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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
7250003	CIF	C46 H40 B Cu F4 N6 O P2	P -1	11.9345; 13.5182; 13.6237 85.59; 82.487; 88.594	2172.4	Mou, Wen-Long; Fan, Si-Jie; Wang, Ying-Long; Wang, Guo; Hu, Fu-Zhen; Guo, Gui-Xiong; Han, Hong-Liang; Xin, Xiu-Lan; Liu, Jian-Ming; Yang, Yu-Ping; Li, Zhong-Feng; Jin, Qiong-Hua Synthesis, characterization, and green to orange luminescence properties of copper(i) complexes with 3-bdppmapy ligand-containing phenanthroline and its derivatives CrystEngComm, 2025, 27, 2086-2100
7250004	CIF	C88 H72 Cu2 F6 N8 O6 P4 S2	P 1 21/c 1	20.228; 21.227; 19.952 90; 99.407; 90	8451.8	Mou, Wen-Long; Fan, Si-Jie; Wang, Ying-Long; Wang, Guo; Hu, Fu-Zhen; Guo, Gui-Xiong; Han, Hong-Liang; Xin, Xiu-Lan; Liu, Jian-Ming; Yang, Yu-Ping; Li, Zhong-Feng; Jin, Qiong-Hua Synthesis, characterization, and green to orange luminescence properties of copper(i) complexes with 3-bdppmapy ligand-containing phenanthroline and its derivatives CrystEngComm, 2025, 27, 2086-2100
7250005	CIF	C43 H36 Cu I N4 P2	P -1	11.51; 12.721; 14.1767 90.485; 104.934; 91.579	2004.6	Mou, Wen-Long; Fan, Si-Jie; Wang, Ying-Long; Wang, Guo; Hu, Fu-Zhen; Guo, Gui-Xiong; Han, Hong-Liang; Xin, Xiu-Lan; Liu, Jian-Ming; Yang, Yu-Ping; Li, Zhong-Feng; Jin, Qiong-Hua Synthesis, characterization, and green to orange luminescence properties of copper(i) complexes with 3-bdppmapy ligand-containing phenanthroline and its derivatives CrystEngComm, 2025, 27, 2086-2100
7250006	CIF	C47 H40 Cu F3 N6 O4 P2 S	P -1	11.9207; 13.9365; 13.9818 86.078; 82.12; 87.814	2294.5	Mou, Wen-Long; Fan, Si-Jie; Wang, Ying-Long; Wang, Guo; Hu, Fu-Zhen; Guo, Gui-Xiong; Han, Hong-Liang; Xin, Xiu-Lan; Liu, Jian-Ming; Yang, Yu-Ping; Li, Zhong-Feng; Jin, Qiong-Hua Synthesis, characterization, and green to orange luminescence properties of copper(i) complexes with 3-bdppmapy ligand-containing phenanthroline and its derivatives CrystEngComm, 2025, 27, 2086-2100
7250007	CIF	C44 H40 Cl Cu N4 O5 P2	P -1	11.6848; 12.8101; 14.4714 88.363; 74.601; 88.134	2086.8	Mou, Wen-Long; Fan, Si-Jie; Wang, Ying-Long; Wang, Guo; Hu, Fu-Zhen; Guo, Gui-Xiong; Han, Hong-Liang; Xin, Xiu-Lan; Liu, Jian-Ming; Yang, Yu-Ping; Li, Zhong-Feng; Jin, Qiong-Hua Synthesis, characterization, and green to orange luminescence properties of copper(i) complexes with 3-bdppmapy ligand-containing phenanthroline and its derivatives CrystEngComm, 2025, 27, 2086-2100
7250008	CIF	C46 H40 Cl Cu N6 O5 P2	P -1	11.8666; 13.4149; 13.5834 85.487; 82.21; 88.53	2135.49	Mou, Wen-Long; Fan, Si-Jie; Wang, Ying-Long; Wang, Guo; Hu, Fu-Zhen; Guo, Gui-Xiong; Han, Hong-Liang; Xin, Xiu-Lan; Liu, Jian-Ming; Yang, Yu-Ping; Li, Zhong-Feng; Jin, Qiong-Hua Synthesis, characterization, and green to orange luminescence properties of copper(i) complexes with 3-bdppmapy ligand-containing phenanthroline and its derivatives CrystEngComm, 2025, 27, 2086-2100
7250009	CIF	C48 H48 Cu I N6 O3 P2	P 1 21/n 1	13.0654; 16.2881; 21.3823 90; 99.09; 90	4493.2	Mou, Wen-Long; Fan, Si-Jie; Wang, Ying-Long; Wang, Guo; Hu, Fu-Zhen; Guo, Gui-Xiong; Han, Hong-Liang; Xin, Xiu-Lan; Liu, Jian-Ming; Yang, Yu-Ping; Li, Zhong-Feng; Jin, Qiong-Hua Synthesis, characterization, and green to orange luminescence properties of copper(i) complexes with 3-bdppmapy ligand-containing phenanthroline and its derivatives CrystEngComm, 2025, 27, 2086-2100
7250010	CIF	C23 H27 F2 N3 O2	P -1	7.1699; 10.43; 15.039 80.809; 89.29; 78.757	1088.7	liu, Xiaohan; zhou, bin; Chen, Yan; lin, Jinyuan; shao, Chenwen; Chen, Liuzeng; Ruan, Banfeng; zhang, xingxing; Qian, Yong Design, synthesis of 2-phenyl-1H-benzo[d]imidazole derivatives as 17β-HSD10 inhibitor for the treatment of Alzheimer's Disease RSC Medicinal Chemistry, 2025
7250011	CIF	C16 H15 N3 O2	P 21 21 21	7.1923; 12.7507; 15.16 90; 90; 90	1390.3	liu, Xiaohan; zhou, bin; Chen, Yan; lin, Jinyuan; shao, Chenwen; Chen, Liuzeng; Ruan, Banfeng; zhang, xingxing; Qian, Yong Design, synthesis of 2-phenyl-1H-benzo[d]imidazole derivatives as 17β-HSD10 inhibitor for the treatment of Alzheimer's Disease RSC Medicinal Chemistry, 2025
7250012	CIF	C10 H13 N3 S	P 1 21/n 1	13.9025; 13.729; 15.9725 90; 98.472; 90	3015.4	Deb, Pran Kishore; Menon, Anila M.; PSR, Fathima Nida; Shruti, Ipsha; Nidal, Sara; Venugopala, Katharigatta N.; Chopra, Deepak Exploring intermolecular interactions and energetics in crystalline substituted thieno[2,3-d]pyrimidines CrystEngComm, 2025, 27, 2070-2085
7250013	CIF	C19 H21 N3 O S	P 1 21/c 1	14.1073; 13.0293; 9.4999 90; 94.478; 90	1740.8	Deb, Pran Kishore; Menon, Anila M.; PSR, Fathima Nida; Shruti, Ipsha; Nidal, Sara; Venugopala, Katharigatta N.; Chopra, Deepak Exploring intermolecular interactions and energetics in crystalline substituted thieno[2,3-d]pyrimidines CrystEngComm, 2025, 27, 2070-2085
7250014	CIF	C19 H20 F N3 O S	P c a 21	8.5839; 19.2383; 21.3179 90; 90; 90	3520.4	Deb, Pran Kishore; Menon, Anila M.; PSR, Fathima Nida; Shruti, Ipsha; Nidal, Sara; Venugopala, Katharigatta N.; Chopra, Deepak Exploring intermolecular interactions and energetics in crystalline substituted thieno[2,3-d]pyrimidines CrystEngComm, 2025, 27, 2070-2085
7250015	CIF	C9 H11 N3 S	P 1 21/c 1	8.2226; 7.7209; 14.3343 90; 94.293; 90	907.47	Deb, Pran Kishore; Menon, Anila M.; PSR, Fathima Nida; Shruti, Ipsha; Nidal, Sara; Venugopala, Katharigatta N.; Chopra, Deepak Exploring intermolecular interactions and energetics in crystalline substituted thieno[2,3-d]pyrimidines CrystEngComm, 2025, 27, 2070-2085
7250016	CIF	C15 H15 N3 S	P -1	7.776; 8.2126; 10.8516 86.364; 69.904; 88.495	649.49	Deb, Pran Kishore; Menon, Anila M.; PSR, Fathima Nida; Shruti, Ipsha; Nidal, Sara; Venugopala, Katharigatta N.; Chopra, Deepak Exploring intermolecular interactions and energetics in crystalline substituted thieno[2,3-d]pyrimidines CrystEngComm, 2025, 27, 2070-2085
7250017	CIF	C16 H17 N3 S	P 1 21/c 1	11.2278; 9.733; 13.8833 90; 110.469; 90	1421.38	Deb, Pran Kishore; Menon, Anila M.; PSR, Fathima Nida; Shruti, Ipsha; Nidal, Sara; Venugopala, Katharigatta N.; Chopra, Deepak Exploring intermolecular interactions and energetics in crystalline substituted thieno[2,3-d]pyrimidines CrystEngComm, 2025, 27, 2070-2085
7250018	CIF	C26 H21 N3 O4 S3	P 1 21/c 1	16.9149; 9.8296; 16.9361 90; 118.803; 90	2467.5	Deb, Pran Kishore; Menon, Anila M.; PSR, Fathima Nida; Shruti, Ipsha; Nidal, Sara; Venugopala, Katharigatta N.; Chopra, Deepak Exploring intermolecular interactions and energetics in crystalline substituted thieno[2,3-d]pyrimidines CrystEngComm, 2025, 27, 2070-2085
7250019	CIF	C11 H15 N3 S	P -1	16.8994; 17.1783; 17.8101 61.569; 79.57; 88.952	4457.8	Deb, Pran Kishore; Menon, Anila M.; PSR, Fathima Nida; Shruti, Ipsha; Nidal, Sara; Venugopala, Katharigatta N.; Chopra, Deepak Exploring intermolecular interactions and energetics in crystalline substituted thieno[2,3-d]pyrimidines CrystEngComm, 2025, 27, 2070-2085
7250020	CIF	C21 H15 N3 O4	P 1 21/c 1	8.8372; 26.8331; 7.5381 90; 94.605; 90	1781.74	Cao, Yue-Mei; He, Ying; Pei, Xin-Yue; Liang, Jia-Xing; Feng, Jing; Wang, Hong-Yan; Bo, Qi-Bing Deferasirox HOF and its in situ metallization affording a new family of lanthanide coordination polymer-based MHOFs CrystEngComm, 2025, 27, 2175-2189
7250021	CIF	C126 H86 Ce2 N18 O25	P -1	17.3238; 18.1345; 18.2145 87.982; 83.51; 77.24	5544.8	Cao, Yue-Mei; He, Ying; Pei, Xin-Yue; Liang, Jia-Xing; Feng, Jing; Wang, Hong-Yan; Bo, Qi-Bing Deferasirox HOF and its in situ metallization affording a new family of lanthanide coordination polymer-based MHOFs CrystEngComm, 2025, 27, 2175-2189
7250022	CIF	C126 H86 Eu2 N18 O25	P -1	17.1864; 18.0738; 18.1622 87.955; 83.642; 77.387	5471.2	Cao, Yue-Mei; He, Ying; Pei, Xin-Yue; Liang, Jia-Xing; Feng, Jing; Wang, Hong-Yan; Bo, Qi-Bing Deferasirox HOF and its in situ metallization affording a new family of lanthanide coordination polymer-based MHOFs CrystEngComm, 2025, 27, 2175-2189
7250023	CIF	C126 H86 Gd2 N18 O25	P -1	17.1488; 18.0395; 18.1496 87.998; 83.599; 77.479	5446.6	Cao, Yue-Mei; He, Ying; Pei, Xin-Yue; Liang, Jia-Xing; Feng, Jing; Wang, Hong-Yan; Bo, Qi-Bing Deferasirox HOF and its in situ metallization affording a new family of lanthanide coordination polymer-based MHOFs CrystEngComm, 2025, 27, 2175-2189
7250024	CIF	C252 H174 N36 O51 Tb4	P -1	18.0208; 18.139; 35.215 82.461; 77.237; 88.009	11129.4	Cao, Yue-Mei; He, Ying; Pei, Xin-Yue; Liang, Jia-Xing; Feng, Jing; Wang, Hong-Yan; Bo, Qi-Bing Deferasirox HOF and its in situ metallization affording a new family of lanthanide coordination polymer-based MHOFs CrystEngComm, 2025, 27, 2175-2189
7250025	CIF	C31 H38 N2 O2	P 1 21 1	9.919; 18.6995; 14.2034 90; 91.711; 90	2633.28	Koryťáková, Adéla; Chatziadi, Argyro; Rohlíček, Jan; Zmeškalová, Eliška; Beránek, Josef; Šoóš, Miroslav Stability study and structural insights into cannabidiol cocrystals CrystEngComm, 2025, 27, 2154-2165
7250026	CIF	C26 H39 N O4	P 2 21 21	8.9467; 16.7061; 32.6593 90; 90; 90	4881.4	Koryťáková, Adéla; Chatziadi, Argyro; Rohlíček, Jan; Zmeškalová, Eliška; Beránek, Josef; Šoóš, Miroslav Stability study and structural insights into cannabidiol cocrystals CrystEngComm, 2025, 27, 2154-2165
7250027	CIF	C28 H45 N O5	P 21 21 21	20.0237; 17.0222; 8.20215 90; 90; 90	2795.68	Koryťáková, Adéla; Chatziadi, Argyro; Rohlíček, Jan; Zmeškalová, Eliška; Beránek, Josef; Šoóš, Miroslav Stability study and structural insights into cannabidiol cocrystals CrystEngComm, 2025, 27, 2154-2165
7250028	CIF	C39 H39 N O4	P 21 21 21	9.6215; 10.7098; 29.8886 90; 90; 90	3079.9	Recchia, Daniella L.; Barton, Benita; Hosten, Eric C. Extremely effective separations of pyridine/picoline mixtures through supramolecular chemistry strategies employing (4R,5R)-bis(diphenylhydroxymethyl)-2-spiro-1′-cyclohexane-1,3-dioxolane as the host compound CrystEngComm, 2025, 27, 1960-1976
7250029	CIF	C40 H41 N O4	P 1	9.3267; 9.9858; 18.1928 81.945; 78.493; 87.89	1643.9	Recchia, Daniella L.; Barton, Benita; Hosten, Eric C. Extremely effective separations of pyridine/picoline mixtures through supramolecular chemistry strategies employing (4R,5R)-bis(diphenylhydroxymethyl)-2-spiro-1′-cyclohexane-1,3-dioxolane as the host compound CrystEngComm, 2025, 27, 1960-1976
7250030	CIF	C40 H41 N O4	P 1 21 1	9.3884; 34.6497; 10.1379 90; 92.6305; 90	3294.4	Recchia, Daniella L.; Barton, Benita; Hosten, Eric C. Extremely effective separations of pyridine/picoline mixtures through supramolecular chemistry strategies employing (4R,5R)-bis(diphenylhydroxymethyl)-2-spiro-1′-cyclohexane-1,3-dioxolane as the host compound CrystEngComm, 2025, 27, 1960-1976
7250031	CIF	C40 H41 N O4	P 1	9.5704; 9.8658; 17.3649 97.408; 100.565; 90.588	1597.37	Recchia, Daniella L.; Barton, Benita; Hosten, Eric C. Extremely effective separations of pyridine/picoline mixtures through supramolecular chemistry strategies employing (4R,5R)-bis(diphenylhydroxymethyl)-2-spiro-1′-cyclohexane-1,3-dioxolane as the host compound CrystEngComm, 2025, 27, 1960-1976
7250032	CIF	C14 H14 F3 I3 N2 O2	P -1	8.5467; 9.5605; 13.016 93.461; 95.913; 111.472	978.93	Song, Lixing; Wei, Lijie; Liu, Chunling; Liu, Yiwei; Lian, Xiang Halogen-bonded cocrystallization of racetam pharmaceuticals and perfluorinated iodobenzenes CrystEngComm, 2025, 27, 2233-2240
7250033	CIF	C18 H13 F3 I3 N O3	P c a 21	28.0048; 4.8659; 15.7552 90; 90; 90	2146.9	Song, Lixing; Wei, Lijie; Liu, Chunling; Liu, Yiwei; Lian, Xiang Halogen-bonded cocrystallization of racetam pharmaceuticals and perfluorinated iodobenzenes CrystEngComm, 2025, 27, 2233-2240
7250034	CIF	C34 H28 F12 I6 N4 O4	P -1	8.8594; 10.1598; 12.808 92.855; 95.703; 99.376	1129.25	Song, Lixing; Wei, Lijie; Liu, Chunling; Liu, Yiwei; Lian, Xiang Halogen-bonded cocrystallization of racetam pharmaceuticals and perfluorinated iodobenzenes CrystEngComm, 2025, 27, 2233-2240
7250035	CIF	C20 H18 F4 I2 N2 O2	P 1 21/c 1	6.0245; 9.3655; 38.7258 90; 92.09; 90	2183.55	Song, Lixing; Wei, Lijie; Liu, Chunling; Liu, Yiwei; Lian, Xiang Halogen-bonded cocrystallization of racetam pharmaceuticals and perfluorinated iodobenzenes CrystEngComm, 2025, 27, 2233-2240
7250036	CIF	C71 H72 Br2 O10	C 1 2/c 1	11.1392; 25.2833; 22.6009 90; 103.461; 90	6190.4	Vinodh, Mickey; Abdeljaber, Nour O.; Alipour, Fatemeh H.; Al-Azemi, Talal F. Prism[n]arene-alkyl dibromide (n = 5, 6) synergy: molecular affinity in the solid state CrystEngComm, 2025, 27, 1873-1878
7250037	CIF	C102 H120 Br4 O12	C 1 2/c 1	38.7491; 10.4816; 23.9295 90; 107.054; 90	9291.7	Vinodh, Mickey; Abdeljaber, Nour O.; Alipour, Fatemeh H.; Al-Azemi, Talal F. Prism[n]arene-alkyl dibromide (n = 5, 6) synergy: molecular affinity in the solid state CrystEngComm, 2025, 27, 1873-1878
7250038	CIF	C73 H76 Br2 O10	C 1 c 1	11.3658; 25.1078; 22.8023 90; 104.364; 90	6303.7	Vinodh, Mickey; Abdeljaber, Nour O.; Alipour, Fatemeh H.; Al-Azemi, Talal F. Prism[n]arene-alkyl dibromide (n = 5, 6) synergy: molecular affinity in the solid state CrystEngComm, 2025, 27, 1873-1878
7250039	CIF	C106 H128 Br4 O12	C 1 2/c 1	39.404; 10.6754; 24.3659 90; 107.392; 90	9781	Vinodh, Mickey; Abdeljaber, Nour O.; Alipour, Fatemeh H.; Al-Azemi, Talal F. Prism[n]arene-alkyl dibromide (n = 5, 6) synergy: molecular affinity in the solid state CrystEngComm, 2025, 27, 1873-1878
