystal phases: the interplay of weak hydrogen bonds and halogen bonding CrystEngComm, 2021, 23, 7108-7117
7243535	CIF	C20 H12 Cl2 N2	P 1 21/n 1	13.368; 7.5374; 16.175 90; 104.64; 90	1576.9	Saidykhan, Amie; Fenwick, Nathan W.; Bowen, Richard D.; Telford, Richard; Seaton, Colin C. Isostructurality of quinoxaline crystal phases: the interplay of weak hydrogen bonds and halogen bonding CrystEngComm, 2021, 23, 7108-7117
7243536	CIF	C20 H12 F2 N2	P 1 21/n 1	12.7621; 7.6916; 15.439 90; 101.23; 90	1486.5	Saidykhan, Amie; Fenwick, Nathan W.; Bowen, Richard D.; Telford, Richard; Seaton, Colin C. Isostructurality of quinoxaline crystal phases: the interplay of weak hydrogen bonds and halogen bonding CrystEngComm, 2021, 23, 7108-7117
7243537	CIF	C22 H18 N2	P 1 21/n 1	12.313; 7.563; 17.916 90; 102.333; 90	1629.9	Saidykhan, Amie; Fenwick, Nathan W.; Bowen, Richard D.; Telford, Richard; Seaton, Colin C. Isostructurality of quinoxaline crystal phases: the interplay of weak hydrogen bonds and halogen bonding CrystEngComm, 2021, 23, 7108-7117
7243538	CIF	C15 H13 Cd N2 O5 S	P -1	6.2638; 10.7726; 12.388 111.317; 96.567; 105.524	729.15	Fu, Miao-Miao; Liu, Ce; Dong, Gui-Ying Two Cd(ii)-based metal–organic frameworks for the highly effective detection of Fe3+ ions and levofloxacin in aqueous media CrystEngComm, 2021, 23, 7397-7405
7243539	CIF	C15 H10 Cd N O4	P -1	7.5153; 9.8544; 10.3104 62.368; 76.205; 67.714	624.13	Fu, Miao-Miao; Liu, Ce; Dong, Gui-Ying Two Cd(ii)-based metal–organic frameworks for the highly effective detection of Fe3+ ions and levofloxacin in aqueous media CrystEngComm, 2021, 23, 7397-7405
7243540	CIF	C39 H37 N7 O13 Zn2	P 1 21/n 1	9.4083; 13.686; 18.288 90; 99.846; 90	2320.1	Wu, Qi; Yang, Xiao-Li; Ding, Ze-Yu; Meng, Xiao-Yun; Zhang, Wen-Yan; Yan, Yang-Tian; Yang, Guo-Ping; Wang, Yao-Yu A multi-functional two-dimensional Zn(ii)-organic framework for selective carbon dioxide adsorption, sensing of nitrobenzene and Cr2O72− CrystEngComm, 2021, 23, 7643-7649
7243541	CIF	C24 H16 Co N2 O4	P 1 21/c 1	10.3931; 16.027; 14.996 90; 98.243; 90	2472.1	Ndamyabera, Christophe A.; Chatterjee, Nabanita; Oliver, Clive L.; Bourne, Susan A. Robust pyridylbenzoate metal–organic frameworks as sorbents for volatile solvents and gases CrystEngComm, 2021, 23, 7162-7170
7243542	CIF	C24 H16 Co N2 O4	P 1 21/c 1	10.4014; 16.133; 14.6878 90; 98.482; 90	2437.7	Ndamyabera, Christophe A.; Chatterjee, Nabanita; Oliver, Clive L.; Bourne, Susan A. Robust pyridylbenzoate metal–organic frameworks as sorbents for volatile solvents and gases CrystEngComm, 2021, 23, 7162-7170
7243543	CIF	C24 H16 Co I1.6 N2 O4	P 1 21/c 1	10.114; 16.501; 14.7 90; 97.159; 90	2434.2	Ndamyabera, Christophe A.; Chatterjee, Nabanita; Oliver, Clive L.; Bourne, Susan A. Robust pyridylbenzoate metal–organic frameworks as sorbents for volatile solvents and gases CrystEngComm, 2021, 23, 7162-7170
7243544	CIF	C24 H16.5 N2 O4.25 Zn	P 1 21/c 1	10.2197; 16.1263; 14.8826 90; 98.059; 90	2428.5	Ndamyabera, Christophe A.; Chatterjee, Nabanita; Oliver, Clive L.; Bourne, Susan A. Robust pyridylbenzoate metal–organic frameworks as sorbents for volatile solvents and gases CrystEngComm, 2021, 23, 7162-7170
7243545	CIF	C21 H16 Cl N3 O3 S	P -1	8.3414; 10.8615; 11.6407 69.332; 87.543; 76.539	958.77	Kumar, Navaneet; Bhadoria, Deepak; Kumar, Atul Visible-light-promoted three-component cycloaddition reaction: synthesis of 4-functionalized 1,5-disubstituted 1,2,3-triazoles Green Chemistry, 2021, 23, 7987-7995
7243546	CIF	C22 H14 Co N2 O4	R -3 :H	27.0844; 27.0844; 22.219 90; 90; 120	14115.4	Liu, Qing; Zhang, Lin-Yan; Bao, Yu-Mei; Zhang, Na; Zhang, Jian-Yong; Xing, Yuan-Yuan; Deng, Wei; Liu, Zhen-Jiang Structures and catalytic oxidative coupling reaction of four Co-MOFs modified with R-isophthalic acid (RH, OH and COOH) and trigonal ligands CrystEngComm, 2021, 23, 7590-7601
7243547	CIF	C29 H19 Co N3 O5	C 1 2/c 1	25.1587; 12.6586; 16.9319 90; 102.447; 90	5265.6	Liu, Qing; Zhang, Lin-Yan; Bao, Yu-Mei; Zhang, Na; Zhang, Jian-Yong; Xing, Yuan-Yuan; Deng, Wei; Liu, Zhen-Jiang Structures and catalytic oxidative coupling reaction of four Co-MOFs modified with R-isophthalic acid (RH, OH and COOH) and trigonal ligands CrystEngComm, 2021, 23, 7590-7601
7243548	CIF	C60 H40 Co3 N6 O14	P -1	10.1206; 13.677; 15.8965 70.383; 78.221; 83.458	2026.56	Liu, Qing; Zhang, Lin-Yan; Bao, Yu-Mei; Zhang, Na; Zhang, Jian-Yong; Xing, Yuan-Yuan; Deng, Wei; Liu, Zhen-Jiang Structures and catalytic oxidative coupling reaction of four Co-MOFs modified with R-isophthalic acid (RH, OH and COOH) and trigonal ligands CrystEngComm, 2021, 23, 7590-7601
7243549	CIF	C22 H14 Co N2 O5	R -3 :H	27.0648; 27.0648; 22.965 90; 90; 120	14568	Liu, Qing; Zhang, Lin-Yan; Bao, Yu-Mei; Zhang, Na; Zhang, Jian-Yong; Xing, Yuan-Yuan; Deng, Wei; Liu, Zhen-Jiang Structures and catalytic oxidative coupling reaction of four Co-MOFs modified with R-isophthalic acid (RH, OH and COOH) and trigonal ligands CrystEngComm, 2021, 23, 7590-7601
7243550	CIF	C6 H14 Cl4 Cu2 N2	P 1 21/n 1	6.4278; 13.986; 12.7277 90; 91.79; 90	1143.65	Goreshnik, Evgeny Influence of the synthetic conditions on a formation of 1-D, 2-D and 3-D copper–chloride coordination polymers CrystEngComm, 2021, 23, 7171-7178
7243551	CIF	C6 H18 Cl7 Cu7 S3	P 63 m c	13.9585; 13.9585; 6.4715 90; 90; 120	1091.98	Goreshnik, Evgeny Influence of the synthetic conditions on a formation of 1-D, 2-D and 3-D copper–chloride coordination polymers CrystEngComm, 2021, 23, 7171-7178
7243552	CIF	C6 H14 Cl6 Cu2 N2	P 1 2/n 1	6.9394; 8.4624; 12.2504 90; 104.482; 90	696.53	Goreshnik, Evgeny Influence of the synthetic conditions on a formation of 1-D, 2-D and 3-D copper–chloride coordination polymers CrystEngComm, 2021, 23, 7171-7178
7243553	CIF	C6 H14 Cl5 Cu3 N2	P n m a	17.3198; 7.5743; 10.1087 90; 90; 90	1326.11	Goreshnik, Evgeny Influence of the synthetic conditions on a formation of 1-D, 2-D and 3-D copper–chloride coordination polymers CrystEngComm, 2021, 23, 7171-7178
7243554	CIF	C4 H2 K2 N10 O5	P 1 21/c 1	12.1233; 8.2762; 11.5289 90; 99.076; 90	1142.27	Wang, Yu; Ye, Jin; Yang, Na; Ma, Haixia; Zhang, Yazhou; Guo, Zhaoqi Strong intermolecular interaction induced methylene-bridged asymmetric heterocyclic explosives CrystEngComm, 2021, 23, 7635-7642
7243555	CIF	C4 H10 N12 O5	P 1 21/c 1	12.6801; 8.2805; 11.665 90; 97.819; 90	1213.41	Wang, Yu; Ye, Jin; Yang, Na; Ma, Haixia; Zhang, Yazhou; Guo, Zhaoqi Strong intermolecular interaction induced methylene-bridged asymmetric heterocyclic explosives CrystEngComm, 2021, 23, 7635-7642
7243556	CIF	C4 H4 N10 O5	P b c a	9.4839; 9.0436; 22.4984 90; 90; 90	1929.66	Wang, Yu; Ye, Jin; Yang, Na; Ma, Haixia; Zhang, Yazhou; Guo, Zhaoqi Strong intermolecular interaction induced methylene-bridged asymmetric heterocyclic explosives CrystEngComm, 2021, 23, 7635-7642