7250040	CIF	C38 H34 B2 N4 O4	P -1	6.795; 10.755; 13.064 75.068; 77.367; 87.642	900	Sujilkumar, Suvarna; Hariharan, Mahesh Harnessing Luminescence from Heavy Atom-Free Organic Charge Transfer Cocrystal Physical Chemistry Chemical Physics, 2024
7250041	CIF	C28 H32 B2 O4	P 1 21/n 1	10.5742; 10.9869; 11.2991 90; 102.084; 90	1283.62	Sujilkumar, Suvarna; Hariharan, Mahesh Harnessing Luminescence from Heavy Atom-Free Organic Charge Transfer Cocrystal Physical Chemistry Chemical Physics, 2024
7250042	CIF	C13 H13 N6 O3	P 1 21/n 1	8.0047; 21.1874; 8.0296 90; 104.314; 90	1319.53	Kamel, Monica G.; Sroor, Farid M.; Mahmoud, Khaled; Shafey, Heba I.; Hassaneen, Hamdi M.; Vendier, Laure Utility of 6-aza-2-thiothymine in the synthesis of novel [1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one derivatives: synthesis, structure elucidation, molecular docking and in vitro anti-lung cancer activity RSC Advances, 2025, 15, 6015-6031
7250043	CIF	C18 H20 N4 O5 Zn	P -1	9.037; 10.049; 10.795 80.44; 78.53; 79.74	936.7	Heydari, Neda; Bikas, Rahman; Lis, Tadeusz Chemical CO2 fixation by a heterogenised Zn(ii)-hydrazone complex RSC Advances, 2025, 15, 5977-5988
7250044	CIF	C98 H90 N16 O17 Zn4	P 1 21/c 1	17.9836; 17.9846; 14.155 90; 97.572; 90	4538.2	Zhao, Fang-Hua; Li, Yu-Shuo; Li, Shu-Qi; Wu, Xiao-Hong; He, Yuan-Chun; Li, Zhong-Lin A stable two-fold interpenetrated 3D Zn(ii) MOF for fluorescence sensing of uric acid and tryptophan CrystEngComm, 2025, 27, 2223-2232
7250045	CIF	C12 H17 N O5	P b c a	10.2107; 10.7746; 22.5314 90; 90; 90	2478.8	Wang, Zhenyuan; Wang, Mi; Tao, Qingsheng; Li, Yufei; Wang, Hao; Zhang, Mei; Liu, Xueli; Zhang, Jiaheng Betaine–salicylic acid cocrystal for enhanced skincare and acne treatment RSC Medicinal Chemistry, 2025
7250046	CIF	C70.2 H68.2 Cl6.6 N15 O4	P -1	14.2295; 15.4768; 17.3417 70.136; 79.294; 85.33	3528.67	Yang, Tian-Shu; Duan, Xiao-Fang; Yin, Fan; Cai, Li-Xuan; Zhou, Li-Peng; Hu, Shao-Jun; Guo, Xiao-Qing; Sun, Qing-Fu Guest-adaptive hydrogen-bonded dimerization of a C3-symmetric tribenzotriquinacene molecular bowl CrystEngComm, 2025, 27, 2025-2032
7250047	CIF	C146.2 H163.2 Cl21.6 N30 O6	R -3 :H	22.8874; 22.8874; 57.2 90; 90; 120	25949	Yang, Tian-Shu; Duan, Xiao-Fang; Yin, Fan; Cai, Li-Xuan; Zhou, Li-Peng; Hu, Shao-Jun; Guo, Xiao-Qing; Sun, Qing-Fu Guest-adaptive hydrogen-bonded dimerization of a C3-symmetric tribenzotriquinacene molecular bowl CrystEngComm, 2025, 27, 2025-2032
7250048	CIF	C155 H160 Cl6 N30 O8	P -1	14.3812; 15.4937; 17.2333 71.658; 79.5378; 82.7903	3574.58	Yang, Tian-Shu; Duan, Xiao-Fang; Yin, Fan; Cai, Li-Xuan; Zhou, Li-Peng; Hu, Shao-Jun; Guo, Xiao-Qing; Sun, Qing-Fu Guest-adaptive hydrogen-bonded dimerization of a C3-symmetric tribenzotriquinacene molecular bowl CrystEngComm, 2025, 27, 2025-2032
7250049	CIF	C145 H151 Cl9 N30 O8	P -1	14.8347; 15.5615; 16.9145 72.925; 81.228; 82.651	3674.6	Yang, Tian-Shu; Duan, Xiao-Fang; Yin, Fan; Cai, Li-Xuan; Zhou, Li-Peng; Hu, Shao-Jun; Guo, Xiao-Qing; Sun, Qing-Fu Guest-adaptive hydrogen-bonded dimerization of a C3-symmetric tribenzotriquinacene molecular bowl CrystEngComm, 2025, 27, 2025-2032
7250050	CIF	C83 H89 N15 O4	P -1	14.6409; 15.4829; 17.0956 71.798; 80.271; 79.849	3596.8	Yang, Tian-Shu; Duan, Xiao-Fang; Yin, Fan; Cai, Li-Xuan; Zhou, Li-Peng; Hu, Shao-Jun; Guo, Xiao-Qing; Sun, Qing-Fu Guest-adaptive hydrogen-bonded dimerization of a C3-symmetric tribenzotriquinacene molecular bowl CrystEngComm, 2025, 27, 2025-2032
7250051	CIF	C150.98 H158.98 Cl3 N30 O8	P -1	14.7305; 15.2894; 17.0209 72.734; 80.346; 79.345	3571.5	Yang, Tian-Shu; Duan, Xiao-Fang; Yin, Fan; Cai, Li-Xuan; Zhou, Li-Peng; Hu, Shao-Jun; Guo, Xiao-Qing; Sun, Qing-Fu Guest-adaptive hydrogen-bonded dimerization of a C3-symmetric tribenzotriquinacene molecular bowl CrystEngComm, 2025, 27, 2025-2032
7250052	CIF	C18 H16 O4	P -1	7.4833; 8.3504; 13.117 87.703; 79.96; 63.498	721.64	Li, Jiayuan; Zhang, Zeyu; Yi, Yaping; Xi, Chanjuan Visible-light-induced photoredox-catalyzed dearomative dicarboxylation of arenes using formate and CO2 Green Chemistry, 2025, 27, 3443-3450
7250053	CIF	C7 H5 O2	P c c n	5.56956; 10.83565; 18.2517 90; 90; 90	1101.49	Li, Jiayuan; Zhang, Zeyu; Yi, Yaping; Xi, Chanjuan Visible-light-induced photoredox-catalyzed dearomative dicarboxylation of arenes using formate and CO2 Green Chemistry, 2025, 27, 3443-3450
7250054	CIF	C14 H26 O2 P2	P -1	5.648; 7.599; 9.119 83.62; 86.36; 72.9	371.57	Łastawiecka, Elżbieta; Matysiak, Joanna; Stankevič, Marek; Kozioł, Anna; Dyk, Konrad; Kamiński, Daniel Michael Rationalization of thermal properties of some polycyclic organophosphorus compounds by structural and QSPR analyses Physical Chemistry Chemical Physics, 2025
7250055	CIF	C22 H38 O2 P2	P -1	5.615; 9.764; 10.341 92.98; 103.72; 101.25	537.3	Łastawiecka, Elżbieta; Matysiak, Joanna; Stankevič, Marek; Kozioł, Anna; Dyk, Konrad; Kamiński, Daniel Michael Rationalization of thermal properties of some polycyclic organophosphorus compounds by structural and QSPR analyses Physical Chemistry Chemical Physics, 2025
7250056	CIF	C20 H38 O2 P2	P 41 21 2	9.5497; 9.5497; 23.2662 90; 90; 90	2121.8	Łastawiecka, Elżbieta; Matysiak, Joanna; Stankevič, Marek; Kozioł, Anna; Dyk, Konrad; Kamiński, Daniel Michael Rationalization of thermal properties of some polycyclic organophosphorus compounds by structural and QSPR analyses Physical Chemistry Chemical Physics, 2025
7250057	CIF	C35 H38 Cl N5 O12	P 1 21/c 1	11.0457; 31.235; 11.3942 90; 117.679; 90	3481.3	Singh, Abhay Pratap; Baruah, Jubaraj B. Facts and reality of multi-component organic ionic-cocrystals of di-topic acid–base conjugates CrystEngComm, 2025, 27, 1701-1706
7250058	CIF	C38 H38 Cl F2 I N5 O12	P -1	8.8096; 11.2696; 21.1324 85.724; 81.896; 72.086	1975.3	Singh, Abhay Pratap; Baruah, Jubaraj B. Facts and reality of multi-component organic ionic-cocrystals of di-topic acid–base conjugates CrystEngComm, 2025, 27, 1701-1706
7250059	CIF	C36 H33 Cl F4 I2 N4 O6	P 1 21/n 1	13.111; 15.861; 18.599 90; 90.667; 90	3867	Singh, Abhay Pratap; Baruah, Jubaraj B. Facts and reality of multi-component organic ionic-cocrystals of di-topic acid–base conjugates CrystEngComm, 2025, 27, 1701-1706
7250060	CIF	C36 H24 Cd2 N4 O10	P -1	10.5962; 12.4166; 13.7105 91.12; 93.412; 113.928	1644	Li, Shaodong; Li, Mengzhao; Li, Jia; Zhang, Yang; Su, Feng; Ma, Longlong; Wang, Guangyan; Li, Xinlei; Wang, Zhijun Two pH-directed coordination polymers of cadmium isomers based on a semi-rigid polycarboxylic acid: crystal structure and fluorescence sensing of tetracyclines CrystEngComm, 2025, 27, 2354-2365
7250061	CIF	C36 H24 Cd2 N4 O10	P 1 21/c 1	7.155; 17.698; 26.296 90; 93.13; 90	3324.9	Li, Shaodong; Li, Mengzhao; Li, Jia; Zhang, Yang; Su, Feng; Ma, Longlong; Wang, Guangyan; Li, Xinlei; Wang, Zhijun Two pH-directed coordination polymers of cadmium isomers based on a semi-rigid polycarboxylic acid: crystal structure and fluorescence sensing of tetracyclines CrystEngComm, 2025, 27, 2354-2365
7250062	CIF	C17 H25 O2 S	P -1	7.1654; 10.1994; 11.9077 86.315; 76.45; 73.545	811.37	Huang, Wanhui; Liu, Ge; Yang, Fangyuanhang; Ren, Yuxi; Gao, Yuzhen; Su, Weiping CO2-Promoted photoredox-catalyzed hydrosulfonylation of alkenes with sulfinates Green Chemistry, 2025, 27, 3627-3633
7250063	CIF	C21 H30 O3 S	P 21 21 21	8.30717; 12.2319; 20.046 90; 90; 90	2036.92	Huang, Wanhui; Liu, Ge; Yang, Fangyuanhang; Ren, Yuxi; Gao, Yuzhen; Su, Weiping CO2-Promoted photoredox-catalyzed hydrosulfonylation of alkenes with sulfinates Green Chemistry, 2025, 27, 3627-3633
7250064	CIF	C43 H24 Cd2 F4 N6 O8	C 1 2/c 1	26.9074; 17.1592; 27.359 90; 96.183; 90	12558.4	Fang, Han; Han, Jia-Peng; Zhang, Bo; Liu, Deng-Bo; Li, Xing-Wang; Li, Jing-Yu; He, Yutong; Yu, Mei-Hui A versatile luminescent metal–organic framework for selective detection of Fe(iii) cations and Cr(vi) anions CrystEngComm, 2025, 27, 1139-1145
7250065	CIF	C22 H17 Cd N2 O10	P -1	7.5267; 11.4086; 13.3971 114.88; 91.182; 94.865	1037.85	Chen, Wei-Hao; Chen, Yen-Hsin; Thapa, Kedar Bahadur; Liu, Shih-Miao; Chen, Jhy-Der Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing CrystEngComm, 2025, 27, 606-615
7250066	CIF	C42 H34 N4 O22 Zn2	P -1	6.546; 12.633; 12.865 97.026; 95.24; 96.96	1042	Chen, Wei-Hao; Chen, Yen-Hsin; Thapa, Kedar Bahadur; Liu, Shih-Miao; Chen, Jhy-Der Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing CrystEngComm, 2025, 27, 606-615
7250067	CIF	C21 H17 Cd N2 O11	P -1	8.328; 10.399; 12.543 95.415; 97.524; 92.705	1070.1	Chen, Wei-Hao; Chen, Yen-Hsin; Thapa, Kedar Bahadur; Liu, Shih-Miao; Chen, Jhy-Der Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing CrystEngComm, 2025, 27, 606-615
7250068	CIF	C38 H22 Cd N4 O14	P -1	10.24; 12.29; 13.58 97.39; 99.45; 104.61	1605	Chen, Wei-Hao; Chen, Yen-Hsin; Thapa, Kedar Bahadur; Liu, Shih-Miao; Chen, Jhy-Der Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing CrystEngComm, 2025, 27, 606-615
7250069	CIF	C38 H18 Cd N4 O12	P -1	10.4465; 12.6964; 13.574 97.2892; 99.3233; 105.765	1681.84	Chen, Wei-Hao; Chen, Yen-Hsin; Thapa, Kedar Bahadur; Liu, Shih-Miao; Chen, Jhy-Der Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing CrystEngComm, 2025, 27, 606-615
7250070	CIF	C21 H17 N2 O11 Zn	P -1	8.103; 10.232; 12.72 97.593; 99.913; 91.322	1028.6	Chen, Wei-Hao; Chen, Yen-Hsin; Thapa, Kedar Bahadur; Liu, Shih-Miao; Chen, Jhy-Der Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing CrystEngComm, 2025, 27, 606-615
7250071	CIF	C21 H19 Cd N4 O7.5	P -1	10.1088; 10.4401; 11.9209 106.047; 94.16; 112.725	1092.2	Chen, Wei-Hao; Chen, Yen-Hsin; Thapa, Kedar Bahadur; Liu, Shih-Miao; Chen, Jhy-Der Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing CrystEngComm, 2025, 27, 606-615
7250072	CIF	C39 H19 N4 O14 Zn	P -1	10.256; 12.694; 13.59 97.295; 99.972; 105.313	1652.7	Chen, Wei-Hao; Chen, Yen-Hsin; Thapa, Kedar Bahadur; Liu, Shih-Miao; Chen, Jhy-Der Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing CrystEngComm, 2025, 27, 606-615
7250073	CIF	C15 H15 N O	P 1 21/n 1	7.33993; 8.41329; 19.687 90; 94.848; 90	1211.38	Sroor, Farid M.; Terme, Thierry; Vanelle, Patrice; Spitz, Cédric Three-step process for the synthesis of 10,11-dihydro-5H-dibenzo[b,f]azepin-10-ol derivatives RSC Advances, 2025, 15, 6737-6741
7250074	CIF	C17 H20 N2 O6 S	P 1 21/c 1	12.6709; 13.3145; 11.2685 90; 110.5; 90	1780.68	Yang, Qi-Liang; Xu, Rong-Yi; Ni, Cheng-Yang; Liu, Xin; Qiao, Zu-Lin; Zhang, Qi-Ying; Wang, Dong-Chao; Guo, Hai-Ming Electrochemical regioselective synthesis of sulfonyl 2,5-dihydrofuran-fused spiropyrimidines via multi-component radical cascade reactions Green Chemistry, 2025, 27, 1499-1509
7250075	CIF	C21 H19 F N2 O6 S	I 1 2/a 1	17.434; 11.5074; 20.8088 90; 102.322; 90	4078.5	Yang, Qi-Liang; Xu, Rong-Yi; Ni, Cheng-Yang; Liu, Xin; Qiao, Zu-Lin; Zhang, Qi-Ying; Wang, Dong-Chao; Guo, Hai-Ming Electrochemical regioselective synthesis of sulfonyl 2,5-dihydrofuran-fused spiropyrimidines via multi-component radical cascade reactions Green Chemistry, 2025, 27, 1499-1509
7250076	CIF	C21 H19 Br N2 O6 S	I 1 2/a 1	17.2458; 12.0306; 21.0605 90; 98.195; 90	4324.96	Yang, Qi-Liang; Xu, Rong-Yi; Ni, Cheng-Yang; Liu, Xin; Qiao, Zu-Lin; Zhang, Qi-Ying; Wang, Dong-Chao; Guo, Hai-Ming Electrochemical regioselective synthesis of sulfonyl 2,5-dihydrofuran-fused spiropyrimidines via multi-component radical cascade reactions Green Chemistry, 2025, 27, 1499-1509
7250077	CIF	C22 H22 N2 O6 S	P b c a	16.1273; 13.8387; 19.0079 90; 90; 90	4242.2	Yang, Qi-Liang; Xu, Rong-Yi; Ni, Cheng-Yang; Liu, Xin; Qiao, Zu-Lin; Zhang, Qi-Ying; Wang, Dong-Chao; Guo, Hai-Ming Electrochemical regioselective synthesis of sulfonyl 2,5-dihydrofuran-fused spiropyrimidines via multi-component radical cascade reactions Green Chemistry, 2025, 27, 1499-1509
7250078	CIF	C23 H21 Cl2 F3 N2 O6 S	P 1 21/n 1	16.0694; 9.9654; 17.9448 90; 113.464; 90	2636	Yang, Qi-Liang; Xu, Rong-Yi; Ni, Cheng-Yang; Liu, Xin; Qiao, Zu-Lin; Zhang, Qi-Ying; Wang, Dong-Chao; Guo, Hai-Ming Electrochemical regioselective synthesis of sulfonyl 2,5-dihydrofuran-fused spiropyrimidines via multi-component radical cascade reactions Green Chemistry, 2025, 27, 1499-1509
7250079	CIF	Mg4 Na O12 V3	I -4 2 d	6.8778; 6.8778; 19.2548 90; 90; 90	910.83	Wang, Xiaoming; Feng, Qiuyuan; Hou, Ketian; Wei, Wei; Lu, Juanjuan; Wei, Lai; Zhang, Feng Exploring quaternary vanadates containing alkali metals, alkaline earth metals, and [VO4] in the quest for nonlinear optical materials CrystEngComm, 2025, 27, 2101-2107
7250080	CIF	Li Mg4 O12 V3	I -4 2 d	6.8673; 6.8673; 18.968 90; 90; 90	894.53	Wang, Xiaoming; Feng, Qiuyuan; Hou, Ketian; Wei, Wei; Lu, Juanjuan; Wei, Lai; Zhang, Feng Exploring quaternary vanadates containing alkali metals, alkaline earth metals, and [VO4] in the quest for nonlinear optical materials CrystEngComm, 2025, 27, 2101-2107
7250081	CIF	C23 H21 Cd F6 N O5.5	P 1 2/n 1	7.5048; 12.3263; 26.274 90; 92.904; 90	2427.4	Balendra,; Ali, Mahboob; Sanyukta,; Murugavel, Sevi Effect of coordinated and lattice neutral co-ligands on the dielectric properties of cadmium and magnesium based coordination polymers CrystEngComm, 2025, 27, 2136-2147
7250082	CIF	C36 H43 Mg3 N O19 S2	C 1 2/c 1	25.095; 6.44; 28.376 90; 114.671; 90	4167	Balendra,; Ali, Mahboob; Sanyukta,; Murugavel, Sevi Effect of coordinated and lattice neutral co-ligands on the dielectric properties of cadmium and magnesium based coordination polymers CrystEngComm, 2025, 27, 2136-2147
7250083	CIF	C23 H26 N4 O9	P 1 2 1	12.4892; 5.1131; 18.7509 90; 90.473; 90	1197.36	Baptista, Rosa M. F.; Ayala, Alejandro P.; de Matos Gomes, Etelvina; Castro, M. Cidália R.; Machado, Ana V.; Belsley, Michael S. Second harmonic generation and crystal structure of a self-assembled Boc-p-nitro-l-phenylalanyl-p-nitro-l-phenylalanine dipeptide CrystEngComm, 2025, 27, 2195-2203
7250084	CIF	C8 H8 N10 O	P 1 21/n 1	3.616; 16.677; 17.954 90; 95.76; 90	1077.2	Liu, Lei; Huang, Wengzhe; Yuan, Ye; Lu, Lu; Tang, Yongxing; Huang, Wei Site-selective electrochemical synthesis of nitrogen-enriched bis-pyrazole derivatives: a sustainable approach for N–N versus NN bond formation Green Chemistry, 2025, 27, 3727-3732
7250085	CIF	C22 H22 N2 O6 S2	P 1 21/n 1	13.881; 11.8967; 14.0748 90; 110.825; 90	2172.44	Yang, Luyao; Ying, Jialuo; Zheng, Hao; Xu, Yuyan; Wu, Liping; Chen, Zhiwei Photo-promoted radical cascade cyclization of 4-(allylamino)-3-cyanocoumarins: access to sulfonylated pyrido[3,2-c]coumarin derivatives Green Chemistry, 2025, 27, 3524-3531
7250086	CIF	C42 H66 N6 O4 Si3	R -3 c :H	18.8889; 18.8889; 41.373 90; 90; 120	12784	Kulkarni, Akshay S.; Ramana, Sreenivasa Rao; Nuthakki, Vijay Kumar; Bhatt, Shipra; Jamwal, Ashiya; Nandawadekar, Laxman D.; Jotshi, Anshika; Kumar, Ajay; Nandi, Utpal; Bharate, Sandip Bibishan; Srinivasa Reddy, D. Silicon Incorporated Tacrine: Design, Synthesis, and Evaluation of Biological and Pharmacokinetic Parameters RSC Medicinal Chemistry, 2025
7250087	CIF	C30 H18 N6	P 1 21/c 1	14.0115; 7.1139; 24.401 90; 102.624; 90	2373.4	Nakada, Kazushi; Richards, Gary J.; Hori, Akiko Yellow and red polymorphic co-crystals of phenyl-substituted pyrazinacene and naphthalene via π-hole⋯π interactions CrystEngComm, 2025, 27, 2064-2069
7250088	CIF	C30 H18 N6	P 1 21/c 1	12.312; 7.042; 26.902 90; 98.74; 90	2305	Nakada, Kazushi; Richards, Gary J.; Hori, Akiko Yellow and red polymorphic co-crystals of phenyl-substituted pyrazinacene and naphthalene via π-hole⋯π interactions CrystEngComm, 2025, 27, 2064-2069
7250089	CIF	C20 H16 Br2 Fe2	P 1 21/n 1	9.4872; 7.4956; 12.2757 90; 104.888; 90	843.6	Horikoshi, Ryo; Inoue, Ryota; Sumitani, Ryo; Takahashi, Kazuyuki; Mochida, Tomoyuki Synthesis and structural characterization of the racemic and meso forms of 2,2′′-dibromo-1,1′′-biferrocenes and their mixed-valence salts CrystEngComm, 2025, 27, 2371-2381
7250090	CIF	C11 H8 Br Fe N	P 21 21 21	9.018; 10.319; 10.748 90; 90; 90	1000.2	Horikoshi, Ryo; Inoue, Ryota; Sumitani, Ryo; Takahashi, Kazuyuki; Mochida, Tomoyuki Synthesis and structural characterization of the racemic and meso forms of 2,2′′-dibromo-1,1′′-biferrocenes and their mixed-valence salts CrystEngComm, 2025, 27, 2371-2381
7250091	CIF	C20 H16 Br2 Fe2 I7	C 1 c 1	14.684; 11.6577; 18.755 90; 108.41; 90	3046.2	Horikoshi, Ryo; Inoue, Ryota; Sumitani, Ryo; Takahashi, Kazuyuki; Mochida, Tomoyuki Synthesis and structural characterization of the racemic and meso forms of 2,2′′-dibromo-1,1′′-biferrocenes and their mixed-valence salts CrystEngComm, 2025, 27, 2371-2381
7250092	CIF	C20 H16 Br2 Fe2	P b c a	13.194; 14.16; 18.352 90; 90; 90	3428.6	Horikoshi, Ryo; Inoue, Ryota; Sumitani, Ryo; Takahashi, Kazuyuki; Mochida, Tomoyuki Synthesis and structural characterization of the racemic and meso forms of 2,2′′-dibromo-1,1′′-biferrocenes and their mixed-valence salts CrystEngComm, 2025, 27, 2371-2381
7250093	CIF	C21 H23 N3 O2	P 1 21/n 1	17.9766; 5.7375; 18.7841 90; 93.907; 90	1932.9	Gabdulkhaev, Mukhammet N.; Simdyanova, Anastasia V.; Bolmatenkov, Dmitrii N.; Gubaidullin, Aidar T.; Mukhametzyanov, Timur A.; Ziganshin, Marat A.; Gorbatchuk, Valery V. New approach for preparation of metastable phenylbutazone polymorphs CrystEngComm, 2025, 27, 2490-2501
7250094	CIF	C19 H20 N2 O3	P 1 21/c 1	16.215; 5.9581; 17.4194 90; 92.782; 90	1680.92	Gabdulkhaev, Mukhammet N.; Simdyanova, Anastasia V.; Bolmatenkov, Dmitrii N.; Gubaidullin, Aidar T.; Mukhametzyanov, Timur A.; Ziganshin, Marat A.; Gorbatchuk, Valery V. New approach for preparation of metastable phenylbutazone polymorphs CrystEngComm, 2025, 27, 2490-2501
7250095	CIF	K Se2 Zn1.51	P 1 2/c 1	7.4586; 5.8956; 11.3644 90; 112.375; 90	462.1	Wang, Kuan-Lin; Lin, Cai-Fei; Cheng, Chin; Huang, Tzu-Chi; Lin, Bi-Hsuan; Xie, Yu-Lin; Wang, Bo-Yuan; Kung, Jennifer; Lin, Kuang-I; Hsu, Kuei-Fang Zinc selenide stabilized in a quadrilateral network characterized with optical emissions CrystEngComm, 2025, 27, 2483-2489
7250096	CIF	K Mg0.23 Se2 Zn1.28	P 1 2/c 1	7.462; 5.9687; 11.3465 90; 112.251; 90	467.724	Wang, Kuan-Lin; Lin, Cai-Fei; Cheng, Chin; Huang, Tzu-Chi; Lin, Bi-Hsuan; Xie, Yu-Lin; Wang, Bo-Yuan; Kung, Jennifer; Lin, Kuang-I; Hsu, Kuei-Fang Zinc selenide stabilized in a quadrilateral network characterized with optical emissions CrystEngComm, 2025, 27, 2483-2489
7250097	CIF	C6 H7 N2	P 1 21/c 1	9.6385; 7.4706; 7.7536 90; 95.69; 90	555.6	Zhao, Jiawei; Wang, Na; Zhou, Lina; Wang, Ting; Huang, Xin; Wang, Ailian; Zhang, Longgui; Hao, Hongxun Mechanistic study on the crystal habit of 3,3′-diaminobenzidine in the presence of solvents and additives CrystEngComm, 2025, 27, 2204-2222
7250098	CIF	C14 H18 Br6 Cd N2	C c c 2	7.9533; 33.455; 8.0313 90; 90; 90	2136.9	Zhang, Wanxu; Zheng, Yongzhuo; Liu, Mei; Wei, Wenqing; Wang, Juan; Guo, Fengwan Enhancement of intrinsic luminescence by Sb3+ doped (C7H9N)2CdBr6 with lone pair 5s2 electrons CrystEngComm, 2025, 27, 2841-2847
7250099	CIF	C14 H18 Br6 Cd N2	C c c 2	7.8589; 33.063; 7.9671 90; 90; 90	2070.2	Zhang, Wanxu; Zheng, Yongzhuo; Liu, Mei; Wei, Wenqing; Wang, Juan; Guo, Fengwan Enhancement of intrinsic luminescence by Sb3+ doped (C7H9N)2CdBr6 with lone pair 5s2 electrons CrystEngComm, 2025, 27, 2841-2847
7250100	CIF	C6 Hg2 K2 N6 S2	C m c m	4.2576; 19.0419; 9.1464 90; 90; 90	741.52	Jain, Aashna; Ghalsasi, Pallavi; Tothadi, Srinu; Garg, Nandini; Garg, Alka B.; Jha, Prafulla K.; Mande, Hemant; Ghalsasi, Prasanna S. Thermal and pressure response of KHg(CN)<sub>2</sub>(SCN). Physical chemistry chemical physics : PCCP, 2025
7250101	CIF	C10 H12 N2 O4	P 1 21/n 1	7.4675; 9.369; 14.5222 90; 92.911; 90	1014.71	Vance, Susanna S. M.; Chatzisymeon, Efthalia; Morrison, Carole A.; Love, Jason B. Recovering copper from e-waste: recyclable precipitation versus solvent extraction with carbon emission assessment Green Chemistry, 2025, 27, 3789-3804
7250102	CIF	C3 H7 N9 O2	P 1 21/c 1	25.649; 9.0726; 6.769 90; 92.424; 90	1573.8	Yang, Feng; Jiang, Shuaijie; Xu, Yuangang; Wang, Quan; He, Zhiwei; Lu, Ming Constructing an energetic hydroxytetrazole with high thermal stability by linking aminotriazole to 1-hydroxytetrazole CrystEngComm, 2025, 27, 2570-2576
7250103	CIF	C3 H5 N7 O3	P 1 21/m 1	7.2861; 5.9922; 8.2491 90; 97.669; 90	356.93	Yang, Feng; Jiang, Shuaijie; Xu, Yuangang; Wang, Quan; He, Zhiwei; Lu, Ming Constructing an energetic hydroxytetrazole with high thermal stability by linking aminotriazole to 1-hydroxytetrazole CrystEngComm, 2025, 27, 2570-2576
7250104	CIF	C3 H7 N9 O2	P 1 21/c 1	7.7908; 15.457; 7.2605 90; 114.635; 90	794.75	Yang, Feng; Jiang, Shuaijie; Xu, Yuangang; Wang, Quan; He, Zhiwei; Lu, Ming Constructing an energetic hydroxytetrazole with high thermal stability by linking aminotriazole to 1-hydroxytetrazole CrystEngComm, 2025, 27, 2570-2576
7250105	CIF	C3 H6 N8 O2	P 1 21 1	3.8698; 8.331; 11.6487 90; 95.015; 90	374.11	Yang, Feng; Jiang, Shuaijie; Xu, Yuangang; Wang, Quan; He, Zhiwei; Lu, Ming Constructing an energetic hydroxytetrazole with high thermal stability by linking aminotriazole to 1-hydroxytetrazole CrystEngComm, 2025, 27, 2570-2576
7250106	CIF	C3 H8 N10 O	C m c e	6.5314; 25.0039; 9.2895 90; 90; 90	1517.07	Yang, Feng; Jiang, Shuaijie; Xu, Yuangang; Wang, Quan; He, Zhiwei; Lu, Ming Constructing an energetic hydroxytetrazole with high thermal stability by linking aminotriazole to 1-hydroxytetrazole CrystEngComm, 2025, 27, 2570-2576
7250107	CIF	C3 H9 N9 O2	P 1 21/c 1	9.2271; 14.2917; 6.4999 90; 101.078; 90	841.18	Yang, Feng; Jiang, Shuaijie; Xu, Yuangang; Wang, Quan; He, Zhiwei; Lu, Ming Constructing an energetic hydroxytetrazole with high thermal stability by linking aminotriazole to 1-hydroxytetrazole CrystEngComm, 2025, 27, 2570-2576
7250108	CIF	Ca10 Ni0.5 O28 V7	R 3 c :H	10.777847; 10.777847; 37.81681 90; 90; 120	3804.34	Rahimi Mosafer, Houri S.; Sánchez-Martín, Josu; Errandonea, Daniel; Turnbull, Robin; Ibáñez-Insa, Jordi; Oliva, Robert; Fitch, Andrew; Popescu, Catalin; Kozłowski, Mirosław; Martin, Christine; Maximenko, Alexey; Wolska, Anna; Klepka, Marcin; Minikayev, Roman; Paszkowicz, Wojciech Exploring thermal and elastic properties of Ca10Ni0.5(VO4)7: a study involving the use of synchrotron radiation facilities CrystEngComm, 2025, 27, 2343-2353
7250109	CIF	Ca10 Ni0.5 O28 V7	R 3 c :H	10.754139; 10.754139; 37.72676 90; 90; 120	3778.6	Rahimi Mosafer, Houri S.; Sánchez-Martín, Josu; Errandonea, Daniel; Turnbull, Robin; Ibáñez-Insa, Jordi; Oliva, Robert; Fitch, Andrew; Popescu, Catalin; Kozłowski, Mirosław; Martin, Christine; Maximenko, Alexey; Wolska, Anna; Klepka, Marcin; Minikayev, Roman; Paszkowicz, Wojciech Exploring thermal and elastic properties of Ca10Ni0.5(VO4)7: a study involving the use of synchrotron radiation facilities CrystEngComm, 2025, 27, 2343-2353
7250110	CIF	C9 H11 Cu I N S2	P b c n	19.1222; 8.7885; 14.5433 90; 90; 90	2444.1	Mishra, Anrudh; Pandey, Dilip; Maurya, Sarvesh Kumar; Raghuvanshi, Abhinav Sunlight-driven photocatalytic degradation of organic dyes using Cu(i) coordination polymers: an efficient and recyclable solution for wastewater remediation CrystEngComm, 2025, 27, 2462-2469
7250111	CIF	C9 H11 Br Cu N S2	P b c n	18.7689; 8.6676; 14.2353 90; 90; 90	2315.82	Mishra, Anrudh; Pandey, Dilip; Maurya, Sarvesh Kumar; Raghuvanshi, Abhinav Sunlight-driven photocatalytic degradation of organic dyes using Cu(i) coordination polymers: an efficient and recyclable solution for wastewater remediation CrystEngComm, 2025, 27, 2462-2469
7250112	CIF	C30 H46 Cl4 N4 O12 Tb2	C 1 2/c 1	19.6964; 17.1246; 12.4454 90; 89.952; 90	4197.7	Cao, Lin-Bo; Wang, Hao; Wang, Tian-Tian; Sun, Wen-Bin Fluorescence quenching-based sensing of ofloxacin using dual-nuclear terbium complex CrystEngComm, 2025, 27, 2366-2370
7250113	CIF	C13 H16 N2 O5	P -1	8.5168; 11.751; 14.3094 110.381; 91.88; 94.517	1335.49	Pan, Ziqi; Zhang, Menglong; Hou, Xinyu; Yang, Huiwen; Rong, Hua; Song, Haibin; Zhang, Yong; Chen, Wei; Wu, Songgu Improvement of humidity stability of ethyl gallate by the cocrystal strategy and study of dissolution behavior of the cocrystal CrystEngComm, 2025, 27, 2577-2590
7250114	CIF	C9 H15 O7.5	P -1	7.0043; 11.7986; 14.0615 79.478; 83.701; 82.92	1129.27	Pan, Ziqi; Zhang, Menglong; Hou, Xinyu; Yang, Huiwen; Rong, Hua; Song, Haibin; Zhang, Yong; Chen, Wei; Wu, Songgu Improvement of humidity stability of ethyl gallate by the cocrystal strategy and study of dissolution behavior of the cocrystal CrystEngComm, 2025, 27, 2577-2590
7250115	CIF	C13 H11 Cl N6 O	P 1 21/n 1	6.8673; 11.7052; 17.4705 90; 92.559; 90	1402.9	Li, Jiangying; Ma, Haowen; Shi, Xiaoju; Jiao, Ting; Wang, Lin; Nie, Meiling; Wang, Xiaojuan; Deng, Zongwu; Zhang, Hailu Inorganic salts of topiroxostat: metastable tautomeric form and improved pharmaceutical performance CrystEngComm, 2025, 27, 2534-2544
7250116	CIF	C13 H10 N6 O4 S	P n n 2	25.4485; 12.9002; 4.46615 90; 90; 90	1466.2	Li, Jiangying; Ma, Haowen; Shi, Xiaoju; Jiao, Ting; Wang, Lin; Nie, Meiling; Wang, Xiaojuan; Deng, Zongwu; Zhang, Hailu Inorganic salts of topiroxostat: metastable tautomeric form and improved pharmaceutical performance CrystEngComm, 2025, 27, 2534-2544
7250117	CIF	C13 H8 N6	P 1 21 1	3.8498; 12.368; 12.116 90; 96.377; 90	573.3	Li, Jiangying; Ma, Haowen; Shi, Xiaoju; Jiao, Ting; Wang, Lin; Nie, Meiling; Wang, Xiaojuan; Deng, Zongwu; Zhang, Hailu Inorganic salts of topiroxostat: metastable tautomeric form and improved pharmaceutical performance CrystEngComm, 2025, 27, 2534-2544
7250118	CIF	C13 H10 N6 O4 S	P n n 2	12.6047; 25.471; 4.4874 90; 90; 90	1440.7	Li, Jiangying; Ma, Haowen; Shi, Xiaoju; Jiao, Ting; Wang, Lin; Nie, Meiling; Wang, Xiaojuan; Deng, Zongwu; Zhang, Hailu Inorganic salts of topiroxostat: metastable tautomeric form and improved pharmaceutical performance CrystEngComm, 2025, 27, 2534-2544
7250119	CIF	C13 H10 N6 O4 S	P 1 21/n 1	8.6846; 17.1907; 9.6432 90; 92.371; 90	1438.44	Li, Jiangying; Ma, Haowen; Shi, Xiaoju; Jiao, Ting; Wang, Lin; Nie, Meiling; Wang, Xiaojuan; Deng, Zongwu; Zhang, Hailu Inorganic salts of topiroxostat: metastable tautomeric form and improved pharmaceutical performance CrystEngComm, 2025, 27, 2534-2544