7243557	CIF	C6 H14 Cl4 Cu2 N2	P 1 21/n 1	6.4278; 13.986; 12.7277 90; 91.79; 90	1143.65	Sun, Tingting; Lin, Shuang-Yan; Xu, Zhikun; Li, L. In-situ growth of Fe doped NiCo-MOF electrocatalyst from layered double hydroxide effectively enhances electrocatalytic oxygen evolution performance CrystEngComm, 2021
7243558	CIF	C6 H18 Cl7 Cu7 S3	P 63 m c	13.9585; 13.9585; 6.4715 90; 90; 120	1091.98	Sun, Tingting; Lin, Shuang-Yan; Xu, Zhikun; Li, L. In-situ growth of Fe doped NiCo-MOF electrocatalyst from layered double hydroxide effectively enhances electrocatalytic oxygen evolution performance CrystEngComm, 2021
7243559	CIF	C6 H14 Cl6 Cu2 N2	P 1 2/n 1	6.9394; 8.4624; 12.2504 90; 104.482; 90	696.53	Sun, Tingting; Lin, Shuang-Yan; Xu, Zhikun; Li, L. In-situ growth of Fe doped NiCo-MOF electrocatalyst from layered double hydroxide effectively enhances electrocatalytic oxygen evolution performance CrystEngComm, 2021
7243560	CIF	C6 H14 Cl5 Cu3 N2	P n m a	17.3198; 7.5743; 10.1087 90; 90; 90	1326.11	Sun, Tingting; Lin, Shuang-Yan; Xu, Zhikun; Li, L. In-situ growth of Fe doped NiCo-MOF electrocatalyst from layered double hydroxide effectively enhances electrocatalytic oxygen evolution performance CrystEngComm, 2021
7243561	CIF	B12 H12 Na O27 Rb5	R 3 2 :H	11.1487; 11.1487; 20.6785 90; 90; 120	2225.9	Qiu, Qi-Ming; Sun, Ke-Ning; Yang, Guo-Yu Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks CrystEngComm, 2021, 23, 7081-7089
7243562	CIF	B12 H4 O22 Rb4	P 1 21/c 1	9.154; 6.6585; 18.6325 90; 117.594; 90	1006.5	Qiu, Qi-Ming; Sun, Ke-Ning; Yang, Guo-Yu Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks CrystEngComm, 2021, 23, 7081-7089
7243563	CIF	B12 Ba H4 O22 Rb2	P 1 21/c 1	9.058; 6.62; 18.294 90; 117.603; 90	972.1	Qiu, Qi-Ming; Sun, Ke-Ning; Yang, Guo-Yu Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks CrystEngComm, 2021, 23, 7081-7089
7243564	CIF	B5 H O9 Rb2	P c a 21	8.5942; 7.6284; 13.1321 90; 90; 90	860.94	Qiu, Qi-Ming; Sun, Ke-Ning; Yang, Guo-Yu Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks CrystEngComm, 2021, 23, 7081-7089
7243565	CIF	B12 H3 Na2 O21 Rb	P a -3	12.3596; 12.3596; 12.3596 90; 90; 90	1888	Qiu, Qi-Ming; Sun, Ke-Ning; Yang, Guo-Yu Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks CrystEngComm, 2021, 23, 7081-7089
7243566	CIF	C37 H32 Cl2 O	P -1	9.76; 10.85; 15.146 98.37; 96.251; 103.375	1526.8	Barton, Benita; Barnardo, Brandon; Hosten, Eric C. Selectivity behaviour of two roof-shaped host compounds in the presence of xylene and ethylbenzene guest mixtures CrystEngComm, 2021, 23, 7278-7288
7243567	CIF	C37 H32 Cl2 O	P -1	9.83; 10.658; 15.343 96.197; 96.104; 105.604	1523.7	Barton, Benita; Barnardo, Brandon; Hosten, Eric C. Selectivity behaviour of two roof-shaped host compounds in the presence of xylene and ethylbenzene guest mixtures CrystEngComm, 2021, 23, 7278-7288
7243568	CIF	C37 H32 Cl2 O	P -1	10.3172; 12.742; 13.082 67.795; 71.424; 72.877	1479.3	Barton, Benita; Barnardo, Brandon; Hosten, Eric C. Selectivity behaviour of two roof-shaped host compounds in the presence of xylene and ethylbenzene guest mixtures CrystEngComm, 2021, 23, 7278-7288
7243569	CIF	C37 H32 Cl2 O	P -1	9.8151; 10.9036; 14.5415 94.486; 97.7538; 104.653	1481.57	Barton, Benita; Barnardo, Brandon; Hosten, Eric C. Selectivity behaviour of two roof-shaped host compounds in the presence of xylene and ethylbenzene guest mixtures CrystEngComm, 2021, 23, 7278-7288
7243570	CIF	C19 H20 O6	P n a 21	21.521; 11.299; 6.774 90; 90; 90	1647.2	Wang, Tingshu; Zhang, Miao; Zheng, Yifan; Seong, Junmo; Lah, Myoung Soo; Koo, Sangho Furan oxidation by Mn(iii)/Co(ii) catalysts ‒ application to benzofuran synthesis RSC Advances, 2021, 11, 31395-31399
7243571	CIF	C23 H22 O6	P 1 21 1	7.6292; 18.955; 27.164 90; 91.56; 90	3926.8	Wang, Tingshu; Zhang, Miao; Zheng, Yifan; Seong, Junmo; Lah, Myoung Soo; Koo, Sangho Furan oxidation by Mn(iii)/Co(ii) catalysts – application to benzofuran synthesis RSC Advances, 2021, 11, 31395-31399
7243572	CIF	C19 H19 N O8	P 1 21/n 1	7.9677; 8.9993; 24.879 90; 98.37; 90	1764.9	Wang, Tingshu; Zhang, Miao; Zheng, Yifan; Seong, Junmo; Lah, Myoung Soo; Koo, Sangho Furan oxidation by Mn(iii)/Co(ii) catalysts ‒ application to benzofuran synthesis RSC Advances, 2021, 11, 31395-31399
7243573	CIF	C14 H20 O2	P 21 21 21	5.0851; 13.6181; 18.784 90; 90; 90	1300.8	Gamidi, Rama Krishna; Dandawate, Monica; Choudhury, Rahul; Tothadi, Srinu; Nangia, Ashwini; Reddy, D. Srinivasa Separation of a diastereomeric diol pair using mechanical properties of crystals CrystEngComm, 2021
7243574	CIF	C14 H20 O2	P 1 21 1	12.4314; 5.0981; 20.634 90; 106.37; 90	1254.7	Gamidi, Rama Krishna; Dandawate, Monica; Choudhury, Rahul; Tothadi, Srinu; Nangia, Ashwini; Reddy, D. Srinivasa Separation of a diastereomeric diol pair using mechanical properties of crystals CrystEngComm, 2021
7243575	CIF	Ca10.42 Gd0.58 Sb9.69	I 4/m m m	11.9737; 11.9737; 17.3326 90; 90; 90	2485	Sa, Hayeon; Lee, Junsu; Hong, Yeongjin; Han, Mi-Kyung; Jo, Hongil; Moon, Dohyun; Ok, Kang Min; Kim, Sung-Jin; You, Tae-Soo Early stage of the single-crystal growth and tipping point of the cationic site preference in Gd-doped Zintl phase thermoelectric materials CrystEngComm, 2021, 23, 7097-7107
7243576	CIF	Ca10.63 Gd0.37 Sb9.74	I 4/m m m	11.9875; 11.9875; 17.36 90; 90; 90	2494.6	Sa, Hayeon; Lee, Junsu; Hong, Yeongjin; Han, Mi-Kyung; Jo, Hongil; Moon, Dohyun; Ok, Kang Min; Kim, Sung-Jin; You, Tae-Soo Early stage of the single-crystal growth and tipping point of the cationic site preference in Gd-doped Zintl phase thermoelectric materials CrystEngComm, 2021, 23, 7097-7107
7243577	CIF	Ca10.64 Gd0.36 Sb9.63	I 4/m m m	11.985; 11.985; 17.2845 90; 90; 90	2482.7	Sa, Hayeon; Lee, Junsu; Hong, Yeongjin; Han, Mi-Kyung; Jo, Hongil; Moon, Dohyun; Ok, Kang Min; Kim, Sung-Jin; You, Tae-Soo Early stage of the single-crystal growth and tipping point of the cationic site preference in Gd-doped Zintl phase thermoelectric materials CrystEngComm, 2021, 23, 7097-7107
7243578	CIF	C31 H38 N O7.5 S2	I 1 2 1	21.8237; 6.3425; 23.2717 90; 112.529; 90	2975.4	Chen, Yifu; Jing, Bo; Chang, Zewei; Gong, Junbo Desolvation induced crystal jumping: reversible hydration and dehydration of a spironolactone–saccharin cocrystal with water as the jumping-mate CrystEngComm, 2021, 23, 6838-6842
7243579	CIF	C31 H38 N O7.5 S2	C 1 2 1	25.2663; 6.3994; 22.1324 90; 120.785; 90	3074.33	Chen, Yifu; Jing, Bo; Chang, Zewei; Gong, Junbo Desolvation induced crystal jumping: reversible hydration and dehydration of a spironolactone–saccharin cocrystal with water as the jumping-mate CrystEngComm, 2021, 23, 6838-6842
7243580	CIF	C31 H37.25 N O7.12 S2	C 1 2 1	25.321; 6.4135; 22.097 90; 121.404; 90	3062.8	Chen, Yifu; Jing, Bo; Chang, Zewei; Gong, Junbo Desolvation induced crystal jumping: reversible hydration and dehydration of a spironolactone–saccharin cocrystal with water as the jumping-mate CrystEngComm, 2021, 23, 6838-6842