7250120	CIF	C38.85 H25.18 N5 O0.85	P n c 2	8.1689; 36.9002; 9.8982 90; 90; 90	2983.65	Huang, Chengrui; Zhou, Jianping; Samedov, Kerim; Zhang, Liang; Peng, Guoqing; Peng, Xiangchao; Chen, Mingxing; Zhang, Dongdong; Cai, Yuanjing Aggregation-enhanced TADF in deep-red emitters for high-performance OLEDs Physical Chemistry Chemical Physics, 2025
7250121	CIF	C38 H23 N5	P 1 21/c 1	22.3617; 10.6853; 11.8757 90; 99.54; 90	2798.4	Huang, Chengrui; Zhou, Jianping; Samedov, Kerim; Zhang, Liang; Peng, Guoqing; Peng, Xiangchao; Chen, Mingxing; Zhang, Dongdong; Cai, Yuanjing Aggregation-enhanced TADF in deep-red emitters for high-performance OLEDs Physical Chemistry Chemical Physics, 2025
7250122	CIF	C66 H42 N6	P 1 2/n 1	24.9637; 8.0804; 31.0995 90; 113.36; 90	5759.1	Huang, Chengrui; Zhou, Jianping; Samedov, Kerim; Zhang, Liang; Peng, Guoqing; Peng, Xiangchao; Chen, Mingxing; Zhang, Dongdong; Cai, Yuanjing Aggregation-enhanced TADF in deep-red emitters for high-performance OLEDs Physical Chemistry Chemical Physics, 2025
7250123	CIF	C11.2 H8 O0.4	P 1 c 1	23.7924; 8.0783; 11.8488 90; 97.077; 90	2260.01	Yang, Bin-Bin; Wu, Si-Yuan; Zhang, Qing-Pu; Ma, Hui; Sun, Yu-Ling; Zhang, Chun Tetraptycene derivatives: synthesis, structure and their self-assemblies in solid state RSC Advances, 2025, 15, 8293-8299
7250124	CIF	C32 H28 O4	C 1 2/c 1	29.0799; 14.4055; 22.9347 90; 92.971; 90	9594.67	Yang, Bin-Bin; Wu, Si-Yuan; Zhang, Qing-Pu; Ma, Hui; Sun, Yu-Ling; Zhang, Chun Tetraptycene derivatives: synthesis, structure and their self-assemblies in solid state RSC Advances, 2025, 15, 8293-8299
7250125	CIF	C30 H24 O2	P 1 21/c 1	22.5743; 8.0225; 11.7565 90; 101.648; 90	2085.28	Yang, Bin-Bin; Wu, Si-Yuan; Zhang, Qing-Pu; Ma, Hui; Sun, Yu-Ling; Zhang, Chun Tetraptycene derivatives: synthesis, structure and their self-assemblies in solid state RSC Advances, 2025, 15, 8293-8299
7250126	CIF	C31 H32 O8	P 1 21/c 1	26.1553; 11.0118; 8.9646 90; 91.581; 90	2580.97	Yang, Bin-Bin; Wu, Si-Yuan; Zhang, Qing-Pu; Ma, Hui; Sun, Yu-Ling; Zhang, Chun Tetraptycene derivatives: synthesis, structure and their self-assemblies in solid state RSC Advances, 2025, 15, 8293-8299
7250127	CIF	C21 H28 Fe N10 O15.5	P -1	10.2159; 11.9887; 12.2929 86.478; 89.905; 83.462	1492.94	Danilescu, Olga; Bourosh, Paulina; Bulhac, Ion; Kulikova, Olga; Cocu, Maria; Chumakov, Yurii Mononuclear high-spin Fe(iii) complexes: synthesis, crystal structures, magnetic and optical properties CrystEngComm, 2025, 27, 3006-3017
7250128	CIF	C21 H28 Cl3 Fe N7 O18.5	P -1	13.4972; 16.7467; 17.1179 89.179; 71.646; 70.421	3442	Danilescu, Olga; Bourosh, Paulina; Bulhac, Ion; Kulikova, Olga; Cocu, Maria; Chumakov, Yurii Mononuclear high-spin Fe(iii) complexes: synthesis, crystal structures, magnetic and optical properties CrystEngComm, 2025, 27, 3006-3017
7250129	CIF	C41 H28 O3	P -1	7.9903; 11.0983; 18.2204 92.71; 99.636; 103.104	1545.36	Shehayeb, Elissa O.; Assoud, Abdeljalil; Au, Vonika Ka-Man Aldehyde-based triphenylethylene organic crystals for aniline vapour detection CrystEngComm, 2025, 27, 2470-2476
7250130	CIF	C42 H50 Cl6 N2 Pd	P 1 21/n 1	12.7602; 15.6164; 21.3741 90; 99.829; 90	4196.66	Donati, Chiara; Hashim, Ishfaq Ibni; Pozsoni, Nestor Bracho; Bourda, Laurens; Van Hecke, Kristof; Cazin, Catherine S. J.; Visentin, Fabiano; Nolan, Steven P.; Gandin, Valentina; Scattolin, Thomas Investigation of the In Vitro Anticancer Potential of Bis(imino)acenaphthene-N-Heterocyclic Carbene Transition Metal Complexes Revealed TrxR Inhibition and Triggering of Immunogenic Cell Death (ICD) for Allyl Palladates RSC Medicinal Chemistry, 2025
7250131	CIF	C19 H21 N5 O3 S	P 1 21/c 1	8.6243; 20.6113; 10.7734 90; 102.261; 90	1871.4	Polo-Cuadrado, Efraín; Acosta-Quiroga, Karen; Rojas-Peña, Cristian; Rodriguez-Nuñez, Yeray A.; Blanco-Acuña, Edgard Fabián; Lopez, Jhon J.; Brito, Iván; Cisterna, Jonathan; Alderete, Joel B.; Gutiérrez, Margarita Regioselective cyclocondensations with thiobarbituric acid: spirocyclic and azocine products, X-ray characterization, and antioxidant evaluation RSC Advances, 2025, 15, 8609-8621
7250132	CIF	C9 H24 F3 La O18	R -3 :H	14.586; 14.586; 17.4069 90; 90; 120	3207.19	Feng, Yuying; Hua, Carol; van Koeverden, Martin P. The effect of viologen counterions on the topologies of La(iii)–tetraoxolene metal–organic frameworks CrystEngComm, 2025, 27, 2559-2569
7250133	CIF	C27 H15.5 Br5 La N2 O11.75	P 1 21/c 1	12.011; 26.422; 10.489 90; 108.86; 90	3150	Feng, Yuying; Hua, Carol; van Koeverden, Martin P. The effect of viologen counterions on the topologies of La(iii)–tetraoxolene metal–organic frameworks CrystEngComm, 2025, 27, 2559-2569
7250134	CIF	C27 H18 Cl5 La N2 O13	P 1 21/c 1	11.8532; 26.2857; 10.5597 90; 107.882; 90	3131.14	Feng, Yuying; Hua, Carol; van Koeverden, Martin P. The effect of viologen counterions on the topologies of La(iii)–tetraoxolene metal–organic frameworks CrystEngComm, 2025, 27, 2559-2569
7250135	CIF	C28 H24 Br4 La N O11	P -1	10.8019; 12.6028; 13.3338 109.799; 90.154; 108.366	1608.68	Feng, Yuying; Hua, Carol; van Koeverden, Martin P. The effect of viologen counterions on the topologies of La(iii)–tetraoxolene metal–organic frameworks CrystEngComm, 2025, 27, 2559-2569
7250136	CIF	C27 H18 Cl5 La N2 O13	P 1 21/c 1	11.7957; 26.311; 10.5813 90; 108.089; 90	3121.67	Feng, Yuying; Hua, Carol; van Koeverden, Martin P. The effect of viologen counterions on the topologies of La(iii)–tetraoxolene metal–organic frameworks CrystEngComm, 2025, 27, 2559-2569
7250137	CIF	C19 H28 Br4 La N O19	P -1	10.7111; 11.8605; 13.2161 97.055; 94.584; 107.293	1578.87	Feng, Yuying; Hua, Carol; van Koeverden, Martin P. The effect of viologen counterions on the topologies of La(iii)–tetraoxolene metal–organic frameworks CrystEngComm, 2025, 27, 2559-2569
7250138	CIF	C46 H50 Cl8 La2 N6 O29	P -1	13.0706; 13.8311; 18.0949 92.541; 90.289; 101.008	3207.56	Feng, Yuying; Hua, Carol; van Koeverden, Martin P. The effect of viologen counterions on the topologies of La(iii)–tetraoxolene metal–organic frameworks CrystEngComm, 2025, 27, 2559-2569
7250139	CIF	C25 H22 Cl4 La N O12	P -1	10.7781; 11.4423; 12.9249 103.513; 94.393; 106.749	1466.26	Feng, Yuying; Hua, Carol; van Koeverden, Martin P. The effect of viologen counterions on the topologies of La(iii)–tetraoxolene metal–organic frameworks CrystEngComm, 2025, 27, 2559-2569
7250140	CIF	C27 H18 Br5 La N2 O13	P 1 21/c 1	12.1099; 26.346; 10.5165 90; 108.823; 90	3175.82	Feng, Yuying; Hua, Carol; van Koeverden, Martin P. The effect of viologen counterions on the topologies of La(iii)–tetraoxolene metal–organic frameworks CrystEngComm, 2025, 27, 2559-2569
7250141	CIF	C68 H80 Ag2 B6 F16 N28	P 1 21/n 1	10.7076; 15.1774; 24.6897 90; 101.81; 90	3927.5	Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation. CrystEngComm, 2025, 27, 2689-2697
7250142	CIF	C68 H80 Ag2 B4 F20 N28 P2	P 1 21/n 1	10.7065; 15.4255; 24.8186 90; 100.862; 90	4025.43	Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation. CrystEngComm, 2025, 27, 2689-2697
7250143	CIF	C67 H84 Ag2 B6 F16 N24 O2	P -1	11.8538; 12.0482; 14.9556 84.711; 70.296; 72.827	1921.14	Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation. CrystEngComm, 2025, 27, 2689-2697
7250144	CIF	C60 H68 Ag2 B4 F12 N24 O4 P2	P -1	4.8187; 18.098; 20.308 77.995; 89.089; 85.412	1726.8	Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation. CrystEngComm, 2025, 27, 2689-2697
7250145	CIF	C60 H70 Ag5 B4 F18 N24 O11 P5	P -1	9.1775; 10.1075; 43.74 95.436; 94.643; 92.586	4020.2	Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation. CrystEngComm, 2025, 27, 2689-2697
7250146	CIF	C90 H102 Ag2 B6 F24 N36 P2	P -1	11.3667; 16.8858; 16.9432 61.779; 85.708; 74.541	2756.75	Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation. CrystEngComm, 2025, 27, 2689-2697
7250147	CIF	C60 H70 Ag5 B4 Cl5 F8 N24 O21	P -1	9.2212; 10.1196; 43.8086 95.07; 94.753; 92.657	4052.1	Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation. CrystEngComm, 2025, 27, 2689-2697
7250148	CIF	C60 H68 Ag2 B4 Cl2 F8 N24 O8	P -1	4.9084; 18.173; 20.2142 77.493; 89.044; 83.528	1749.05	Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation. CrystEngComm, 2025, 27, 2689-2697
7250149	CIF	C68 H80 Ag2 B4 Cl2 F8 N28 O8	P 1 21/n 1	10.7497; 15.1327; 24.7495 90; 101.452; 90	3945.9	Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation. CrystEngComm, 2025, 27, 2689-2697
7250150	CIF	C34 H40 Ag B2 F4 N14 O4 Re	P n m a	9.2292; 24.4944; 17.7165 90; 90; 90	4005.1	Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation. CrystEngComm, 2025, 27, 2689-2697
7250151	CIF	C30 H34 Ag2 B2 F4 N14 O6	P 1 21/c 1	21.2429; 18.7393; 9.1588 90; 93.488; 90	3639.2	Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation. CrystEngComm, 2025, 27, 2689-2697
7250152	CIF	C14 H32 N2 O8 S2	P -1	7.3962; 7.7483; 10.1053 74.404; 72.51; 75.828	523.46	Winson, Cinu; Kandasamy, Saravanan; Divya, Indira S.; Wozniak, Krzysztof; Varughese, Sunil Polymorphs and stoichiometric variants of crown ether-based molecular complexes: exploring the landscape of conformational flexibility and supramolecular interactions CrystEngComm, 2025, 27, 2698-2710
7250153	CIF	C38 H46 F4 I2 N6 O14	P -1	10.586; 11.312; 11.39 68.084; 66.508; 64.091	1091.91	Winson, Cinu; Kandasamy, Saravanan; Divya, Indira S.; Wozniak, Krzysztof; Varughese, Sunil Polymorphs and stoichiometric variants of crown ether-based molecular complexes: exploring the landscape of conformational flexibility and supramolecular interactions CrystEngComm, 2025, 27, 2698-2710
7250154	CIF	C16 H32 N4 O6 S4	P 1 21/n 1	8.5145; 14.7946; 10.0414 90; 104.389; 90	1225.22	Winson, Cinu; Kandasamy, Saravanan; Divya, Indira S.; Wozniak, Krzysztof; Varughese, Sunil Polymorphs and stoichiometric variants of crown ether-based molecular complexes: exploring the landscape of conformational flexibility and supramolecular interactions CrystEngComm, 2025, 27, 2698-2710
7250155	CIF	C32 H46 N6 O14	P 1 21/c 1	7.543; 11.822; 20.072 90; 99.41; 90	1765.8	Winson, Cinu; Kandasamy, Saravanan; Divya, Indira S.; Wozniak, Krzysztof; Varughese, Sunil Polymorphs and stoichiometric variants of crown ether-based molecular complexes: exploring the landscape of conformational flexibility and supramolecular interactions CrystEngComm, 2025, 27, 2698-2710
7250156	CIF	C22 H40 N2 O6 S2	P -1	10.146; 14.144; 14.505 91.7; 105.501; 101.171	1960.51	Winson, Cinu; Kandasamy, Saravanan; Divya, Indira S.; Wozniak, Krzysztof; Varughese, Sunil Polymorphs and stoichiometric variants of crown ether-based molecular complexes: exploring the landscape of conformational flexibility and supramolecular interactions CrystEngComm, 2025, 27, 2698-2710
7250157	CIF	C32 H46 N6 O14	P -1	8.382; 11.492; 19.223 86.229; 80.13; 84.865	1814.54	Winson, Cinu; Kandasamy, Saravanan; Divya, Indira S.; Wozniak, Krzysztof; Varughese, Sunil Polymorphs and stoichiometric variants of crown ether-based molecular complexes: exploring the landscape of conformational flexibility and supramolecular interactions CrystEngComm, 2025, 27, 2698-2710
7250158	CIF	C22 H42 N2 O7 S2	P 1 21/c 1	8.189; 14.73; 21.856 90; 90.56; 90	2636.23	Winson, Cinu; Kandasamy, Saravanan; Divya, Indira S.; Wozniak, Krzysztof; Varughese, Sunil Polymorphs and stoichiometric variants of crown ether-based molecular complexes: exploring the landscape of conformational flexibility and supramolecular interactions CrystEngComm, 2025, 27, 2698-2710
7250159	CIF	C32 H46 N6 O14	P -1	11.5; 16.761; 19.589 104.953; 91.171; 95.137	3629.58	Winson, Cinu; Kandasamy, Saravanan; Divya, Indira S.; Wozniak, Krzysztof; Varughese, Sunil Polymorphs and stoichiometric variants of crown ether-based molecular complexes: exploring the landscape of conformational flexibility and supramolecular interactions CrystEngComm, 2025, 27, 2698-2710
7250160	CIF	C19 H21 N3 O4	P 1 21/c 1	9.5658; 8.2756; 22.671 90; 99.436; 90	1770.4	Arteaga Giraldo, Juan J.; Söhnel, Tilo; Kilmartin, Paul A.; Sperry, Jonathan Electrochemical oxidation–cyclocondensation of chitin-derived 3-acetamido-5-acetylfuran (3A5AF) for the synthesis of 3-acetyl-4-acetamidopyrrolin-2-ones Green Chemistry, 2025, 27, 4259-4266
7250161	CIF	C6 H14 Cs I3 N2	P 63/m m c	10.0382; 10.0382; 7.9849 90; 90; 120	696.81	van der Poll, Hendrik J.; Erasmus, Rudolph; Rademeyer, Melanie Structures and band gaps of lead-free dabconium-containing hybrid alkali-metal halide perovskites CrystEngComm, 2025, 27, 2545-2558
7250162	CIF	C6 H14 Br3 N2 Na	R -3 c :H	16.3508; 16.3508; 21.9979 90; 90; 120	5093.19	van der Poll, Hendrik J.; Erasmus, Rudolph; Rademeyer, Melanie Structures and band gaps of lead-free dabconium-containing hybrid alkali-metal halide perovskites CrystEngComm, 2025, 27, 2545-2558
7250163	CIF	C6 H14 Cl3 K N2	R -3 c :H	16.0388; 16.0388; 22.2094 90; 90; 120	4947.79	van der Poll, Hendrik J.; Erasmus, Rudolph; Rademeyer, Melanie Structures and band gaps of lead-free dabconium-containing hybrid alkali-metal halide perovskites CrystEngComm, 2025, 27, 2545-2558
7250164	CIF	C6 H14 Cl2 Cs I N2	P 31 2 1	9.77; 9.77; 11.9653 90; 90; 120	989.11	van der Poll, Hendrik J.; Erasmus, Rudolph; Rademeyer, Melanie Structures and band gaps of lead-free dabconium-containing hybrid alkali-metal halide perovskites CrystEngComm, 2025, 27, 2545-2558