7243581	CIF	C31 H37 N O7 S2	C 1 2 1	25.208; 6.3747; 21.98 90; 121.001; 90	3027.5	Chen, Yifu; Jing, Bo; Chang, Zewei; Gong, Junbo Desolvation induced crystal jumping: reversible hydration and dehydration of a spironolactone–saccharin cocrystal with water as the jumping-mate CrystEngComm, 2021, 23, 6838-6842
7243582	CIF	C31 H37.5 N O7.25 S2	C 1 2 1	25.2658; 6.3976; 22.0858 90; 121.138; 90	3055.6	Chen, Yifu; Jing, Bo; Chang, Zewei; Gong, Junbo Desolvation induced crystal jumping: reversible hydration and dehydration of a spironolactone–saccharin cocrystal with water as the jumping-mate CrystEngComm, 2021, 23, 6838-6842
7243583	CIF	C27 H20 Co N4 O6	C 1 2/c 1	17.714; 17.989; 15.344 90; 105.098; 90	4721	Liu, Ya; Ren, Li; Cui, Guang-Hua Two Co(ii)-based coordination polymers as multi-responsive luminescent sensors for the detection of levofloxacin, benzaldehyde and Fe3+ ions in water media CrystEngComm, 2021, 23, 7485-7495
7243584	CIF	C28.5 H21 Co N3 O5	C 1 2/c 1	12.6009; 30.1566; 13.5693 90; 107.237; 90	4924.8	Liu, Ya; Ren, Li; Cui, Guang-Hua Two Co(ii)-based coordination polymers as multi-responsive luminescent sensors for the detection of levofloxacin, benzaldehyde and Fe3+ ions in water media CrystEngComm, 2021, 23, 7485-7495
7243585	CIF	C64 H32 N16 Nd	P 4/n n c :2	19.937; 19.937; 6.4202 90; 90; 90	2551.9	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243586	CIF	C64 H32 N16 Tb	C 1 2/c 1	28.086; 14.16; 13.1416 90; 115.708; 90	4709.1	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243587	CIF	C65 H34 Cl2 N16 Sm	P n m a	28.1354; 22.945; 7.8933 90; 90; 90	5095.7	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243588	CIF	C64 H32 La N16	P 4/n n c :2	19.9227; 19.9227; 6.3925 90; 90; 90	2537.27	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243589	CIF	C64 H32 Gd N16	P 21 21 21	8.8412; 10.5892; 50.762 90; 90; 90	4752.4	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243590	CIF	C65 H34 Cl2 N16 Nd	P n m a	28.0851; 22.9636; 7.8897 90; 90; 90	5088.3	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243591	CIF	C65 H34 Cl2 Gd N16	P n m a	28.356; 22.882; 8.046 90; 90; 90	5220.6	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243592	CIF	C64 H32 Dy N16	P 21 21 21	8.8171; 10.5671; 50.648 90; 90; 90	4718.9	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243593	CIF	C65 H34 Cl2 Dy N16	P n m a	28.01; 22.923; 7.8994 90; 90; 90	5072	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243594	CIF	C65 H34 Cl2 N16 Yb	P n m a	27.955; 22.921; 7.8802 90; 90; 90	5049.3	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243595	CIF	C64 H32 N16 Tb	P 21 21 21	8.8136; 10.5756; 50.713 90; 90; 90	4726.9	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243596	CIF	C64 H32 N16 Yb	P 21 21 21	8.7901; 10.5965; 50.568 90; 90; 90	4710.1	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243597	CIF	C64 H32 Dy N16	P 4/n n c :2	19.548; 19.548; 6.477 90; 90; 90	2475	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243598	CIF	C65 H34 Cl2 La N16	P n m a	28.0409; 22.944; 7.8783 90; 90; 90	5068.7	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243599	CIF	C64 H32 N16 Nd	C 1 2/c 1	28.103; 14.1751; 13.1851 90; 115.596; 90	4737	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243600	CIF	C64 H32 N16 Sm	C 1 2/c 1	28.1112; 14.2031; 13.1654 90; 115.574; 90	4741.5	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243601	CIF	C65 H34 Cl2 Er N16	P n m a	28.016; 22.942; 7.8678 90; 90; 90	5057	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243602	CIF	C64 H32 N16 Pr	C 1 2/c 1	28.106; 14.1593; 13.1975 90; 115.551; 90	4738.4	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243603	CIF	C64 H32 N16 Sm	P 21 21 21	8.8201; 10.6092; 50.7567 90; 90; 90	4749.5	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243604	CIF	C64 H32 Gd N16	C 1 2/c 1	28.125; 14.1663; 13.1416 90; 115.688; 90	4718.5	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243605	CIF	C65 H34 Cl2 N16 Tb	P n m a	28.0516; 22.9642; 7.8827 90; 90; 90	5077.9	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243606	CIF	C64 H32 N16 Nd	P 21 21 21	8.852; 10.604; 50.844 90; 90; 90	4772.6	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243607	CIF	C65 H34 Cl2 N16 Pr	P n m a	28.1128; 22.9663; 7.8883 90; 90; 90	5093.1	Dailey, Maegan; Besson, Claire Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs CrystEngComm, 2021, 23, 7151-7161
7243608	CIF	C13 H11 Cl2 N3 O4	P 1 21/n 1	3.8492; 25.618; 15.127 90; 96.92; 90	1480.8	Fang, Lan; Xiao, Yuntian; Zhang, Chengtian; Gao, Zhenguo; Wu, Songgu; Gong, Junbo; Rohani, Sohrab Intermolecular interactions and solubility behavior of multicomponent crystal forms of 2,4-D: design, structure analysis, and solid-state characterization CrystEngComm, 2021, 23, 7615-7627
7243609	CIF	C13 H12 Cl2 N2 O3	P 1 21/n 1	11.1527; 5.1499; 24.1986 90; 94.245; 90	1386.04	Fang, Lan; Xiao, Yuntian; Zhang, Chengtian; Gao, Zhenguo; Wu, Songgu; Gong, Junbo; Rohani, Sohrab Intermolecular interactions and solubility behavior of multicomponent crystal forms of 2,4-D: design, structure analysis, and solid-state characterization CrystEngComm, 2021, 23, 7615-7627
7243610	CIF	C11 H10 Cl2 N2 O3	P 1 21/c 1	4.9189; 12.7069; 19.7761 90; 90.777; 90	1235.97	Fang, Lan; Xiao, Yuntian; Zhang, Chengtian; Gao, Zhenguo; Wu, Songgu; Gong, Junbo; Rohani, Sohrab Intermolecular interactions and solubility behavior of multicomponent crystal forms of 2,4-D: design, structure analysis, and solid-state characterization CrystEngComm, 2021, 23, 7615-7627
7243611	CIF	C13 H12 Cl2 N2 O3	P 1 21/n 1	10.5164; 5.3915; 24.4188 90; 90.966; 90	1384.33	Fang, Lan; Xiao, Yuntian; Zhang, Chengtian; Gao, Zhenguo; Wu, Songgu; Gong, Junbo; Rohani, Sohrab Intermolecular interactions and solubility behavior of multicomponent crystal forms of 2,4-D: design, structure analysis, and solid-state characterization CrystEngComm, 2021, 23, 7615-7627
7243612	CIF	C14 H12 Cl2 N2 O4	P -1	3.9581; 10.518; 17.6996 79.048; 84.886; 85.843	719.39	Fang, Lan; Xiao, Yuntian; Zhang, Chengtian; Gao, Zhenguo; Wu, Songgu; Gong, Junbo; Rohani, Sohrab Intermolecular interactions and solubility behavior of multicomponent crystal forms of 2,4-D: design, structure analysis, and solid-state characterization CrystEngComm, 2021, 23, 7615-7627
7243613	CIF	C19 H17 F8 N5 O3	C 1 2 1	11.1446; 6.5924; 29.135 90; 93.968; 90	2135.4	Ning, Yongquan; Wang, Hongwei; Sivaguru, Paramasivam; Li, Shuang; Zanoni, Giuseppe; Nolan, Steven P.; Bi, Xihe Defluorinative [4 + 1] annulation of perfluoroalkyl N-mesylhydrazones with primary amines provides 5-fluoroalkyl 1,2,3-triazoles Green Chemistry, 2021, 23, 7976-7981
7243614	CIF	C30 H19 P S6 Se	P -1	8.8726; 12.5498; 25.9772 92.616; 97.874; 100.725	2807.7	Yang, Zi; Zhang, Zhikai; Xue, CeCe; Yang, Kai; Gao, Rong; Yu, Na; Ren, Yi Excited-State Engineering of Oligothiophenes via Phosphorus Chemistry towards Strong Fluorescent Materials Physical Chemistry Chemical Physics, 2021
7243615	CIF	C16 H21 N2 O6 Zn	P n m a	18.3597; 30.8839; 11.3262 90; 90; 90	6422.2	Chen, Mao-Long; Qi, Zhen-Li; Jin, Wan-Ting; Xu, Zhou; Cheng, Yun-Hui; Zhou, Zhao-Hui Cation exchange in a fluorescent zinc-based metal–organic framework for cadmium ion detection CrystEngComm, 2021, 23, 7442-7449
7243616	CIF	C7 H6 In N O8 P	P -1	6.6218; 9.3168; 9.4721 114.317; 95.498; 105.293	499.59	Huang, Lijuan; Xu, Haiping; Zhao, Yan; Huang, Ling; Bi, Jian; Zeng, Hongmei; Zou, Guohong; Gao, Daojiang; Lin, Zhien Isonicotinic acid-templated metal phosphate–oxalates: solvent-free synthesis, luminescence, and proton conduction CrystEngComm, 2021, 23, 6855-6858
7243617	CIF	C8 H9 Ga N O11 P	C 1 2/c 1	7.8667; 16.1141; 21.1102 90; 90.836; 90	2675.7	Huang, Lijuan; Xu, Haiping; Zhao, Yan; Huang, Ling; Bi, Jian; Zeng, Hongmei; Zou, Guohong; Gao, Daojiang; Lin, Zhien Isonicotinic acid-templated metal phosphate–oxalates: solvent-free synthesis, luminescence, and proton conduction CrystEngComm, 2021, 23, 6855-6858
7243618	CIF	C19 H11 F2 N	C 1 c 1	3.8635; 26.708; 12.5375 90; 90.609; 90	1293.63	Xiang, Shiqun; Fan, Weibin; Zhang, Wei; Li, Yinghua; Guo, Shiwei; Huang, Deguang Aqueous CO2 fixation: construction of pyridine skeletons in cooperation with ammonium cations Green Chemistry, 2021, 23, 7950-7955
7243619	CIF	C23 H21 N	P b c n	11.0913; 16.1163; 9.1839 90; 90; 90	1641.6	Xiang, Shiqun; Fan, Weibin; Zhang, Wei; Li, Yinghua; Guo, Shiwei; Huang, Deguang Aqueous CO2 fixation: construction of pyridine skeletons in cooperation with ammonium cations Green Chemistry, 2021, 23, 7950-7955
7243620	CIF	C19 H11 Cl2 N	P -1	7.1916; 8.2658; 13.5299 87.021; 75.797; 68.795	726.3	Xiang, Shiqun; Fan, Weibin; Zhang, Wei; Li, Yinghua; Guo, Shiwei; Huang, Deguang Aqueous CO2 fixation: construction of pyridine skeletons in cooperation with ammonium cations Green Chemistry, 2021, 23, 7950-7955
7243621	CIF	C21 H17 N O2	P 1 21/c 1	12.6441; 17.5664; 15.456 90; 114.037; 90	3135.26	Xiang, Shiqun; Fan, Weibin; Zhang, Wei; Li, Yinghua; Guo, Shiwei; Huang, Deguang Aqueous CO2 fixation: construction of pyridine skeletons in cooperation with ammonium cations Green Chemistry, 2021, 23, 7950-7955
7243622	CIF	C172 H352 N24 O117 Pt4 S4	I -4 3 d	39.9546; 39.9546; 39.9546 90; 90; 90	63782.3	Aoki, Kentaro; Otsubo, Kazuya; Kitagawa, Hiroshi A square-shaped complex with an electron-acceptor ligand: unique cubic crystal symmetry and similarity to the inorganic mineral katoite CrystEngComm, 2021, 23, 7691-7697
7243623	CIF	C28 H30 Eu N2 O19.5	P n n a	27.0123; 21.1322; 11.5913 90; 90; 90	6616.7	Wang, Cui-Li; Zheng, Ya-Xin; Chen, Le; Zhu, Cai-Yong; Gao, Wei; Li, Peng; Jie-Ping, Liu; Zhang, Xiu-Mei The construction of a multifunctional luminescent Eu-MOF for the sensing of Fe3+, Cr2O72− and amines in aqueous solution CrystEngComm, 2021, 23, 7581-7589
7243624	CIF	C57 H120 N15 O6 V3	P 1 21/n 1	8.24; 34.3199; 12.7556 90; 93.197; 90	3601.62	Kikukawa, Yuji; Kawabata, Hiroko; Hayashi, Yoshihito Synthesis of cyanooxovanadate and cyanosilylation of ketones RSC Advances, 2021, 11, 31688-31692
7243625	CIF	C31 H32 Cd N4 O7	P -1	10.4592; 11.9988; 12.1578 95.789; 97.053; 91.219	1505.63	Chi, Jie; Mu, Yajun; Li, Yan; Shao, Pengpeng; Liu, Guocheng; Cai, Bin; Xu, Na; Chen, Yongqiang Polytorsional-amide/carboxylates-directed Cd(ii) coordination polymers exhibiting multi-functional sensing behaviors RSC Advances, 2021, 11, 31756-31765
7243626	CIF	C31.03 H30.55 Cd Cl0.24 N4 O5.52	P -1	9.3563; 9.873; 17.234 77.943; 75.068; 71.533	1444.9	Chi, Jie; Mu, Yajun; Li, Yan; Shao, Pengpeng; Liu, Guocheng; Cai, Bin; Xu, Na; Chen, Yongqiang Polytorsional-amide/carboxylates-directed Cd(ii) coordination polymers exhibiting multi-functional sensing behaviors RSC Advances, 2021, 11, 31756-31765
7243627	CIF	C30 H30 Cd N4 O7	P -1	8.9887; 10.5199; 17.3822 79.35; 76.852; 67.523	1470.22	Chi, Jie; Mu, Yajun; Li, Yan; Shao, Pengpeng; Liu, Guocheng; Cai, Bin; Xu, Na; Chen, Yongqiang Polytorsional-amide/carboxylates-directed Cd(ii) coordination polymers exhibiting multi-functional sensing behaviors RSC Advances, 2021, 11, 31756-31765
7243628	CIF	C18 H22 N O10.5	P -1	11.287; 11.583; 15.893 74.88; 86.45; 66.47	1837	Le , Anh T.; Tran, Thanh Van Thi; Le, Duan T.; Gomila, Rosa Maria; Frontera, Antonio; Zubkov, Fedor Ivanovich Synthesis, X-ray characterization and theoretical study of all-cis 1,4:2,3:5,8:6,7-tetraepoxynaphthalenes: on the importance of through-space α-effect CrystEngComm, 2021
7243629	CIF	C16 H16 O9	P 1 21/n 1	9.4396; 11.62; 13.907 90; 91.59; 90	1524.8	Le , Anh T.; Tran, Thanh Van Thi; Le, Duan T.; Gomila, Rosa Maria; Frontera, Antonio; Zubkov, Fedor Ivanovich Synthesis, X-ray characterization and theoretical study of all-cis 1,4:2,3:5,8:6,7-tetraepoxynaphthalenes: on the importance of through-space α-effect CrystEngComm, 2021
7243630	CIF	C16 H16 O10 S	P 1 21/c 1	8.4936; 16.17; 11.847 90; 109.38; 90	1534.9	Le , Anh T.; Tran, Thanh Van Thi; Le, Duan T.; Gomila, Rosa Maria; Frontera, Antonio; Zubkov, Fedor Ivanovich Synthesis, X-ray characterization and theoretical study of all-cis 1,4:2,3:5,8:6,7-tetraepoxynaphthalenes: on the importance of through-space α-effect CrystEngComm, 2021
7243631	CIF	C55 H50 Br4 Cl6 N4 O4	P -1	10.6218; 11.3383; 12.3181 68.588; 88.724; 85.755	1377.31	Tominaga, Masahide; Shinkawa, Shoyo; Hyodo, Tadashi; Yamaguchi, Kentaro Dynamic behavior of macrocycle-based organic frameworks in single-crystal to single-crystal guest exchanges CrystEngComm, 2021, 23, 7039-7043
7243632	CIF	C60 H64 Br4 N4 O6	P -1	7.803; 11.554; 15.741 72.604; 89.478; 83.484	1345	Tominaga, Masahide; Shinkawa, Shoyo; Hyodo, Tadashi; Yamaguchi, Kentaro Dynamic behavior of macrocycle-based organic frameworks in single-crystal to single-crystal guest exchanges CrystEngComm, 2021, 23, 7039-7043
7243633	CIF	C68 H76 Br4 N4 O12	P -1	11.3807; 11.6442; 13.1925 83.978; 66.041; 86.807	1588.64	Tominaga, Masahide; Shinkawa, Shoyo; Hyodo, Tadashi; Yamaguchi, Kentaro Dynamic behavior of macrocycle-based organic frameworks in single-crystal to single-crystal guest exchanges CrystEngComm, 2021, 23, 7039-7043
7243634	CIF	C55 H51 Br4 Cl N4 O4	P -1	6.588; 14.1875; 15.2526 64.022; 82.732; 85.997	1271.11	Tominaga, Masahide; Shinkawa, Shoyo; Hyodo, Tadashi; Yamaguchi, Kentaro Dynamic behavior of macrocycle-based organic frameworks in single-crystal to single-crystal guest exchanges CrystEngComm, 2021, 23, 7039-7043
7243635	CIF	C56 H54 Br4 N4 O5	P -1	6.5928; 14.239; 15.231 63.995; 82.597; 85.988	1274.2	Tominaga, Masahide; Shinkawa, Shoyo; Hyodo, Tadashi; Yamaguchi, Kentaro Dynamic behavior of macrocycle-based organic frameworks in single-crystal to single-crystal guest exchanges CrystEngComm, 2021, 23, 7039-7043