7250165	CIF	C6 H14 Br3 Cs N2	P b c n	9.8044; 9.8273; 27.3662 90; 90; 90	2636.75	van der Poll, Hendrik J.; Erasmus, Rudolph; Rademeyer, Melanie Structures and band gaps of lead-free dabconium-containing hybrid alkali-metal halide perovskites CrystEngComm, 2025, 27, 2545-2558
7250166	CIF	C6 H14 Br3 K N2	R -3 c :H	16.5223; 16.5223; 23.0126 90; 90; 120	5440.5	van der Poll, Hendrik J.; Erasmus, Rudolph; Rademeyer, Melanie Structures and band gaps of lead-free dabconium-containing hybrid alkali-metal halide perovskites CrystEngComm, 2025, 27, 2545-2558
7250167	CIF	C6 H14 I3 K N2	R 3 2 :H	9.6698; 9.6698; 12.2899 90; 90; 120	995.21	van der Poll, Hendrik J.; Erasmus, Rudolph; Rademeyer, Melanie Structures and band gaps of lead-free dabconium-containing hybrid alkali-metal halide perovskites CrystEngComm, 2025, 27, 2545-2558
7250168	CIF	C6 H14 Cl3 N2 Na	R -3 c :H	15.8747; 15.8747; 21.1921 90; 90; 120	4625.04	van der Poll, Hendrik J.; Erasmus, Rudolph; Rademeyer, Melanie Structures and band gaps of lead-free dabconium-containing hybrid alkali-metal halide perovskites CrystEngComm, 2025, 27, 2545-2558
7250169	CIF	C24 H56 Cl12 Cs4 N8	C 1 2/c 1	41.1638; 9.4899; 32.6647 90; 131.638; 90	9536.4	van der Poll, Hendrik J.; Erasmus, Rudolph; Rademeyer, Melanie Structures and band gaps of lead-free dabconium-containing hybrid alkali-metal halide perovskites CrystEngComm, 2025, 27, 2545-2558
7250170	CIF	C38 H41 O12 S4	C 1 2/c 1	20.809; 18.499; 10.0983 90; 95.989; 90	3866.1	Lei, Min; Jiang, Lisha; Wang, Chunhui; Song, Jianxin; Liu, Wei; Qiu, Jie A flexible molecular organic crystal with π–π bonding for the highly selective recognition of hydrogen isotopes CrystEngComm, 2025, 27, 2591-2599
7250171	CIF	C32 H29 N O4 S	P n m a	9.6238; 25.2734; 10.8726 90; 90; 90	2644.5	Lin, Mengdi; Zhang, Shilong; Liang, Xuefeng; Shan, Zhenhua; Yang, Wenqian; Xie, Haijiao Modulation of fluorescence in novel A–D–A type phenothiazine derivatives via oxidation RSC Advances, 2025, 15, 8851-8854
7250172	CIF	C32 H29 N O6 S	P n m a	8.1919; 27.329; 11.613 90; 90; 90	2599.9	Lin, Mengdi; Zhang, Shilong; Liang, Xuefeng; Shan, Zhenhua; Yang, Wenqian; Xie, Haijiao Modulation of fluorescence in novel A–D–A type phenothiazine derivatives via oxidation RSC Advances, 2025, 15, 8851-8854
7250173	CIF	C21 H15 N O	P b c a	12.5288; 14.6591; 16.0719 90; 90; 90	2951.78	Yang, Fang; Wang, Lin-Lin; Liu, Yu-Hua; Wu, Ke-Xin; Chen, Zi-Sheng; Ji, Kegong Brønsted acid-catalyzed two-component tandem condensation and cycloisomerization to 6(2H)-isoquinolinones RSC Advances, 2025, 15, 8913-8917
7250174	CIF	C26 H18 N2 O2	P 1 21/c 1	10.078; 9.888; 20.434 90; 101.85; 90	1992.9	Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip Synthesis of dual-state emissive twisted donor–acceptor fluorophores: tunable fluorescence and self-reversible mechanofluorochromism CrystEngComm, 2025, 27, 2759-2766
7250175	CIF	C32 H24 N4 O4	P -1	7.684; 8.609; 19.253 87.9; 89.11; 78.07	1245.2	Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip Synthesis of dual-state emissive twisted donor–acceptor fluorophores: tunable fluorescence and self-reversible mechanofluorochromism CrystEngComm, 2025, 27, 2759-2766
7250176	CIF	C31 H23 N3 O3	P 1 21/n 1	7.518; 36.519; 9.083 90; 97.19; 90	2474.1	Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip Synthesis of dual-state emissive twisted donor–acceptor fluorophores: tunable fluorescence and self-reversible mechanofluorochromism CrystEngComm, 2025, 27, 2759-2766
7250177	CIF	C29 H20 N4 O2	P -1	8.658; 10.746; 13.271 76.39; 74.05; 83.35	1152.1	Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip Synthesis of dual-state emissive twisted donor–acceptor fluorophores: tunable fluorescence and self-reversible mechanofluorochromism CrystEngComm, 2025, 27, 2759-2766
7250178	CIF	C29 H19 N3 O3	P -1	11.226; 13.215; 16.773 81.42; 87.99; 69.34	2301.8	Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip Synthesis of dual-state emissive twisted donor–acceptor fluorophores: tunable fluorescence and self-reversible mechanofluorochromism CrystEngComm, 2025, 27, 2759-2766
7250179	CIF	C84 H200 Ag40 Nb6 O19 S32	P b c n	25.471; 26.107; 26.205 90; 90; 90	17426	Zeng, Li; Lin, Ya-Ting; Hong, Li-Hao; Sun, Yan-Qiong; Xie, Jianping; Zheng, Shou-Tian; Li, Xin-Xiong A new silver–thiolate nanocluster synthesized utilizing pure-inorganic polyoxoniobate as a starting template and its variable-temperature fluorescence properties CrystEngComm, 2025, 27, 2883-2887
7250180	CIF	C22 H24 O2 S Se	P 21 21 21	5.9476; 18.2684; 18.31 90; 90; 90	1989.4	Xiao, Xiao; Tian, Hong-Yu; Sun, Jia-Chen; Bai, Jun; Wang, Min; Chen, Biao; Jin, Yu-Xia; Jiang, Hai-Bo; Cheng, Dang; Chen, Fen-Er Deuterated methylselenylating reagents designed for diverse Se-methyl-d3 scaffold construction Green Chemistry, 2025, 27, 4779-4794
7250181	CIF	C20 H17 D3 O2 S Se	P 1 21/c 1	15.7314; 5.9645; 19.2934 90; 98.228; 90	1791.66	Xiao, Xiao; Tian, Hong-Yu; Sun, Jia-Chen; Bai, Jun; Wang, Min; Chen, Biao; Jin, Yu-Xia; Jiang, Hai-Bo; Cheng, Dang; Chen, Fen-Er Deuterated methylselenylating reagents designed for diverse Se-methyl-d3 scaffold construction Green Chemistry, 2025, 27, 4779-4794
7250182	CIF	C47 H69 Al2 Cl4 N2 O	P -1	9.0911; 10.3317; 13.0377 86.304; 87.913; 80.022	1203.16	Francis, Maria; Shinde, Kishor; Roy, Sudipta Theoretical and experimental studies on stability, bonding and isolation of elusive bis-(dichloro-aluminium) oxides supported by donor-base ligands RSC Advances, 2025, 15, 9208-9215
7250183	CIF	C20 H32 Al Cl4 N	P 21 21 21	11.4289; 14.0183; 15.0816 90; 90; 90	2416.3	Francis, Maria; Shinde, Kishor; Roy, Sudipta Theoretical and experimental studies on stability, bonding and isolation of elusive bis-(dichloro-aluminium) oxides supported by donor-base ligands RSC Advances, 2025, 15, 9208-9215
7250184	CIF	C13 H17 N3 O5	P 1 21/c 1	13.43; 8.8535; 11.7594 90; 99.231; 90	1380.1	Zhang, Qi; Zhu, Yitong; Xu, Yisheng; Yang, Huaiyu; Li, Wei; Zhang, Xiangyang Different thermal and solubility properties with an identical crystal structure – case of lenalidomide hydrate CrystEngComm, 2025, 27, 2815-2823
7250185	CIF	C23 H16 Cl2 N O	P 1 21/c 1	8.1897; 29.5212; 8.055 90; 99.46; 90	1921	Xiao, Hui; Ma, HuiLi; Wang, Jingyi; An, Zhongfu; Guo, Zhiyong Crystallization-induced highly efficient phosphorescence in metal-free organic phosphors CrystEngComm, 2025, 27, 2931-2936
7250186	CIF	C22 H14 N O	P 1 21/c 1	10.3584; 14.3225; 10.9878 90; 109.787; 90	1533.88	Xiao, Hui; Ma, HuiLi; Wang, Jingyi; An, Zhongfu; Guo, Zhiyong Crystallization-induced highly efficient phosphorescence in metal-free organic phosphors CrystEngComm, 2025, 27, 2931-2936
7250187	CIF	C10 H10 N2 O3	P b c a	11.264; 10.812; 16.025 90; 90; 90	1952	Zieba, Sylwia; Dubis, Alina Teresa; Rusek, Michalina; Katrusiak, Andrzej; Gzella, Andrzej K.; Lapinski, Andrzej Negative thermal expansion and linear compressibility in 1H-imidazol-3-ium 2-hydroxybenzoate with a helical network of hydrogen bonds Physical Chemistry Chemical Physics, 2025
7250188	CIF	C10 H10 N2 O3	P b c a	11.0988; 10.9361; 16.4701 90; 90; 90	1999.1	Zieba, Sylwia; Dubis, Alina Teresa; Rusek, Michalina; Katrusiak, Andrzej; Gzella, Andrzej K.; Lapinski, Andrzej Negative thermal expansion and linear compressibility in 1H-imidazol-3-ium 2-hydroxybenzoate with a helical network of hydrogen bonds Physical Chemistry Chemical Physics, 2025
7250189	CIF	C10 H10 N2 O3	P b c a	11.0676; 11.0227; 16.152 90; 90; 90	1970.46	Zieba, Sylwia; Dubis, Alina Teresa; Rusek, Michalina; Katrusiak, Andrzej; Gzella, Andrzej K.; Lapinski, Andrzej Negative thermal expansion and linear compressibility in 1H-imidazol-3-ium 2-hydroxybenzoate with a helical network of hydrogen bonds Physical Chemistry Chemical Physics, 2025
7250190	CIF	C10 H10 N2 O3	P b c a	11.54; 10.49; 14.153 90; 90; 90	1713	Zieba, Sylwia; Dubis, Alina Teresa; Rusek, Michalina; Katrusiak, Andrzej; Gzella, Andrzej K.; Lapinski, Andrzej Negative thermal expansion and linear compressibility in 1H-imidazol-3-ium 2-hydroxybenzoate with a helical network of hydrogen bonds Physical Chemistry Chemical Physics, 2025
7250191	CIF	C10 H10 N2 O3	P b c a	11.0777; 10.9375; 16.688 90; 90; 90	2022	Zieba, Sylwia; Dubis, Alina Teresa; Rusek, Michalina; Katrusiak, Andrzej; Gzella, Andrzej K.; Lapinski, Andrzej Negative thermal expansion and linear compressibility in 1H-imidazol-3-ium 2-hydroxybenzoate with a helical network of hydrogen bonds Physical Chemistry Chemical Physics, 2025
7250192	CIF	C10 H10 N2 O3	P b c a	11.1043; 10.9664; 16.3069 90; 90; 90	1985.76	Zieba, Sylwia; Dubis, Alina Teresa; Rusek, Michalina; Katrusiak, Andrzej; Gzella, Andrzej K.; Lapinski, Andrzej Negative thermal expansion and linear compressibility in 1H-imidazol-3-ium 2-hydroxybenzoate with a helical network of hydrogen bonds Physical Chemistry Chemical Physics, 2025
7250193	CIF	C10 H10 N2 O3	P b c a	11.4739; 10.652; 15.1725 90; 90; 90	1854.4	Zieba, Sylwia; Dubis, Alina Teresa; Rusek, Michalina; Katrusiak, Andrzej; Gzella, Andrzej K.; Lapinski, Andrzej Negative thermal expansion and linear compressibility in 1H-imidazol-3-ium 2-hydroxybenzoate with a helical network of hydrogen bonds Physical Chemistry Chemical Physics, 2025
7250194	CIF	C10 H10 N2 O3	P b c a	11.5502; 10.596; 14.816 90; 90; 90	1813.3	Zieba, Sylwia; Dubis, Alina Teresa; Rusek, Michalina; Katrusiak, Andrzej; Gzella, Andrzej K.; Lapinski, Andrzej Negative thermal expansion and linear compressibility in 1H-imidazol-3-ium 2-hydroxybenzoate with a helical network of hydrogen bonds Physical Chemistry Chemical Physics, 2025
7250195	CIF	C10 H10 N2 O3	P b c a	11.562; 10.656; 14.409 90; 90; 90	1775	Zieba, Sylwia; Dubis, Alina Teresa; Rusek, Michalina; Katrusiak, Andrzej; Gzella, Andrzej K.; Lapinski, Andrzej Negative thermal expansion and linear compressibility in 1H-imidazol-3-ium 2-hydroxybenzoate with a helical network of hydrogen bonds Physical Chemistry Chemical Physics, 2025
7250196	CIF	C62 H57 N7 O9 Zn2	P -1	9.6377; 15.5333; 18.4376 76.307; 88.371; 82.631	2659.6	Gang, Ruo-Tong; Zhang, Wen-Jing; Yu, Hai-Jun; Li, Zhen-Hui; Li, Yi-Long; Wu, Xue-Ru; Chen, Ming-Guang; Gao, Shu-Man; Shao, Feng Two zinc(ii)-based coordination polymers as luminescent sensors for detecting salicylaldehyde with high sensitivity and selectivity CrystEngComm, 2025, 27, 2944-2951
7250197	CIF	C34 H24 N6 O4 Zn	P -1	10.1228; 11.5907; 13.8893 111.631; 94.164; 101.933	1462.16	Gang, Ruo-Tong; Zhang, Wen-Jing; Yu, Hai-Jun; Li, Zhen-Hui; Li, Yi-Long; Wu, Xue-Ru; Chen, Ming-Guang; Gao, Shu-Man; Shao, Feng Two zinc(ii)-based coordination polymers as luminescent sensors for detecting salicylaldehyde with high sensitivity and selectivity CrystEngComm, 2025, 27, 2944-2951
7250198	CIF	C30 H52 O5	P 1	7.3902; 11.2559; 34.3983 97.376; 90.692; 90.181	2837.4	Nhi Nguyen, Thi Uyen; Kung, Chen-Chen; Liaw, Chia-Ching; Lin, Yu-Chi; Chen, You-Ying; Zheng, Li-Guo; Chien, Su-Ying; Tang, Chi-Chieh; Weng, Jing-Ru; Su, Jui-Hsin; Sheu, Jyh-Horng; Sung, Ping-Jyun Sarcophytonin H: a novel endoperoxide-containing dihydrofuranocembranoid from an octocoral Sarcophyton species RSC Advances, 2025, 15, 9454-9460
7250199	CIF	C20 H28 O5	P 21 21 21	11.299; 11.3809; 14.0929 90; 90; 90	1812.25	Nhi Nguyen, Thi Uyen; Kung, Chen-Chen; Liaw, Chia-Ching; Lin, Yu-Chi; Chen, You-Ying; Zheng, Li-Guo; Chien, Su-Ying; Tang, Chi-Chieh; Weng, Jing-Ru; Su, Jui-Hsin; Sheu, Jyh-Horng; Sung, Ping-Jyun Sarcophytonin H: a novel endoperoxide-containing dihydrofuranocembranoid from an octocoral Sarcophyton species RSC Advances, 2025, 15, 9454-9460
7250200	CIF	C30 H59 Ni3 O41.5 Rb6	P -1	10.5074; 12.4178; 12.4907 78.142; 66.982; 78.702	1455.9	Zorina-Tikhonova, Ekaterina N.; Matiukhina, Anna K.; Korlyukov, Alexander A.; Goloveshkin, Alexander S.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Alexandrov, Eugeny V.; Kiskin, Mikhail A.; Eremenko, Igor L. The role of alkali metal cations in the construction of heterometallic NiII polymeric cyclopropane-1,1-dicarboxylates CrystEngComm, 2025, 27, 3352-3361
7250201	CIF	C10 H24 Cs2 Ni O16	P -1	5.2628; 10.5543; 10.7212 114.616; 92.679; 101.051	525.98	Zorina-Tikhonova, Ekaterina N.; Matiukhina, Anna K.; Korlyukov, Alexander A.; Goloveshkin, Alexander S.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Alexandrov, Eugeny V.; Kiskin, Mikhail A.; Eremenko, Igor L. The role of alkali metal cations in the construction of heterometallic NiII polymeric cyclopropane-1,1-dicarboxylates CrystEngComm, 2025, 27, 3352-3361
7250202	CIF	C10 H28 Na2 Ni O18	P -1	5.5034; 8.4085; 11.8303 81.35; 87.308; 83.679	537.68	Zorina-Tikhonova, Ekaterina N.; Matiukhina, Anna K.; Korlyukov, Alexander A.; Goloveshkin, Alexander S.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Alexandrov, Eugeny V.; Kiskin, Mikhail A.; Eremenko, Igor L. The role of alkali metal cations in the construction of heterometallic NiII polymeric cyclopropane-1,1-dicarboxylates CrystEngComm, 2025, 27, 3352-3361
7250203	CIF	C30 H60 K6 Ni3 O42	P -1	10.2896; 12.302; 12.719 75.425; 66.665; 78.791	1422.6	Zorina-Tikhonova, Ekaterina N.; Matiukhina, Anna K.; Korlyukov, Alexander A.; Goloveshkin, Alexander S.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Alexandrov, Eugeny V.; Kiskin, Mikhail A.; Eremenko, Igor L. The role of alkali metal cations in the construction of heterometallic NiII polymeric cyclopropane-1,1-dicarboxylates CrystEngComm, 2025, 27, 3352-3361
7250204	CIF	C46 H40 Ca N2 O10	C 1 2/c 1	18.6216; 35.2831; 10.5028 90; 120.91; 90	5920.6	Zhao, Baiwen; Clarkson, Guy J.; Liu, Jie; Le, Thi Huong; Marrot, Jérôme; Millange, Franck; Frigoli, Michel; Walton, Richard I. Structural variety in calcium metal–organic frameworks with a tetratopic carboxylate ligand CrystEngComm, 2025, 27, 2830-2840
7250205	CIF	C114 H78 Ca5 O43.8	P -1	11.0429; 14.6332; 18.2349 99.017; 91.928; 99.224	2867.36	Zhao, Baiwen; Clarkson, Guy J.; Liu, Jie; Le, Thi Huong; Marrot, Jérôme; Millange, Franck; Frigoli, Michel; Walton, Richard I. Structural variety in calcium metal–organic frameworks with a tetratopic carboxylate ligand CrystEngComm, 2025, 27, 2830-2840
7250206	CIF	C42 H36 O10 S2	P -1	6.8684; 13.8322; 14.4683 105.538; 95.126; 101.433	1283.2	Zhao, Baiwen; Clarkson, Guy J.; Liu, Jie; Le, Thi Huong; Marrot, Jérôme; Millange, Franck; Frigoli, Michel; Walton, Richard I. Structural variety in calcium metal–organic frameworks with a tetratopic carboxylate ligand CrystEngComm, 2025, 27, 2830-2840
7250207	CIF	C114 H62 Ca5 O29	P -1	18.603; 19.2334; 20.9801 66.031; 67.392; 85.309	6307.6	Zhao, Baiwen; Clarkson, Guy J.; Liu, Jie; Le, Thi Huong; Marrot, Jérôme; Millange, Franck; Frigoli, Michel; Walton, Richard I. Structural variety in calcium metal–organic frameworks with a tetratopic carboxylate ligand CrystEngComm, 2025, 27, 2830-2840
7250208	CIF	C27.5 H32 N6 O6.5 S	P -1	7.0067; 11.6243; 17.481 100.627; 97.557; 98.458	1365.6	Prohens, Rafel; Barbas, Rafael; Barceló-Oliver, Miquel; Frontera, Antonio New salt-solvates of Mirabegron: a combined experimental and computational study CrystEngComm, 2025, 27, 2720-2728
7250209	CIF	C27 H35 N5 O4 S	P -1	7.9585; 9.7595; 18.6559 81.61; 88.461; 83.493	1424.2	Prohens, Rafel; Barbas, Rafael; Barceló-Oliver, Miquel; Frontera, Antonio New salt-solvates of Mirabegron: a combined experimental and computational study CrystEngComm, 2025, 27, 2720-2728
7250210	CIF	C29 H34 N6 O7 S	P -1	10.6139; 13.0164; 13.2023 111.948; 95.785; 114.007	1475	Prohens, Rafel; Barbas, Rafael; Barceló-Oliver, Miquel; Frontera, Antonio New salt-solvates of Mirabegron: a combined experimental and computational study CrystEngComm, 2025, 27, 2720-2728
7250211	CIF	C12 H11 N3 O2	P 1 21 1	11.81; 4.94; 17.74 90; 95.86; 90	1030	Tsuchiya, Yuiho; Ohata, Misaki; Chisuga, Taichi; Nakano, Shogo; Ito, Suguru Enantiopure and quasiracemic crystals of 7-substituted tryptophan derivatives: modulation of the molecular arrangement for functionalized crystals CrystEngComm, 2025, 27, 3095-3101
7250212	CIF	C10 H11 N3 O2	I 4	18.6956; 18.6956; 5.95062 90; 90; 90	2079.89	Tsuchiya, Yuiho; Ohata, Misaki; Chisuga, Taichi; Nakano, Shogo; Ito, Suguru Enantiopure and quasiracemic crystals of 7-substituted tryptophan derivatives: modulation of the molecular arrangement for functionalized crystals CrystEngComm, 2025, 27, 3095-3101
7250213	CIF	C10 H11 N3 O2	P 1 21 1	9.02963; 5.82382; 9.7226 90; 112.326; 90	472.955	Tsuchiya, Yuiho; Ohata, Misaki; Chisuga, Taichi; Nakano, Shogo; Ito, Suguru Enantiopure and quasiracemic crystals of 7-substituted tryptophan derivatives: modulation of the molecular arrangement for functionalized crystals CrystEngComm, 2025, 27, 3095-3101
7250214	CIF	C23 H23 N5 O4	P 1 21 1	9.4366; 5.7664; 19.631 90; 101.21; 90	1047.84	Tsuchiya, Yuiho; Ohata, Misaki; Chisuga, Taichi; Nakano, Shogo; Ito, Suguru Enantiopure and quasiracemic crystals of 7-substituted tryptophan derivatives: modulation of the molecular arrangement for functionalized crystals CrystEngComm, 2025, 27, 3095-3101
7250215	CIF	C59 H45 Cl3 N6 O4 Zn	P 1 21/c 1	13.0739; 33.003; 11.6472 90; 98.352; 90	4972.2	Bouicha, Mohamed Achraf; Mabrouk, Chama; Gassoumi, Bouzid; Barhoumi, Houcine; Molton, Florian; Loiseau, Frédérique; Roisnel, Thierry; Medina, Aracely Serrano; Cornejo Bravo, Jose Manuel; Lopez-Maldonado, Eduardo Alberto; Nasri, Habib New zinc(ii) metalloporphyrin: molecular structure, spectroscopic characterization, electrochemical sensing of dopamine, and catalytic dye degradation. RSC advances, 2025, 15, 9810-9827
7250216	CIF	C23 H18 F3 I O5 S	C 1 2/c 1	32.084; 6.2079; 21.7596 90; 106.709; 90	4151	Höfmann, Lea; Wölper, Christoph; Huber, Alexander; Siera, Hannah; Daniliuc, Constantin G.; Haberhauer, Gebhard; Voskuhl, Jens Tuning carbonyl interactions in dibenzochalcogenophenes CrystEngComm, 2025, 27, 2902-2909
7250217	CIF	C19 H12 O Se	P 1 21/n 1	4.812; 19.7752; 14.9145 90; 98.519; 90	1403.58	Höfmann, Lea; Wölper, Christoph; Huber, Alexander; Siera, Hannah; Daniliuc, Constantin G.; Haberhauer, Gebhard; Voskuhl, Jens Tuning carbonyl interactions in dibenzochalcogenophenes CrystEngComm, 2025, 27, 2902-2909
7250218	CIF	C20 H12 F3 I O4 S	P 1 21/c 1	10.16; 15.349; 13.056 90; 109.4; 90	1920.4	Höfmann, Lea; Wölper, Christoph; Huber, Alexander; Siera, Hannah; Daniliuc, Constantin G.; Haberhauer, Gebhard; Voskuhl, Jens Tuning carbonyl interactions in dibenzochalcogenophenes CrystEngComm, 2025, 27, 2902-2909
7250219	CIF	C12 H7 Br Se	P 1 21/c 1	17.2909; 4.0044; 14.8721 90; 105.375; 90	992.89	Höfmann, Lea; Wölper, Christoph; Huber, Alexander; Siera, Hannah; Daniliuc, Constantin G.; Haberhauer, Gebhard; Voskuhl, Jens Tuning carbonyl interactions in dibenzochalcogenophenes CrystEngComm, 2025, 27, 2902-2909
7250220	CIF	C19 H12 O S	P 1 21/n 1	4.7662; 19.7037; 14.7618 90; 96.564; 90	1377.22	Höfmann, Lea; Wölper, Christoph; Huber, Alexander; Siera, Hannah; Daniliuc, Constantin G.; Haberhauer, Gebhard; Voskuhl, Jens Tuning carbonyl interactions in dibenzochalcogenophenes CrystEngComm, 2025, 27, 2902-2909
7250221	CIF	C19 H12 O S	P 1 21/n 1	3.9473; 29.7393; 11.4521 90; 91.572; 90	1343.86	Höfmann, Lea; Wölper, Christoph; Huber, Alexander; Siera, Hannah; Daniliuc, Constantin G.; Haberhauer, Gebhard; Voskuhl, Jens Tuning carbonyl interactions in dibenzochalcogenophenes CrystEngComm, 2025, 27, 2902-2909
7250222	CIF	C19 H12 O Se	P 1 21/n 1	3.9799; 29.881; 11.4398 90; 92.136; 90	1359.5	Höfmann, Lea; Wölper, Christoph; Huber, Alexander; Siera, Hannah; Daniliuc, Constantin G.; Haberhauer, Gebhard; Voskuhl, Jens Tuning carbonyl interactions in dibenzochalcogenophenes CrystEngComm, 2025, 27, 2902-2909
7250223	CIF	C19 H12 O Te	C 1 2/c 1	19.67; 8.7121; 16.4513 90; 91.509; 90	2818.2	Höfmann, Lea; Wölper, Christoph; Huber, Alexander; Siera, Hannah; Daniliuc, Constantin G.; Haberhauer, Gebhard; Voskuhl, Jens Tuning carbonyl interactions in dibenzochalcogenophenes CrystEngComm, 2025, 27, 2902-2909
7250224	CIF	C19 H12 O Te	P 1 21/c 1	10.6483; 20.468; 13.8551 90; 110.162; 90	2834.7	Höfmann, Lea; Wölper, Christoph; Huber, Alexander; Siera, Hannah; Daniliuc, Constantin G.; Haberhauer, Gebhard; Voskuhl, Jens Tuning carbonyl interactions in dibenzochalcogenophenes CrystEngComm, 2025, 27, 2902-2909
7250225	CIF	Ca2 Ga1.87 Mn0.13 O6 Sr	F 4 3 2	15.4894; 15.4894; 15.4894 90; 90; 90	3716.2	Hikita, Wataru; Iwaki, Masato; Watanabe, Mizuki; Uematsu, Kazuyoshi; Sato, Mineo; Toda, Kenji Novel efficient deep-red emitting phosphor SrCa<sub>2</sub>Ga<sub>2</sub>O<sub>6</sub>:Mn<sup>4+</sup> with tululite-related structure. RSC advances, 2025, 15, 7039-7049
7250226	CIF	C20 H34 Au O9 P S	P 1 21 1	10.0684; 8.1314; 16.131 90; 106.247; 90	1267.91	Ziemniak, Marcin; Trzybiński, Damian; Pawlędzio, Sylwia; Filipowicz, Gabriela; Pająk-Tarnacka, Beata; Priebe, Waldemar; Woźniak, Krzysztof Crystal structure and polymorphic forms of auranofin revisited. RSC advances, 2025, 15, 10378-10389
7250227	CIF	C10 H7 Br N4 O	P 1 21/c 1	12.7279; 11.0272; 7.6786 90; 95.347; 90	1073.03	Perumal, Karuppaiah; Shanthi, Markabandhu; Hemamalini, Vijayakumar; Shankar, Bhaskaran; Ramesh, Subburethinam Catalyst-free synthesis of 1,2,3-triazole-N-oxide derivatives using tert-butyl nitrite: a novel strategy and synthetic applications RSC Advances, 2025, 15, 10574-10581
7250228	CIF	C34 H39 N3 Ni O6	P 1 21 1	9.4105; 11.8727; 14.0699 90; 95.565; 90	1564.59	Khachatryan, Emma A.; Sahakyan, Lusine Yu.; Tovmasyan, Anna S.; Melikyan, Gagik S.; Panosyan, Henrik A.; Mkrtchyan, Anna F.; Shibata, Norio; Malkov, Andrei V.; Saghyan, Ashot S. Sequential Michael addition, cross-coupling and [3 + 2] cycloaddition reactions within the coordination sphere of chiral Ni(ii) Schiff base complexes derived from dehydroamino acids: pathways to the asymmetric synthesis of structurally diverse O-substituted serine and threonine analogs RSC Advances, 2025, 15, 10558-10564
7250229	CIF	C28 H18 I4 N4	P n a 21	22.6222; 5.514; 23.3117 90; 90; 90	2907.9	Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives CrystEngComm, 2025, 27, 3247-3256
7250230	CIF	C28 H18 I4 N4	P -1	7.9279; 9.8606; 10.2238 103.116; 111.147; 98.956	700.7	Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives CrystEngComm, 2025, 27, 3247-3256
7250231	CIF	C40 H34 N4 O2	P -1	11.111; 11.12; 13.583 75.672; 74.72; 83.333	1566.2	Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives CrystEngComm, 2025, 27, 3247-3256
7250232	CIF	C38 H42 I2 N6	P -1	11.442; 11.5769; 14.7255 105.644; 95.194; 90.202	1869.8	Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives CrystEngComm, 2025, 27, 3247-3256
7250233	CIF	C38 H42 I2 N6	P -1	10.325; 11.902; 16.282 83.689; 72.592; 77.625	1862.6	Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives CrystEngComm, 2025, 27, 3247-3256
7250234	CIF	C32 H26 N4	P 1 21 1	11.8378; 7.6253; 14.277 90; 96.549; 90	1280.3	Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives CrystEngComm, 2025, 27, 3247-3256
7250235	CIF	C32 H26 N4	P 21 21 21	7.7573; 17.2615; 19.0749 90; 90; 90	2554.2	Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives CrystEngComm, 2025, 27, 3247-3256
7250236	CIF	C40 H26 N4	P 1 21/n 1	9.3691; 10.7182; 29.938 90; 94.932; 90	2995.2	Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives CrystEngComm, 2025, 27, 3247-3256
7250237	CIF	C32 H26 N4	P -1	10.3829; 10.67; 13.3452 100.606; 94.261; 113.76	1311.79	Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives CrystEngComm, 2025, 27, 3247-3256
7250238	CIF	C40 H26 N4	C 1 2/c 1	26.8941; 13.4775; 18.9193 90; 121.399; 90	5853.4	Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives CrystEngComm, 2025, 27, 3247-3256
7250239	CIF	C40 H34 N4 O2	C c c 2	9.9995; 21.219; 15.4151 90; 90; 90	3270.8	Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives CrystEngComm, 2025, 27, 3247-3256
7250240	CIF	C24 H19 N5 O2	P -1	8.9156; 9.8977; 12.03 78.532; 88.488; 83.005	1032.6	Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives CrystEngComm, 2025, 27, 3247-3256
7250241	CIF	C38 H42 I2 N6	P 1 21/n 1	7.9713; 15.8311; 29.59 90; 95.268; 90	3718.3	Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives CrystEngComm, 2025, 27, 3247-3256
7250242	CIF	C38 H30 N4 O2	P 1 21/c 1	10.5848; 26.074; 11.1341 90; 94.403; 90	3063.8	Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives CrystEngComm, 2025, 27, 3247-3256
7250243	CIF	C24 H19 N5 O2	P 1 21/c 1	28.913; 4.8255; 14.858 90; 104.627; 90	2005.8	Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives CrystEngComm, 2025, 27, 3247-3256
7250244	CIF	C38 H30 N4 O2	P 1 21/c 1	15.271; 9.8156; 20.758 90; 98.675; 90	3075.9	Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives CrystEngComm, 2025, 27, 3247-3256
7250245	CIF	C40 H34 N4 O2	P b c n	18.426; 14.516; 24.976 90; 90; 90	6680	Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives CrystEngComm, 2025, 27, 3247-3256
7250246	CIF	C20 H35 Co N10 O12 S4	F d d d :2	14.9159; 18.4135; 22.7514 90; 90; 90	6248.8	Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Chumakov, Yurii; Baca, Svetlana G. Multi-component supramolecular compounds containing hexaamminecobalt(iii) cations and aromatic sulfonic acid derivatives CrystEngComm, 2025, 27, 3018-3031
7250247	CIF	C14 H32 Cl Co N10 O6 S2	P -1	7.4363; 8.2733; 11.5486 110.849; 94.899; 90.864	660.76	Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Chumakov, Yurii; Baca, Svetlana G. Multi-component supramolecular compounds containing hexaamminecobalt(iii) cations and aromatic sulfonic acid derivatives CrystEngComm, 2025, 27, 3018-3031
7250248	CIF	C14 H26 Cl Co K2 N6 O10 S2	I 4/m	14.3265; 14.3265; 24.7933 90; 90; 90	5088.8	Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Chumakov, Yurii; Baca, Svetlana G. Multi-component supramolecular compounds containing hexaamminecobalt(iii) cations and aromatic sulfonic acid derivatives CrystEngComm, 2025, 27, 3018-3031
7250249	CIF	C7 H53 Cl2 Co2 N12 O16 S2	P -1	7.4383; 12.0736; 19.2979 100.1; 98.038; 91.656	1686.9	Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Chumakov, Yurii; Baca, Svetlana G. Multi-component supramolecular compounds containing hexaamminecobalt(iii) cations and aromatic sulfonic acid derivatives CrystEngComm, 2025, 27, 3018-3031
7250250	CIF	C7 H24 Cl Co N6 O9 S	P n m a	25.0699; 7.2512; 10.8265 90; 90; 90	1968.12	Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Chumakov, Yurii; Baca, Svetlana G. Multi-component supramolecular compounds containing hexaamminecobalt(iii) cations and aromatic sulfonic acid derivatives CrystEngComm, 2025, 27, 3018-3031