7243636	CIF	C360 H312 Cu15 I19 N24 O48 S24	P 63/m	32.1757; 32.1757; 13.5257 90; 90; 120	12126.8	Hu, Chu-Xing; Xuan, Ya-Hui; Jiang, Zi-Hao; Lu, Tao; Yang, Jie; Yuan, Hui; Tian, You-Ping; Sun, Zheng-Guang; Jiang, Xuan-Feng Self-assembly of cuprous iodide cluster-based calix[4]resorcinarenes and photocatalytic properties CrystEngComm, 2021, 23, 7179-7185
7243637	CIF	C124 H110 Cu8 I8 N10 O16 S8	P 1 21/n 1	21.5046; 16.0447; 23.0476 90; 115.557; 90	7174.2	Hu, Chu-Xing; Xuan, Ya-Hui; Jiang, Zi-Hao; Lu, Tao; Yang, Jie; Yuan, Hui; Tian, You-Ping; Sun, Zheng-Guang; Jiang, Xuan-Feng Self-assembly of cuprous iodide cluster-based calix[4]resorcinarenes and photocatalytic properties CrystEngComm, 2021, 23, 7179-7185
7243638	CIF	C15 H15 Cu Fe N2 S2	P 1 21/c 1	18.1803; 9.4604; 9.0591 90; 99.762; 90	1535.54	Singh, Ayushi; Trivedi, Manoj; Kociok-Köhn, Gabriele; Singh, Ashish Kumar; Muddassir, Mohd.; Kumar, Abhinav Ferrocenyl thiazolidine-2-thione ornamented 1D coordination polymers derived from coinage metal halides and pseudohalides CrystEngComm, 2021, 23, 7794-7804
7243639	CIF	C15 H15 Ag Fe N2 S2	P 1 21/c 1	18.0463; 9.80453; 9.3793 90; 100.689; 90	1630.74	Singh, Ayushi; Trivedi, Manoj; Kociok-Köhn, Gabriele; Singh, Ashish Kumar; Muddassir, Mohd.; Kumar, Abhinav Ferrocenyl thiazolidine-2-thione ornamented 1D coordination polymers derived from coinage metal halides and pseudohalides CrystEngComm, 2021, 23, 7794-7804
7243640	CIF	C29 H31 Cl3 Cu2 Fe2 I2 N2 S4	P -1	5.9876; 17.204; 17.2608 89.062; 84.677; 87.989	1769.13	Singh, Ayushi; Trivedi, Manoj; Kociok-Köhn, Gabriele; Singh, Ashish Kumar; Muddassir, Mohd.; Kumar, Abhinav Ferrocenyl thiazolidine-2-thione ornamented 1D coordination polymers derived from coinage metal halides and pseudohalides CrystEngComm, 2021, 23, 7794-7804
7243641	CIF	C8 H41 Cu2 Mo7 N7 O31.5 V	P 1 21/n 1	9.8374; 13.8773; 14.1652 90; 93.26; 90	1930.65	Buvailo, Halyna I.; Makhankova, Valeriya G.; Kokozay, Vladimir N.; Omelchenko, Iryna V.; Shishkina, Svitlana V.; Bieńko, Alina; Pavliuk, Mariia V.; Shylin, Sergii I. Hybrid compound based on diethylenetriaminecopper(ii) cations and scarce V-monosubstituted β-octamolybdate as water oxidation catalyst RSC Advances, 2021, 11, 32119-32125
7243642	CIF	C19 H18 N2 O3 S	P -1	7.7587; 18.0168; 19.756 104.844; 98.14; 92.385	2633.8	Luo, Xiai; Zhao, Yu; Tao, Susu; Yang, Zhong-Tao; Luo, Hui; Yang, Weiguang A simple and efficient copper-catalyzed three-component reaction to synthesize (Z)-1,2-dihydro-2-iminoquinolines RSC Advances, 2021, 11, 31152-31158
7243643	CIF	C20 H23 N2 O4 S	C 1 2/c 1	33.074; 7.648; 16.25 90; 111.766; 90	3817	Luo, Xiai; Zhao, Yu; Tao, Susu; Yang, Zhong-Tao; Luo, Hui; Yang, Weiguang A simple and efficient copper-catalyzed three-component reaction to synthesize (Z)-1,2-dihydro-2-iminoquinolines RSC Advances, 2021, 11, 31152-31158
7243644	CIF	C19 H18 N2 O3 S	P 1 21/c 1	10.929; 10.763; 15.62 90; 109.953; 90	1727	Luo, Xiai; Zhao, Yu; Tao, Susu; Yang, Zhong-Tao; Luo, Hui; Yang, Weiguang A simple and efficient copper-catalyzed three-component reaction to synthesize (Z)-1,2-dihydro-2-iminoquinolines RSC Advances, 2021, 11, 31152-31158
7243645	CIF	C12 H21 Cl2 Fe N2 P	P 1 21/c 1	12.3959; 23.352; 11.4368 90; 95.28; 90	3296.6	Blahut, Jan; Benda, Ladislav; Lejeune, Arthur L.; Sanders, Kevin J.; Burcher, Benjamin; Jeanneau, Erwann; Proriol, David; Catita, Leonor; Breuil, Pierre-Alain R.; Quoineaud, Anne-Agathe; Pell, Andrew J.; Pintacuda, Guido Proton-detected fast-magic-angle spinning NMR of paramagnetic inorganic solids RSC Advances, 2021, 11, 29870-29876
7243646	CIF	C25 H33 Cl2 K N6 O3 Pt	P -1	7.4967; 10.2891; 20.1177 79.821; 87.171; 74.152	1469.28	Shigeta, Yasuhiro; Nanko, Ryota; Amemori, Shogo; Mizuno, Motohiro Coordination-based vapochromic behavior of a luminescent Pt(ii) complex with potassium ions RSC Advances, 2021, 11, 30046-30053
7243647	CIF	C15.25 H11.25 Cl2 K N3.75 O0.75 Pt	C 1 c 1	41.7895; 8.5044; 21.2104 90; 107.837; 90	7175.7	Shigeta, Yasuhiro; Nanko, Ryota; Amemori, Shogo; Mizuno, Motohiro Coordination-based vapochromic behavior of a luminescent Pt(ii) complex with potassium ions RSC Advances, 2021, 11, 30046-30053
7243648	CIF	C18 H12 Cl2 N2 O	P 1 21/c 1	14.8126; 11.5893; 18.701 90; 91.746; 90	3208.9	Orecchia, Patrizio; Petkova, Desislava Slavcheva; Goetz, Roland; Rominger, Frank; Hashmi, A. Stephen K.; Schaub, Thomas Pd-Catalysed Suzuki‒Miyaura cross-coupling of aryl chlorides at low catalyst loadings in water for the synthesis of industrially important fungicides Green Chemistry, 2021
7243649	CIF	C18 H12 F5 N3 O	P b c a	12.8826; 9.2515; 28.4963 90; 90; 90	3396.3	Orecchia, Patrizio; Petkova, Desislava Slavcheva; Goetz, Roland; Rominger, Frank; Hashmi, A. Stephen K.; Schaub, Thomas Pd-Catalysed Suzuki‒Miyaura cross-coupling of aryl chlorides at low catalyst loadings in water for the synthesis of industrially important fungicides Green Chemistry, 2021
7243650	CIF	C18 H12 Cl2 F3 N3 O	P 1 21/c 1	11.8929; 18.0476; 8.6239 90; 110.092; 90	1738.37	Orecchia, Patrizio; Petkova, Desislava Slavcheva; Goetz, Roland; Rominger, Frank; Hashmi, A. Stephen K.; Schaub, Thomas Pd-Catalysed Suzuki‒Miyaura cross-coupling of aryl chlorides at low catalyst loadings in water for the synthesis of industrially important fungicides Green Chemistry, 2021
7243651	CIF	C21 H23 N3	P 1 21/n 1	15.4459; 7.45856; 16.2431 90; 118.081; 90	1650.99	Wang, Lin-Xuan; Qiu, Bin; An, Xiao-De; Dong, Pei-Zhen; Liu, Rui-Bin; Xiao, Jian Organocatalytic cascade aldimine condensation/[1,6]-hydride transfer/Mannich-type cyclization: sustainable access to indole-2,3-fused diazocanes Green Chemistry, 2021, 23, 8181-8186
7243652	CIF	Fe2.667 O8 W1.333	P b c n	4.57964; 5.58662; 4.9692 90; 90; 90	127.136	Quarez, Éric; Espinosa-Angeles, Julio César; Crosnier, Olivier; Joubert, Olivier; Brousse, Thierry Revisiting the five-decade-old structure of the Fe2WO6 powder with incommensurate modulations CrystEngComm, 2021, 23, 7298-7304
7243653	CIF	C18 H19 Co N2 O9	P -1	9.8424; 9.9803; 10.836 95.012; 109.791; 107.971	930.5	Hu, Ji-Hong; Liu, Yuan-Chin; Chen, Jhy-Der Cobalt(ii) coordination polymers constructed from bis(N-pyrid-3-ylmethyl)adipoamide and polycarboxylic acids: reversible structural transformation upon proton delivery and removal CrystEngComm, 2021, 23, 7471-7478
7243654	CIF	C30 H38 Co N4 O8	P -1	10.4474; 12.2491; 13.1227 77.35; 76.486; 74.932	1554.1	Hu, Ji-Hong; Liu, Yuan-Chin; Chen, Jhy-Der Cobalt(ii) coordination polymers constructed from bis(N-pyrid-3-ylmethyl)adipoamide and polycarboxylic acids: reversible structural transformation upon proton delivery and removal CrystEngComm, 2021, 23, 7471-7478
7243655	CIF	C17 H18 Co N3 O6	P 1 21/c 1	10.4957; 10.1234; 16.807 90; 106.706; 90	1710.41	Hu, Ji-Hong; Liu, Yuan-Chin; Chen, Jhy-Der Cobalt(ii) coordination polymers constructed from bis(N-pyrid-3-ylmethyl)adipoamide and polycarboxylic acids: reversible structural transformation upon proton delivery and removal CrystEngComm, 2021, 23, 7471-7478
7243656	CIF	C36 H52 Co1.5 N6 O17	P -1	9.1047; 11.1545; 22.7393 99.678; 93.31; 106.073	2174.2	Hu, Ji-Hong; Liu, Yuan-Chin; Chen, Jhy-Der Cobalt(ii) coordination polymers constructed from bis(N-pyrid-3-ylmethyl)adipoamide and polycarboxylic acids: reversible structural transformation upon proton delivery and removal CrystEngComm, 2021, 23, 7471-7478
7243657	CIF	C124 H108 N4 Ni O8	P 42/n :2	22.271; 22.271; 12.529 90; 90; 90	6214.4	Chen, Chen; Li, Dan; Cao, Guanyue; Qin, Zhonghe; Xu, Yi; Liu, Xiujun; Li, Qizhao; Xie, Yongshu; Li, Chengjie Solvent-regulated biomorphs from the intense π,π-mediated assemblies of tetracenequinone fused porphyrin CrystEngComm, 2021, 23, 7565-7569
7243658	CIF	C140.3 H117.1 N4 Ni O8	P -4	20.4751; 20.4751; 13.4593 90; 90; 90	5642.5	Chen, Chen; Li, Dan; Cao, Guanyue; Qin, Zhonghe; Xu, Yi; Liu, Xiujun; Li, Qizhao; Xie, Yongshu; Li, Chengjie Solvent-regulated biomorphs from the intense π,π-mediated assemblies of tetracenequinone fused porphyrin CrystEngComm, 2021, 23, 7565-7569
7243659	CIF	C21 H23 N7 O2 S	P -1	7.3361; 11.8575; 12.8075 70.641; 78.588; 76.401	1012.86	Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K. Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids CrystEngComm, 2021, 23, 5994-6011
7243660	CIF	C28 H31 N7 O6 S	P 1 21/c 1	16.2967; 8.5063; 21.3502 90; 108.21; 90	2811.4	Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K. Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids CrystEngComm, 2021, 23, 5994-6011
7243661	CIF	C30 H35 N7 O7 S	P b c a	8.6083; 21.2446; 33.276 90; 90; 90	6085.5	Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K. Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids CrystEngComm, 2021, 23, 5994-6011
7243662	CIF	C29 H33 N7 O6 S	C 1 2/c 1	36.464; 8.7361; 24.937 90; 132.658; 90	5842	Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K. Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids CrystEngComm, 2021, 23, 5994-6011
7243663	CIF	C29 H35 N7 O8 S	P 1 21/c 1	16.4349; 8.4148; 22.4426 90; 103.464; 90	3018.4	Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K. Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids CrystEngComm, 2021, 23, 5994-6011
7243664	CIF	C32 H34 N8 O6 S	P 1 21/c 1	16.0673; 8.5659; 23.125 90; 106.194; 90	3056.4	Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K. Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids CrystEngComm, 2021, 23, 5994-6011
7243665	CIF	C28 H29 N7 O6 S	P -1	8.687; 10.446; 16.411 77.708; 77.031; 74.897	1382.1	Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K. Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids CrystEngComm, 2021, 23, 5994-6011
7243666	CIF	C28 H37 N7 O10 S	P -1	7.499; 14.142; 15.071 77.4; 77.647; 86.005	1523.2	Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K. Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids CrystEngComm, 2021, 23, 5994-6011
7243667	CIF	C28 H29 N7 O6 S	P 1 21/c 1	8.5756; 22.7659; 14.185 90; 90.794; 90	2769.09	Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K. Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids CrystEngComm, 2021, 23, 5994-6011
7243668	CIF	C25 H31 N7 O3 S	P -1	11.358; 14.023; 16.34 105.473; 91.683; 97.049	2484	Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K. Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids CrystEngComm, 2021, 23, 5994-6011
7243669	CIF	C22 H28 Cd N2 O5	P n m a	14.727; 23.437; 5.987 90; 90; 90	2066.5	Soltani, Sajjad; Akhbari, Kamran; White, Jonathan Effect of structural features on the stability and bactericidal potential of two cadmium coordination polymers CrystEngComm, 2021, 23, 7450-7461
7243670	CIF	C20 H18 Cd N2 O4	P -1	9.306; 10.76; 10.904 114.49; 104.24; 103.92	887.5	Soltani, Sajjad; Akhbari, Kamran; White, Jonathan Effect of structural features on the stability and bactericidal potential of two cadmium coordination polymers CrystEngComm, 2021, 23, 7450-7461
7243671	CIF	C30 H31 Cl N6 O5 S	P 1 21 1	13.247; 7.6192; 15.469 90; 92.42; 90	1559.9	Gundlapalli, Suman; Devarapalli, Ramesh; Mudda, Ramesh Reddy; Chennuru, Ramanaiah; Rupakula, Ravichandrababu Novel solid forms of insomnia drug suvorexant with improved solubility and dissolution: accessing salts from a salt solvate route CrystEngComm, 2021, 23, 7739-7749
7243672	CIF	C22 H28 Cd N2 O5	P n m a	14.727; 23.437; 5.987 90; 90; 90	2066.5	Gundlapalli, Suman; Devarapalli, Ramesh; Mudda, Ramesh Reddy; Chennuru, Ramanaiah; Rupakula, Ravichandrababu Novel solid forms of insomnia drug suvorexant with improved solubility and dissolution: accessing salts from a salt solvate route CrystEngComm, 2021, 23, 7739-7749
7243673	CIF	C20 H18 Cd N2 O4	P -1	9.306; 10.76; 10.904 114.49; 104.24; 103.92	887.5	Gundlapalli, Suman; Devarapalli, Ramesh; Mudda, Ramesh Reddy; Chennuru, Ramanaiah; Rupakula, Ravichandrababu Novel solid forms of insomnia drug suvorexant with improved solubility and dissolution: accessing salts from a salt solvate route CrystEngComm, 2021, 23, 7739-7749
7243674	CIF	C29 H29 Cl N6 O5 S	P 1 c 1	15.4711; 7.0655; 13.0349 90; 104.993; 90	1376.4	Gundlapalli, Suman; Devarapalli, Ramesh; Mudda, Ramesh Reddy; Chennuru, Ramanaiah; Rupakula, Ravichandrababu Novel solid forms of insomnia drug suvorexant with improved solubility and dissolution: accessing salts from a salt solvate route CrystEngComm, 2021, 23, 7739-7749
7243675	CIF	C31 H35 Cl N6 O6 S	P 1 21 1	14.5891; 7.5159; 15.6522 90; 113.725; 90	1571.22	Gundlapalli, Suman; Devarapalli, Ramesh; Mudda, Ramesh Reddy; Chennuru, Ramanaiah; Rupakula, Ravichandrababu Novel solid forms of insomnia drug suvorexant with improved solubility and dissolution: accessing salts from a salt solvate route CrystEngComm, 2021, 23, 7739-7749
7243676	CIF	C17 H13 N3 O10 U2	P -1	8.175; 11.225; 12.1741 76.648; 86.085; 70.908	1027.13	Thuéry, Pierre; Harrowfield, Jack Uranyl ion complexes with 2,2′:6′,2′′-terpyridine-4′-carboxylate. Interpenetration of networks involving “expanded ligands” CrystEngComm, 2021, 23, 7305-7313
7243677	CIF	C18 H17 N3 O11 Pb U	P -1	10.4295; 10.5028; 11.5621 63.375; 74.261; 80.69	1088.56	Thuéry, Pierre; Harrowfield, Jack Uranyl ion complexes with 2,2′:6′,2′′-terpyridine-4′-carboxylate. Interpenetration of networks involving “expanded ligands” CrystEngComm, 2021, 23, 7305-7313
7243678	CIF	C32 H26 N7 Ni O12.5 U	P 1 21/n 1	8.7682; 16.9333; 28.1757 90; 98.6612; 90	4135.67	Thuéry, Pierre; Harrowfield, Jack Uranyl ion complexes with 2,2′:6′,2′′-terpyridine-4′-carboxylate. Interpenetration of networks involving “expanded ligands” CrystEngComm, 2021, 23, 7305-7313