7250251	CIF	C7 H22 Cl2 Co N6 Na O5.69 S	P 1 21/m 1	14.489; 6.871; 17.692 90; 97.903; 90	1744.6	Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Chumakov, Yurii; Baca, Svetlana G. Multi-component supramolecular compounds containing hexaamminecobalt(iii) cations and aromatic sulfonic acid derivatives CrystEngComm, 2025, 27, 3018-3031
7250252	CIF	C36 H46 Co N14 O14 S2	P -1	12.9654; 13.1933; 16.5514 83.432; 72.016; 68.761	2510	Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Chumakov, Yurii; Baca, Svetlana G. Multi-component supramolecular compounds containing hexaamminecobalt(iii) cations and aromatic sulfonic acid derivatives CrystEngComm, 2025, 27, 3018-3031
7250253	CIF	C12 H15 N3 O9	P 1 21/n 1	8.6758; 15.7644; 10.951 90; 96.07; 90	1489.36	Shukla, Vibhav; Kumar, Astakala Anil; Haq, Nazrul; Tothadi, Sinu; Siddiqui, Kafeel Ahmad A dual-function crystalline sensor: tris(2-carboxyethyl) isocyanurate for ultra-sensitive detection and sustainable degradation of tetracycline antibiotics CrystEngComm, 2025, 27, 3326-3344
7250254	CIF	C6 H18 I3 N4 P	C m c e	14.1583; 14.4657; 14.2413 90; 90; 90	2916.76	Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations CrystEngComm, 2025, 27, 2824-2829
7250255	CIF	C5.71 H16.54 I3 N4 P	C m c e	14.2452; 14.5204; 14.3176 90; 90; 90	2961.54	Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations CrystEngComm, 2025, 27, 2824-2829
7250256	CIF	C6 H18 I3 N4 P	C m c e	14.1395; 14.4681; 14.2255 90; 90; 90	2910.13	Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations CrystEngComm, 2025, 27, 2824-2829
7250257	CIF	C14 Br3 N	P m -3 m	7.0146; 7.0146; 7.0146 90; 90; 90	345.15	Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations CrystEngComm, 2025, 27, 2824-2829
7250258	CIF	C12.6 Br3 N	P m -3 m	6.9497; 6.9497; 6.9497 90; 90; 90	335.66	Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations CrystEngComm, 2025, 27, 2824-2829
7250259	CIF	C12.3 Br3 N	P m -3 m	7.0028; 7.0028; 7.0028 90; 90; 90	343.41	Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations CrystEngComm, 2025, 27, 2824-2829
7250260	CIF	C6 H16 B3 F12 N3.9 P1.1	P 42/n :2	10.4847; 10.4847; 14.8469 90; 90; 90	1632.1	Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations CrystEngComm, 2025, 27, 2824-2829
7250261	CIF	C6 H18 Br3 N4 P	P n a 21	13.7974; 9.9483; 9.661 90; 90; 90	1326.08	Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations CrystEngComm, 2025, 27, 2824-2829
7250262	CIF	C6 H18 Br3 N4 P	P n a 21	13.7604; 9.9259; 9.6119 90; 90; 90	1312.84	Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations CrystEngComm, 2025, 27, 2824-2829
7250263	CIF	C6 H18 Br3 N4 P	P n a 21	13.7833; 9.9419; 9.6453 90; 90; 90	1321.72	Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations CrystEngComm, 2025, 27, 2824-2829
7250264	CIF	C12.46 Br3 N	P m -3 m	6.9822; 6.9822; 6.9822 90; 90; 90	340.39	Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations CrystEngComm, 2025, 27, 2824-2829
7250265	CIF	C6 H18 Br3 N4 P	P n a 21	13.8322; 9.9354; 9.7055 90; 90; 90	1333.81	Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations CrystEngComm, 2025, 27, 2824-2829
7250266	CIF	C6 H18 Br3 N4 P	P n a 21	13.818; 9.9528; 9.6881 90; 90; 90	1332.38	Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations CrystEngComm, 2025, 27, 2824-2829
7250267	CIF	C6 H18 Br3 N4 P	P n a 21	13.8355; 9.9594; 9.7006 90; 90; 90	1336.68	Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations CrystEngComm, 2025, 27, 2824-2829
7250268	CIF	C6 H18 Br3 N4 P	P n a 21	13.8098; 9.9529; 9.6797 90; 90; 90	1330.45	Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations CrystEngComm, 2025, 27, 2824-2829
7250269	CIF	C6 H18 Br3 N4 P	P n a 21	13.8318; 9.9497; 9.7003 90; 90; 90	1334.98	Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations CrystEngComm, 2025, 27, 2824-2829
7250270	CIF	C8 H24.02 B4 F16 N5.34 P1.32	P 42/n :2	10.3573; 10.3573; 14.6992 90; 90; 90	1576.84	Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations CrystEngComm, 2025, 27, 2824-2829
7250271	CIF	C12 H12 N2 O	P 21 21 21	6.0306; 10.3023; 16.1959 90; 90; 90	1006.24	Takaishi, Kazuto; Morishita, Hajime; Iwaki, Kosuke; Ema, Tadashi Deoxygenative dual CO2 conversions: methylenation and switchable N-formylation/N-methylation of tryptamines Green Chemistry, 2025, 27, 5359-5365
7250272	CIF	C12 H14 N2	P 1 21/n 1	12.4491; 6.2533; 13.2178 90; 108.117; 90	977.97	Takaishi, Kazuto; Morishita, Hajime; Iwaki, Kosuke; Ema, Tadashi Deoxygenative dual CO2 conversions: methylenation and switchable N-formylation/N-methylation of tryptamines Green Chemistry, 2025, 27, 5359-5365
7250273	CIF	C6 H10 O5	P 21 21 21	6.6617; 7.5013; 13.278 90; 90; 90	663.52	Li, Xianda; Shao, Zhongping; Shan, Haozhe; Liu, Li Evolution process of humins derived from cellulose by a humin extraction approach Green Chemistry, 2025, 27, 5322-5331
7250274	CIF	C18 H15 N O2	P 1 21/c 1	16.533; 5.8462; 14.439 90; 102.45; 90	1362.8	Panova, Elizaveta V.; Voronina, Julia K.; Azizova, Asmet N.; Tutar, Ömer Faruk; Mahmoudi, Ghodrat; Safin, Damir A. Polymorphism phenomenon of the naphthyl-containing N-salicylidenaniline derivative: syntheses, crystal structures, optical properties, and theoretical calculations CrystEngComm, 2025, 27, 3502-3516
7250275	CIF	C18 H15 N O2	P b c a	6.1678; 14.2905; 31.0405 90; 90; 90	2735.9	Panova, Elizaveta V.; Voronina, Julia K.; Azizova, Asmet N.; Tutar, Ömer Faruk; Mahmoudi, Ghodrat; Safin, Damir A. Polymorphism phenomenon of the naphthyl-containing N-salicylidenaniline derivative: syntheses, crystal structures, optical properties, and theoretical calculations CrystEngComm, 2025, 27, 3502-3516
7250276	CIF	C318 H432 Cl2 Mn6 N12 Na12 O44 S14	C 1 2/c 1	34.6511; 20.6506; 24.2274 90; 100.104; 90	17067.4	Wilson, Lucinda R. B.; Dalgarno, Scott J.; Brechin, Euan K. Calix[4]arene-supported trigonal and square prisms of Mn and Na CrystEngComm, 2025, 27, 3041-3047
7250277	CIF	C212.2 H274.6 Cl2 Mn6 N14 Na6 O32	P -1	17.5535; 18.1099; 20.511 91.09; 110.519; 109.895	5670.9	Wilson, Lucinda R. B.; Dalgarno, Scott J.; Brechin, Euan K. Calix[4]arene-supported trigonal and square prisms of Mn and Na CrystEngComm, 2025, 27, 3041-3047
7250278	CIF	C21 H18 N9 Nd S3	P -1	7.9319; 12.9305; 13.0436 100.991; 98.039; 103.863	1250.61	Gil, Yolimar; Maldonado, María José; Costa de Santana, Ricardo; Vega, Andres; Fuentealba, Pablo; Aravena, Daniel Improvement of electronic structure calculations for the interpretation of emission spectrum of NdIII complexes Physical Chemistry Chemical Physics, 2025
7250279	CIF	Cs Ga Ge3 S8	P 1 21/c 1	6.3479; 16.2352; 6.8246 90; 95.902; 90	699.61	Wang, Yue; Li, Xuezhong; Lou, Zihao; Shi, Yongfang Cationic substitution engineering induces a new quaternary chalcogenide in the A–MIIIA–MIVA–Q system for optical crystal applications CrystEngComm, 2025, 27, 3378-3385
7250280	CIF	C26 H22 N2 O3 S	P -1	8.8126; 16.8927; 19.2951 65.104; 82.811; 84.903	2582.9	Wang, Min; Jian, Yu-Rui; Fu, Xin-Yu; Xiang, Wei; Zha, Xiao; Zheng, Hong-Yu; Cui, Bao-Dong; Zhang, Yun; Mou, Xue-Qing; Chen, Yong-Zheng Photoinduced tunable fluoroalkylation or sulfonylation/cyclization of methindolylstyrenes via electron donor–acceptor complexes Green Chemistry, 2025, 27, 5433-5441
7250281	CIF	C23 H20 N O3 S2	P b c a	11.0229; 16.8862; 21.3037 90; 90; 90	3965.36	Wang, Min; Jian, Yu-Rui; Fu, Xin-Yu; Xiang, Wei; Zha, Xiao; Zheng, Hong-Yu; Cui, Bao-Dong; Zhang, Yun; Mou, Xue-Qing; Chen, Yong-Zheng Photoinduced tunable fluoroalkylation or sulfonylation/cyclization of methindolylstyrenes via electron donor–acceptor complexes Green Chemistry, 2025, 27, 5433-5441
7250282	CIF	C15 H10 N4	P 1 21/c 1	13.2953; 5.5726; 16.8008 90; 111.958; 90	1154.46	Elzein, Ahmed; Al Jomeh, Ghadah Abdullah S.; Tizzard, Graham J.; Coles, Simon J.; Banti, Christina N.; Hadjikakou, Sotiris K.; Kostakis, George E. Investigating the antimicrobial activity of 1-heteroaryl benzotriazole silver compounds RSC Advances, 2025, 15, 11431-11440
7250283	CIF	C11 H7 Ag F3 N5 O3 S	P 1 21/c 1	8.732; 8.5637; 18.9845 90; 100.714; 90	1394.88	Elzein, Ahmed; Al Jomeh, Ghadah Abdullah S.; Tizzard, Graham J.; Coles, Simon J.; Banti, Christina N.; Hadjikakou, Sotiris K.; Kostakis, George E. Investigating the antimicrobial activity of 1-heteroaryl benzotriazole silver compounds RSC Advances, 2025, 15, 11431-11440
7250284	CIF	C32 H20 Ag2 F6 N8 O6 S2	P -1	7.9014; 9.4771; 12.3812 107.539; 101.878; 101.752	829.29	Elzein, Ahmed; Al Jomeh, Ghadah Abdullah S.; Tizzard, Graham J.; Coles, Simon J.; Banti, Christina N.; Hadjikakou, Sotiris K.; Kostakis, George E. Investigating the antimicrobial activity of 1-heteroaryl benzotriazole silver compounds RSC Advances, 2025, 15, 11431-11440
7250285	CIF	C24 H16 Ag2 F6 N8 O6 S2	P -1	7.9475; 9.9919; 10.3949 73.309; 70.444; 69.597	715.332	Elzein, Ahmed; Al Jomeh, Ghadah Abdullah S.; Tizzard, Graham J.; Coles, Simon J.; Banti, Christina N.; Hadjikakou, Sotiris K.; Kostakis, George E. Investigating the antimicrobial activity of 1-heteroaryl benzotriazole silver compounds RSC Advances, 2025, 15, 11431-11440
7250286	CIF	C30 H20 Ag N9 O3	I 1 a 1	26.5565; 3.81; 25.8471 90; 105.206; 90	2523.66	Elzein, Ahmed; Al Jomeh, Ghadah Abdullah S.; Tizzard, Graham J.; Coles, Simon J.; Banti, Christina N.; Hadjikakou, Sotiris K.; Kostakis, George E. Investigating the antimicrobial activity of 1-heteroaryl benzotriazole silver compounds RSC Advances, 2025, 15, 11431-11440
7250287	CIF	C36 H28 Cl F12 N6 O8 Sm	P 1 21/c 1	10.7; 20.3; 21.11 90; 95.6; 90	4563.4	Al Riyami, Najat A.; Husband, John S.; Al Shihhi, Amira; Sivakumar, Nallusamy; Al-Rasbi, Nawal K. Self-assembly of Sm(iii) Schiff base complexes: crystal structure, luminescence and antibacterial inhibition activity CrystEngComm, 2025, 27, 3061-3074
7250288	CIF	C52 H46 F6 N3 O11 Sm	P -1	11.659; 14.662; 17.291 66.38; 81.58; 78.42	2646	Al Riyami, Najat A.; Husband, John S.; Al Shihhi, Amira; Sivakumar, Nallusamy; Al-Rasbi, Nawal K. Self-assembly of Sm(iii) Schiff base complexes: crystal structure, luminescence and antibacterial inhibition activity CrystEngComm, 2025, 27, 3061-3074
7250289	CIF	C16 H15 N3 S	P n a 21	11.7569; 9.4089; 26.936 90; 90; 90	2979.6	Rani, Payal; Chahal, Sandhya; Ranolia, Anju; Kiran,; Kumar, Devendra; Kataria, Ramesh; Kumar, Parvin; Singh, Devender; Duhan, Anil; Jha, Vibhu; Wahajuddin, Muhammad; Joshi, Gaurav; Sindhu, Jayant Design and development of sulfenylated 5-aminopyrazoles as inhibitors of acetylcholinesterase and butyrylcholinesterase: exploring the implication for Aβ1–42 aggregation inhibition in Alzheimer's disease RSC Medicinal Chemistry, 2025
7250290	CIF	C15 H11 N O4 S	P 1 21/c 1	7.8063; 13.4781; 12.8156 90; 92.279; 90	1347.32	Sahu, Satya Narayan; Shaw, Ranjay; Yadav, Saroj; Althagafi, Ismail; Upadhyay, Manmohan Krishna; Pratap, Ramendra A green approach towards the on-water synthesis of multifunctional 3-amino/hydroxy thieno[3,2-c]pyrans RSC Advances, 2025, 15, 12117-12124
7250291	CIF	C49 H34 Br4 Cd2 N6 O11	P -1	10.8812; 12.4352; 20.2017 96.673; 94.802; 90.381	2705.07	Song, Jian-Fei; Chen, Jia-Li; Guo, Gui-Quan; Zhu, Hong-Yan; Zhou, Si-Ying; Zheng, Xin-Rong; Zhang, Xiu-Qing A Cd-based complex as a multifunctional fluorescent probe for the detection of Fe3+, ceftriaxone sodium (CRO) and l-aspartic acid (l-Asp) CrystEngComm, 2025, 27, 3537-3544
7250292	CIF	C12 H19 Cl3 O8	P 21 21 21	7.3167; 12.0459; 18.1855 90; 90; 90	1602.8	Zhou, Dongyu; Li, Yongshang; Jie, Huimin; Lei, Jiayan; Chen, Zi'ang; Chen, Xiaoping; Cui, Can; Luo, Huadong; Chen, Jingjing; Li, Haohong; Zheng, Huidong Intermittent ultrasound-assisted anti-solvent crystallization for sucralose production with ultra-low aspect ratio and larger crystal size CrystEngComm, 2025, 27, 3492-3501
7250293	CIF	C12 H19 Cl3 O8	P 21 21 21	7.2843; 12.0048; 18.0766 90; 90; 90	1580.7	Zhou, Dongyu; Li, Yongshang; Jie, Huimin; Lei, Jiayan; Chen, Zi'ang; Chen, Xiaoping; Cui, Can; Luo, Huadong; Chen, Jingjing; Li, Haohong; Zheng, Huidong Intermittent ultrasound-assisted anti-solvent crystallization for sucralose production with ultra-low aspect ratio and larger crystal size CrystEngComm, 2025, 27, 3492-3501
7250294	CIF	C12 H19 Cl3 O8	P 21 21 21	12.041; 7.3141; 18.158 90; 90; 90	1599.2	Zhou, Dongyu; Li, Yongshang; Jie, Huimin; Lei, Jiayan; Chen, Zi'ang; Chen, Xiaoping; Cui, Can; Luo, Huadong; Chen, Jingjing; Li, Haohong; Zheng, Huidong Intermittent ultrasound-assisted anti-solvent crystallization for sucralose production with ultra-low aspect ratio and larger crystal size CrystEngComm, 2025, 27, 3492-3501
7250295	CIF	C12 H19 Cl3 O8	P 21 21 21	7.2691; 11.947; 17.987 90; 90; 90	1562.1	Zhou, Dongyu; Li, Yongshang; Jie, Huimin; Lei, Jiayan; Chen, Zi'ang; Chen, Xiaoping; Cui, Can; Luo, Huadong; Chen, Jingjing; Li, Haohong; Zheng, Huidong Intermittent ultrasound-assisted anti-solvent crystallization for sucralose production with ultra-low aspect ratio and larger crystal size CrystEngComm, 2025, 27, 3492-3501