7243679	CIF	C64 H60 N14 Ni2 O29 U2	P 41	18.5799; 18.5799; 42.3462 90; 90; 90	14618.4	Thuéry, Pierre; Harrowfield, Jack Uranyl ion complexes with 2,2′:6′,2′′-terpyridine-4′-carboxylate. Interpenetration of networks involving “expanded ligands” CrystEngComm, 2021, 23, 7305-7313
7243680	CIF	C160 H176 Ag8 O12 Pt4 S16	C 1 2/c 1	12.125; 26.995; 21.902 90; 90.493; 90	7169	Cheng, Xinglian; Sui, Xin; Xu, Jiayu; Liu, Xu; Chen, Mingyang; Zhu, Yan On the photocatalysis evolution of heteroatom-doped Ag4M2 nanoclusters RSC Advances, 2021, 11, 32526-32532
7243681	CIF	C21 H25 N5 O2 S	P 1 21/n 1	9.2609; 24.972; 9.6398 90; 109.03; 90	2107.5	Zhao, Chenyang; Li, Wanya; Li, Zhonghua; Hu, Weiguo; Zhang, Suoqing; Wu, Songgu Preparation and solid-state characterization of dapsone pharmaceutical cocrystals through the supramolecular synthon strategy CrystEngComm, 2021, 23, 6690-6702
7243682	CIF	C33 H37 N7 O4 S2	P 1 21/n 1	5.7687; 7.8235; 35.517 90; 91.67; 90	1602.3	Zhao, Chenyang; Li, Wanya; Li, Zhonghua; Hu, Weiguo; Zhang, Suoqing; Wu, Songgu Preparation and solid-state characterization of dapsone pharmaceutical cocrystals through the supramolecular synthon strategy CrystEngComm, 2021, 23, 6690-6702
7243683	CIF	C10 H20 Br3 Na O5 Pb	P n m a	7.8228; 13.8222; 16.4334 90; 90; 90	1776.92	Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature CrystEngComm, 2021, 23, 7787-7793
7243684	CIF	C10 H20 Br3 Na O5 Pb	P n m a	7.8558; 13.8616; 16.5205 90; 90; 90	1798.98	Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature CrystEngComm, 2021, 23, 7787-7793
7243685	CIF	C10 H20 Br3 Na O5 Pb	P n m a	7.9139; 13.9195; 16.6734 90; 90; 90	1836.7	Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature CrystEngComm, 2021, 23, 7787-7793
7243686	CIF	C10 H20 Br3 Na O5 Pb	P n m a	7.9357; 13.9514; 16.7733 90; 90; 90	1857.04	Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature CrystEngComm, 2021, 23, 7787-7793
7243687	CIF	C10 H20 Br3 Na O5 Pb	P n m a	7.9192; 13.9256; 16.7036 90; 90; 90	1842.07	Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature CrystEngComm, 2021, 23, 7787-7793
7243688	CIF	C10 H20 Br3 Na O5 Pb	P n m a	7.9171; 13.9272; 16.6694 90; 90; 90	1838.02	Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature CrystEngComm, 2021, 23, 7787-7793
7243689	CIF	C10 H20 Br3 Na O5 Pb	P n m a	7.8962; 13.9023; 16.6281 90; 90; 90	1825.36	Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature CrystEngComm, 2021, 23, 7787-7793
7243690	CIF	C10 H20 Br3 Na O5 Pb	P n m a	7.8377; 13.8396; 16.4718 90; 90; 90	1786.71	Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature CrystEngComm, 2021, 23, 7787-7793
7243691	CIF	C10 H20 Br3 Na O5 Pb	P n m a	7.8755; 13.8822; 16.5729 90; 90; 90	1811.9	Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature CrystEngComm, 2021, 23, 7787-7793
7243692	CIF	C19 H19 N2 O8 Pb2	P 1 2/c 1	13.6568; 4.4427; 18.6786 90; 101.195; 90	1111.72	Peedikakkal, Abdul Malik P.; Jalilov, Almaz S.; Shaikh, Abdul Rajjak; Kalanthoden, Abdul Nasar; Al-Saadi, Abdulaziz A. Blue- and white-light-emitting 2D-coordination polymers and their solid-state photodimerization reaction CrystEngComm, 2021, 23, 7663-7670
7243693	CIF	C28 H24 N4 O8 Pb2	P 1 2/c 1	18.508; 4.0982; 18.984 90; 96.68; 90	1430.2	Peedikakkal, Abdul Malik P.; Jalilov, Almaz S.; Shaikh, Abdul Rajjak; Kalanthoden, Abdul Nasar; Al-Saadi, Abdulaziz A. Blue- and white-light-emitting 2D-coordination polymers and their solid-state photodimerization reaction CrystEngComm, 2021, 23, 7663-7670
7243694	CIF	C57 H67 Cu2 N11 O21	P 1 21/c 1	21.4117; 11.5851; 25.3771 90; 103.588; 90	6118.8	Malaza, Siphelele S. P.; Mehlana, Gift; Cheung, Ocean; Hunter, Roger; Makhubela, Banothile C. E. Crystalline Cu(ii) metal–organic frameworks based on a carboxamide pincer ligand and an NCONCON–Pd(ii) pincer complex CrystEngComm, 2021, 23, 7418-7424
7243695	CIF	C50 H40 Cu2 N8 O16 Pd2	C 1 c 1	19.6662; 20.9151; 18.3648 90; 117.44; 90	6703.97	Malaza, Siphelele S. P.; Mehlana, Gift; Cheung, Ocean; Hunter, Roger; Makhubela, Banothile C. E. Crystalline Cu(ii) metal–organic frameworks based on a carboxamide pincer ligand and an NCONCON–Pd(ii) pincer complex CrystEngComm, 2021, 23, 7418-7424
7243696	CIF	C8 H8 O2 Te0.5	I 41/a :2	15.9927; 15.9927; 12.1188 90; 90; 90	3099.58	Shibuya, Yuga; Toyoda, Anna; Ohmura, Shiori; Higashikawa, Go; Koguchi, Shinichi One-pot synthesis, structural analysis, and oxidation applications of a series of diaryltellurium dicarboxylates RSC Advances, 2021, 11, 32837-32840
7243697	CIF	C8 H7 F O2 Te0.5	I 41	16.7448; 16.7448; 11.7851 90; 90; 90	3304.4	Shibuya, Yuga; Toyoda, Anna; Ohmura, Shiori; Higashikawa, Go; Koguchi, Shinichi One-pot synthesis, structural analysis, and oxidation applications of a series of diaryltellurium dicarboxylates RSC Advances, 2021, 11, 32837-32840
7243698	CIF	C22 H28 O4 Te	P -1	9.5423; 11.037; 11.4973 115.288; 104.367; 91.682	1047.86	Shibuya, Yuga; Toyoda, Anna; Ohmura, Shiori; Higashikawa, Go; Koguchi, Shinichi One-pot synthesis, structural analysis, and oxidation applications of a series of diaryltellurium dicarboxylates RSC Advances, 2021, 11, 32837-32840
7243699	CIF	C22 H22 F6 O4 Te	P -1	9.6945; 11.7224; 11.8645 116.648; 106.361; 90.992	1139.96	Shibuya, Yuga; Toyoda, Anna; Ohmura, Shiori; Higashikawa, Go; Koguchi, Shinichi One-pot synthesis, structural analysis, and oxidation applications of a series of diaryltellurium dicarboxylates RSC Advances, 2021, 11, 32837-32840
7243700	CIF	C16 H10 F6 O4 Te	P 1 c 1	19.5971; 10.3078; 19.7804 90; 117.086; 90	3557.5	Shibuya, Yuga; Toyoda, Anna; Ohmura, Shiori; Higashikawa, Go; Koguchi, Shinichi One-pot synthesis, structural analysis, and oxidation applications of a series of diaryltellurium dicarboxylates RSC Advances, 2021, 11, 32837-32840
7243701	CIF	C18 H20 O6 Te	P 1 21/c 1	9.4353; 11.8064; 16.9075 90; 101.416; 90	1846.18	Shibuya, Yuga; Toyoda, Anna; Ohmura, Shiori; Higashikawa, Go; Koguchi, Shinichi One-pot synthesis, structural analysis, and oxidation applications of a series of diaryltellurium dicarboxylates RSC Advances, 2021, 11, 32837-32840
7243702	CIF	C40 H32 O4 Te	C 1 2 1	28.4494; 11.2159; 20.254 90; 103.136; 90	6293.65	Shibuya, Yuga; Toyoda, Anna; Ohmura, Shiori; Higashikawa, Go; Koguchi, Shinichi One-pot synthesis, structural analysis, and oxidation applications of a series of diaryltellurium dicarboxylates RSC Advances, 2021, 11, 32837-32840
7243703	CIF	C23 H16 N3 O8 S4 Zn2	C 1 2/c 1	14.3455; 27.8054; 27.708 90; 90.205; 90	11052.2	Liang, Yu-Jie; Yao, Jun; Deng, Min; Liu, Yan-E.; Xu, Quan-Qing; Li, Qiu-Xia; Jing, Bi; Zhu, Ai-Xin; Huang, Bo A porous anionic zinc(ii) metal–organic framework for gas adsorption, selective uptake of dyes and sensing of Fe3+ by Tb3+ ion encapsulation CrystEngComm, 2021, 23, 7348-7357
7243704	CIF	C21 H19 N3 O S	P 21 21 21	7.2246; 11.8631; 20.815 90; 90; 90	1784	Duan, Xiu; Sun, Qi; Yuan, Xin; Qin, Long-Zhou; Zhang, Xin-Peng; Liu, Jie; Wu, Meng-Yu; Zhu, Shan-Shan; Ma, Can-Liang; Qiu, Jiang-Kai; Guo, Kai Photoinduced remote heteroaryl migration accompanied by cyanoalkylacylation in continuous flow Green Chemistry, 2021, 23, 8916-8921
7243705	CIF	C50 H108 Ce N9 O12 S2	C 1 c 1	16.1541; 18.0486; 23.7037 90; 91.155; 90	6909.62	Ying, Tingting; Tan, Yuhui; Tang, Yunzhi; Long, Xiao; Song, Ning; Li, Yukong; Sun, Zhen Multifunctional rare earth molecular ferroelectrics with a piezoelectric response: ((nBu)4N)3[Ce(NO3)4(SCN)2]((CH3CH2CH2CH2)4N = tetrabutylammonium) CrystEngComm, 2021, 23, 8104-8109
7243706	CIF	C116 H96 Cd5 N6 O30	P -1	8.9895; 11.5404; 33.0283 95.255; 96.857; 102.441	3297.64	Qiao, Yang; Li, Zeqi; Yu, Mei-Hui; Chang, Ze; Bu, Xian-He A metal–organic framework featuring highly sensitive fluorescence sensing for Al3+ ions CrystEngComm, 2021, 23, 8087-8092
7243707	CIF	C51 H51 Cl2 Ga P2 Ru	P -1	12.004; 13.159; 14.922 86.296; 87.495; 71.75	2233.2	García Ponce, Jorge; Díaz-Ramírez, Mariana L.; Gorla, Saidulu; Navarathna, Chanaka; Sanchez-Lecuona, Gabriela; Donnadieu, Bruno; Ibarra, Ilich A.; Montiel-Palma, Virginia SO2 capture enhancement in NU-1000 by the incorporation of a ruthenium gallate organometallic complex CrystEngComm, 2021, 23, 7479-7484
7243708	CIF	C39 H33 N3 O7	P -1	11.035; 11.907; 13.273 81.38; 70.064; 71.719	1554.9	Lombard, Jean; Laker, Heinrich; Prins, Francis; Wahl, Helene; le Roex, Tanya; Haynes, Delia A. Selectivity of hosts for guests by liquid-assisted grinding: differences between solution and mechanochemistry CrystEngComm, 2021, 23, 7380-7384
7243709	CIF	C39 H32 N2 O7	P -1	10.653; 11.153; 13.566 85.062; 74.512; 72.396	1480.5	Lombard, Jean; Laker, Heinrich; Prins, Francis; Wahl, Helene; le Roex, Tanya; Haynes, Delia A. Selectivity of hosts for guests by liquid-assisted grinding: differences between solution and mechanochemistry CrystEngComm, 2021, 23, 7380-7384
7243710	CIF	C38 H31 N3 O7	P -1	10.6989; 11.63; 13.421 82.162; 72.106; 72.058	1510.3	Lombard, Jean; Laker, Heinrich; Prins, Francis; Wahl, Helene; le Roex, Tanya; Haynes, Delia A. Selectivity of hosts for guests by liquid-assisted grinding: differences between solution and mechanochemistry CrystEngComm, 2021, 23, 7380-7384
7243711	CIF	C37 H30 N2 O7 S	P -1	10.554; 11.3682; 13.7388 84.165; 74.55; 72.852	1517.71	Lombard, Jean; Laker, Heinrich; Prins, Francis; Wahl, Helene; le Roex, Tanya; Haynes, Delia A. Selectivity of hosts for guests by liquid-assisted grinding: differences between solution and mechanochemistry CrystEngComm, 2021, 23, 7380-7384
7243712	CIF	C14 H20 Cl N3 O3 S	P 1 21/n 1	18.7914; 9.2921; 19.0621 90; 99.32; 90	3284.52	Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals CrystEngComm, 2021, 23, 7425-7441
7243713	CIF	C28 H38 Cl2 Cu N6 O6 S2	P -1	7.8247; 13.829; 15.156 78.981; 81.309; 85.041	1588.5	Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals CrystEngComm, 2021, 23, 7425-7441
7243714	CIF	C28 H38 Cl2 Cu N6 O6 S2	P -1	13.46; 15.2424; 18.1855 114.627; 93.362; 90.021	3384.5	Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals CrystEngComm, 2021, 23, 7425-7441
7243715	CIF	C28 H38 Cl2 Cu N6 O6 S2	R -3 :H	23.078; 23.078; 18.3291 90; 90; 120	8454.1	Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals CrystEngComm, 2021, 23, 7425-7441
7243716	CIF	C30 H42 Cl6 Cu N6 O6 S2	C 1 2/c 1	26.699; 9.8941; 15.6876 90; 104.75; 90	4007.5	Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals CrystEngComm, 2021, 23, 7425-7441
7243717	CIF	C34 H58 Cl2 Cu N6 O10 S2	P -1	8.497; 8.404; 16.31 83.113; 79.445; 67.366	1055.2	Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals CrystEngComm, 2021, 23, 7425-7441
7243718	CIF	C34 H58 Cl2 Cu N6 O10 S2	P -1	8.3107; 8.7469; 16.387 79.713; 87.099; 65.629	1067.3	Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals CrystEngComm, 2021, 23, 7425-7441
7243719	CIF	C30 H50 Cl2 Cu N6 O10 S2	P -1	7.7518; 8.0901; 16.3683 83.113; 78.821; 71.659	953.96	Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals CrystEngComm, 2021, 23, 7425-7441
7243720	CIF	C32 H54 Cl2 Cu N6 O10 S2	P -1	8.2195; 8.2439; 16.4822 85.598; 78.212; 68.273	1015.62	Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals CrystEngComm, 2021, 23, 7425-7441
7243721	CIF	C28 H40 Cl2 N6 O7 S2	C 1 2/c 1	14.5166; 9.3747; 24.7064 90; 100.965; 90	3300.9	Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals CrystEngComm, 2021, 23, 7425-7441
7243722	CIF	C152 H162 Ag36 F44 O30 Te	P -1	17.5326; 18.5686; 19.6507 65.24; 66.895; 69.537	5210.2	Hou, Lin-Lin; Li, Hong-Jing; Yu, Dong-Nan; Cheng, Xun; Yao, Zi-Xuan; Liu, Kuan-Guan; Yan, Xiao-Wei Mass spectrometry guided surface modification of a tellurate ion templated 36-nucleus silver alkynyl nanocluster CrystEngComm, 2021, 23, 7202-7205
7243723	CIF	C24 H8 Cl4 O2	P -1	3.8349; 8.8365; 13.2606 88.717; 89.773; 78.865	440.79	Liu, Ying-Hsuan; Dadvand, Afshin; Titi, Hatem M.; Hamzehpoor, Ehsan; Perepichka, Dmitrii F. Halogen bonding vs. π-stacking interactions in new bis(acenaphthylene)dione semiconductors CrystEngComm, 2021, 23, 8255-8259
7243724	CIF	C24 H12 O2	P 1 21/c 1	3.8029; 13.8237; 14.1694 90; 94.395; 90	742.7	Liu, Ying-Hsuan; Dadvand, Afshin; Titi, Hatem M.; Hamzehpoor, Ehsan; Perepichka, Dmitrii F. Halogen bonding vs. π-stacking interactions in new bis(acenaphthylene)dione semiconductors CrystEngComm, 2021, 23, 8255-8259
7243725	CIF	C24 H8 Br4 O2	P n a 21	31.7745; 3.8742; 15.4074 90; 90; 90	1896.66	Liu, Ying-Hsuan; Dadvand, Afshin; Titi, Hatem M.; Hamzehpoor, Ehsan; Perepichka, Dmitrii F. Halogen bonding vs. π-stacking interactions in new bis(acenaphthylene)dione semiconductors CrystEngComm, 2021, 23, 8255-8259
7243726	CIF	C45 H38 Br2 N7 O2 S0.5	P 1 21/c 1	15.8195; 4.6302; 26.812 90; 100.182; 90	1933	Islam, Md Faizul; Sindt, Ammon J.; Hossain, Muhammad Saddam; Ayare, Pooja J.; Smith, Mark D.; Vannucci, Aaron K.; Garashchuk, Sophya; Shimizu, Linda S. Assembled triphenylamine bis-urea macrocycles: Exploring photodriven electron transfer from host to guests. Physical Chemistry Chemical Physics, 2021
7243727	CIF	C43.88 H36.62 Br2 Cl0.62 N6 O2.62	P 1 21/c 1	15.782; 4.6143; 26.78 90; 100.354; 90	1918.4	Islam, Md Faizul; Sindt, Ammon J.; Hossain, Muhammad Saddam; Ayare, Pooja J.; Smith, Mark D.; Vannucci, Aaron K.; Garashchuk, Sophya; Shimizu, Linda S. Assembled triphenylamine bis-urea macrocycles: Exploring photodriven electron transfer from host to guests. Physical Chemistry Chemical Physics, 2021
7243728	CIF	C42 H36 Br2 I0.69 N6 O2	P 1 21/c 1	15.871; 4.6048; 26.839 90; 100.177; 90	1930.6	Islam, Md Faizul; Sindt, Ammon J.; Hossain, Muhammad Saddam; Ayare, Pooja J.; Smith, Mark D.; Vannucci, Aaron K.; Garashchuk, Sophya; Shimizu, Linda S. Assembled triphenylamine bis-urea macrocycles: Exploring photodriven electron transfer from host to guests. Physical Chemistry Chemical Physics, 2021