7250296	CIF	C20 H17 F3 N2 O4	P -1	7.2308; 10.2533; 12.8367 73.334; 76.375; 73.236	860.78	Tawell, Hugh W.; Robinson, William; Li, Yuqi; Tizzard, Graham J.; Coles, Simon J.; Bhambra, Avninder S.; Edgar, Mark; Weaver, George W. Synthesis of fluorinated 3-aminobenzofurans via a tandem SNAr-cyclocondensation strategy RSC Advances, 2025, 15, 12843-12853
7250297	CIF	C21 H18 Br2 N3 O3 Re	P 1 21/c 1	11.7322; 11.2485; 17.8809 90; 104.108; 90	2288.56	Chafin, Ryan; Sujan, Majharul Islam; Parkin, Sean; Jurss, Jonah W.; Huckaba, Aron J. Light-driven CO2 reduction with substituted imidazole-pyridine Re catalysts favoring formic acid production RSC Advances, 2025, 15, 12547-12556
7250298	CIF	C21 H19 Br N3 O3 Re	P b c a	14.4135; 13.9657; 19.9434 90; 90; 90	4014.5	Chafin, Ryan; Sujan, Majharul Islam; Parkin, Sean; Jurss, Jonah W.; Huckaba, Aron J. Light-driven CO2 reduction with substituted imidazole-pyridine Re catalysts favoring formic acid production RSC Advances, 2025, 15, 12547-12556
7250299	CIF	C15 H39 Bi2 Br12 N3	P 21 21 21	9.1942; 11.9957; 35.471 90; 90; 90	3912.1	Ben Elhaj, Yassine; Hajlaoui, Fadhel; Karoui, Karim; Allain, Magali; Mercier, Nicolas; Kozma, Erika; Botta, Chiara; Zouari, Nabil Novel lead-free bismuth-based perovskite-like (BrC5H13N)3Bi2Br9: synthesis, structural investigations and optoelectronic properties RSC Advances, 2025, 15, 12834-12842
7250300	CIF	C38 H38 N10 O4	P n a 21	26.336; 9.3587; 15.4039 90; 90; 90	3796.6	Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions CrystEngComm, 2025, 27, 3552-3559
7250301	CIF	C30 H22 N10	P -1	8.2859; 8.7094; 11.086 102.35; 100.096; 105.742	728.67	Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions CrystEngComm, 2025, 27, 3552-3559
7250302	CIF	C34 H28 N12	P 1 21/c 1	11.1575; 8.9502; 16.065 90; 90.969; 90	1604.05	Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions CrystEngComm, 2025, 27, 3552-3559
7250303	CIF	C37 H30 N10	P 1 21/c 1	11.6712; 18.7282; 24.0317 90; 103.377; 90	5110.35	Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions CrystEngComm, 2025, 27, 3552-3559
7250304	CIF	C31 H24 Cl2 N10	C 1 2/c 1	14.1431; 9.8855; 22.1824 90; 106.036; 90	2980.7	Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions CrystEngComm, 2025, 27, 3552-3559
7250305	CIF	C54 H42 N10 O2	P -1	9.6542; 11.4847; 11.5991 112.246; 95.182; 103.22	1136.24	Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions CrystEngComm, 2025, 27, 3552-3559
7250306	CIF	C34 H30 Cl4 N10	P 1 21/c 1	12.2866; 8.6175; 16.7215 90; 90.982; 90	1770.21	Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions CrystEngComm, 2025, 27, 3552-3559
7250307	CIF	C36 H27 I N10	P -1	8.175; 9.1048; 11.3499 81.725; 77.867; 76.129	797.93	Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions CrystEngComm, 2025, 27, 3552-3559
7250308	CIF	C36 H26 Cl2 N10	P 1 21/c 1	11.7987; 19.0987; 23.8997 90; 103.244; 90	5242.3	Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions CrystEngComm, 2025, 27, 3552-3559
7250309	CIF	C40 H32 N12	P -1	9.3409; 12.7905; 16.1963 70.868; 83.072; 82.513	1806.3	Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions CrystEngComm, 2025, 27, 3552-3559
7250310	CIF	C38 H38 N10 O2	P 1 21/n 1	9.0161; 12.198; 16.1054 90; 99.256; 90	1748.18	Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions CrystEngComm, 2025, 27, 3552-3559
7250311	CIF	C36 H36 N12 O2	P 1 21/n 1	9.0545; 12.3215; 16.3699 90; 92.908; 90	1823.96	Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions CrystEngComm, 2025, 27, 3552-3559
7250312	CIF	C54 H46 N10	P -1	10.4303; 11.1097; 11.7866 65.92; 69.939; 85.587	1168.1	Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions CrystEngComm, 2025, 27, 3552-3559
7250313	CIF	C46 H38 N10 S4	P -1	10.4879; 10.8573; 11.2117 68.012; 68.117; 86.081	1094.75	Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions CrystEngComm, 2025, 27, 3552-3559
7250314	CIF	C36 H34 N10 O2	P 1 21/n 1	8.7836; 12.5914; 15.6251 90; 96.763; 90	1716.08	Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions CrystEngComm, 2025, 27, 3552-3559
7250315	CIF	C36 H27 Cl N10	P -1	8.1115; 8.9633; 11.383 82.417; 78.205; 77.833	788.51	Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions CrystEngComm, 2025, 27, 3552-3559
7250316	CIF	C30 H22 N10	P -1	8.1539; 8.5097; 10.9361 101.144; 101.548; 102.714	702.52	Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions CrystEngComm, 2025, 27, 3552-3559
7250317	CIF	Al3.43 Na8.72 Ni2.58 O32 P8	C c c m	6.3892; 19.6003; 10.357 90; 90; 90	1297.01	Yakubovich, Olga; Kiriukhina, Galina; Manokhina, Elizaveta; Volkov, Anatoly; Dimitrova, Olga; Shvanskaya, Larisa; Vasiliev, Alexander Na4.3Ni1.3Al1.7(PO4)4 structure transformation from stuffed α-CrPO4 type driven by the incorporation of Na: magnetism and ionic migration CrystEngComm, 2025, 27, 3576-3583
7250318	CIF	C30 H28 Ag2 F12 N8 P2	P -1	12.1446; 12.9632; 13.8516 68.204; 82.881; 66.617	1857.81	Das, Pooja; Halder, Soumi; Ray, Partha Pratim; Jana, Narayan Ch.; Sahu, Priyanka; Isab, Anvarhusein A.; Dandela, Rambabu; Natarajan, Ramalingam; Dinda, Joydev Single step site-selective reaction to construct a Ag2Au2 ← Ag4 supramolecular assembly from hybrid N-heterocyclic carbene (NHC): synthesis, structures and optoelectronic properties RSC Advances, 2025, 15, 13086-13094
7250319	CIF	C30 H28 Ag Au F12 N8 P2	P -1	12.2152; 12.9415; 13.7513 68.601; 82.896; 66.589	1856.8	Das, Pooja; Halder, Soumi; Ray, Partha Pratim; Jana, Narayan Ch.; Sahu, Priyanka; Isab, Anvarhusein A.; Dandela, Rambabu; Natarajan, Ramalingam; Dinda, Joydev Single step site-selective reaction to construct a Ag2Au2 ← Ag4 supramolecular assembly from hybrid N-heterocyclic carbene (NHC): synthesis, structures and optoelectronic properties RSC Advances, 2025, 15, 13086-13094
7250320	CIF	C12 H16 Cl5 In N2 O2	C 1 2/c 1	18.6884; 13.4365; 14.1149 90; 95.665; 90	3527.04	Kusumoto, Sotaro; Usuda, Kippei; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro Photosalient [2 + 2] photodimerization in metal chloride-templated organic crystals CrystEngComm, 2025, 27, 2993-2997
7250321	CIF	C24 H24 Bi2 Cl10 N4	C 1 2/c 1	18.4183; 12.9016; 13.7365 90; 93.937; 90	3256.4	Kusumoto, Sotaro; Usuda, Kippei; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro Photosalient [2 + 2] photodimerization in metal chloride-templated organic crystals CrystEngComm, 2025, 27, 2993-2997
7250322	CIF	C24 H32 Cl7 In N4 O4	P 4/n :2	13.3333; 13.3333; 8.8676 90; 90; 90	1576.45	Kusumoto, Sotaro; Usuda, Kippei; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro Photosalient [2 + 2] photodimerization in metal chloride-templated organic crystals CrystEngComm, 2025, 27, 2993-2997
7250323	CIF	C12 H12 Cl6 N2 Sn	I 1 2/a 1	7.1093; 14.9953; 32.2219 90; 91.529; 90	3433.8	Kusumoto, Sotaro; Usuda, Kippei; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro Photosalient [2 + 2] photodimerization in metal chloride-templated organic crystals CrystEngComm, 2025, 27, 2993-2997
7250324	CIF	C96 H100 Cl40 N16 O Sb8	C 2 2 21	11.2944; 37.3407; 15.8762 90; 90; 90	6695.6	Kusumoto, Sotaro; Usuda, Kippei; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro Photosalient [2 + 2] photodimerization in metal chloride-templated organic crystals CrystEngComm, 2025, 27, 2993-2997
7250325	CIF	C16 H18 Ag F6 N6 O2 P	P -1	7.517; 12.2366; 13.2587 115.091; 103.453; 90.178	1066.99	Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S. Hierarchical iodine(i) complexes of nicotinamide CrystEngComm, 2025, 27, 3295-3301
7250326	CIF	C18 H21 Ag F6 N7 O2 P	P -1	8.8771; 10.4273; 13.5713 83.66; 72.55; 84.305	1188.18	Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S. Hierarchical iodine(i) complexes of nicotinamide CrystEngComm, 2025, 27, 3295-3301
7250327	CIF	C15 H18 Ag F6 N4 O3 P	P 1 21/n 1	8.5896; 23.3498; 9.9286 90; 98.579; 90	1969.05	Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S. Hierarchical iodine(i) complexes of nicotinamide CrystEngComm, 2025, 27, 3295-3301
7250328	CIF	C12 H12 F6 I N4 O2 P	P 1 21/n 1	10.9019; 12.7011; 12.2951 90; 90.935; 90	1702.23	Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S. Hierarchical iodine(i) complexes of nicotinamide CrystEngComm, 2025, 27, 3295-3301
7250329	CIF	C18 H21 F6 I N7 O2 P	P -1	9.5048; 10.1625; 13.6806 80.767; 73.135; 85.06	1247.13	Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S. Hierarchical iodine(i) complexes of nicotinamide CrystEngComm, 2025, 27, 3295-3301
7250330	CIF	C36 H36 F6 I N12 O6 P	P -1	7.8185; 8.9131; 14.4394 91.167; 96.566; 99.162	986.12	Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S. Hierarchical iodine(i) complexes of nicotinamide CrystEngComm, 2025, 27, 3295-3301
7250331	CIF	C14 H15 F6 I N5 O2 P	P -1	9.6283; 10.63453; 11.1454 70.4689; 67.86; 80.4421	995.19	Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S. Hierarchical iodine(i) complexes of nicotinamide CrystEngComm, 2025, 27, 3295-3301
7250332	CIF	C12 H12 F6 I N4 O2 P	C 1 2/c 1	13.7177; 11.8709; 10.3823 90; 92.41; 90	1689.17	Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S. Hierarchical iodine(i) complexes of nicotinamide CrystEngComm, 2025, 27, 3295-3301
7250333	CIF	C15 H18 F6 I N4 O3 P	P -1	9.4467; 10.3832; 11.175 73.189; 88.64; 88.125	1048.6	Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S. Hierarchical iodine(i) complexes of nicotinamide CrystEngComm, 2025, 27, 3295-3301
7250334	CIF	C12.65 H14.6 F6 I N4 O2.65 P	P -1	7.1197; 10.6071; 14.9177 101.982; 103.673; 90.888	1068.33	Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S. Hierarchical iodine(i) complexes of nicotinamide CrystEngComm, 2025, 27, 3295-3301
7250335	CIF	C52 H50 N2 O	P -1	8.8102; 15.3893; 15.4064 99.086; 102.942; 101.262	1951.6	Trollip, Danica B.; Barton, Benita; Caira, Mino R.; Hosten, Eric C. The behaviour of two diamino-derived host compounds in cyclohexanone and isomeric methylcyclohexanones CrystEngComm, 2025, 27, 3279-3294
7250336	CIF	C52 H50 N2 O	P -1	8.8224; 15.4017; 15.5782 98.682; 104.994; 102.791	1944.6	Trollip, Danica B.; Barton, Benita; Caira, Mino R.; Hosten, Eric C. The behaviour of two diamino-derived host compounds in cyclohexanone and isomeric methylcyclohexanones CrystEngComm, 2025, 27, 3279-3294
7250337	CIF	C52 H50 N2 O	P -1	8.7792; 15.35; 15.553 98.013; 105.903; 101.393	1933.9	Trollip, Danica B.; Barton, Benita; Caira, Mino R.; Hosten, Eric C. The behaviour of two diamino-derived host compounds in cyclohexanone and isomeric methylcyclohexanones CrystEngComm, 2025, 27, 3279-3294
7250338	CIF	C49 H48 N2 O S2	P -1	9.2379; 9.5888; 12.5881 93.28; 101.236; 115.915	970.82	Trollip, Danica B.; Barton, Benita; Caira, Mino R.; Hosten, Eric C. The behaviour of two diamino-derived host compounds in cyclohexanone and isomeric methylcyclohexanones CrystEngComm, 2025, 27, 3279-3294
7250339	CIF	C51 H48 N2 O	P n a 21	15.1599; 11.4773; 21.8168 90; 90; 90	3796	Trollip, Danica B.; Barton, Benita; Caira, Mino R.; Hosten, Eric C. The behaviour of two diamino-derived host compounds in cyclohexanone and isomeric methylcyclohexanones CrystEngComm, 2025, 27, 3279-3294
7250340	CIF	C31 H49 Cl1.5 O4 P Yb0.5	I 41	24.1565; 24.1565; 12.1744 90; 90; 90	7104.2	Allia, Hadjer; Rodríguez Expósito, Ana; Palacios, Maria A.; Jiménez, Juan Ramón; Carneiro Neto, Albano; Moura Jr., Renaldo T.; Piccinelli, Fabio; Navarro, Amparo; Quesada-Moreno, María Mar; Colacio, Enrique Different mechanisms for lanthanide(III) sensitization and Yb-field-induced single-molecule magnet behaviour in a series of pentagonal bipyramidal and octahedral lanthanide complexes with axial phosphine oxide ligands. Physical Chemistry Chemical Physics, 2025
7250341	CIF	C59.4 H72.8 Cl3 Eu O4.35 P2	P -1	12.219; 15.2856; 15.8953 99.216; 101.397; 101.472	2790.01	Allia, Hadjer; Rodríguez Expósito, Ana; Palacios, Maria A.; Jiménez, Juan Ramón; Carneiro Neto, Albano; Moura Jr., Renaldo T.; Piccinelli, Fabio; Navarro, Amparo; Quesada-Moreno, María Mar; Colacio, Enrique Different mechanisms for lanthanide(III) sensitization and Yb-field-induced single-molecule magnet behaviour in a series of pentagonal bipyramidal and octahedral lanthanide complexes with axial phosphine oxide ligands. Physical Chemistry Chemical Physics, 2025
7250342	CIF	C58 H82 Cl3 Gd O3 P2	C 1 2/c 1	17.3; 11.6907; 25.6789 90; 93.668; 90	5182.9	Allia, Hadjer; Rodríguez Expósito, Ana; Palacios, Maria A.; Jiménez, Juan Ramón; Carneiro Neto, Albano; Moura Jr., Renaldo T.; Piccinelli, Fabio; Navarro, Amparo; Quesada-Moreno, María Mar; Colacio, Enrique Different mechanisms for lanthanide(III) sensitization and Yb-field-induced single-molecule magnet behaviour in a series of pentagonal bipyramidal and octahedral lanthanide complexes with axial phosphine oxide ligands. Physical Chemistry Chemical Physics, 2025
7250343	CIF	C61.2 H96.4 Cl3 Gd O7.8 P2	P 43	24.2107; 24.2107; 12.1822 90; 90; 90	7140.7	Allia, Hadjer; Rodríguez Expósito, Ana; Palacios, Maria A.; Jiménez, Juan Ramón; Carneiro Neto, Albano; Moura Jr., Renaldo T.; Piccinelli, Fabio; Navarro, Amparo; Quesada-Moreno, María Mar; Colacio, Enrique Different mechanisms for lanthanide(III) sensitization and Yb-field-induced single-molecule magnet behaviour in a series of pentagonal bipyramidal and octahedral lanthanide complexes with axial phosphine oxide ligands. Physical Chemistry Chemical Physics, 2025
7250344	CIF	C66 H109 Cl3 O10.5 P2 Tb	P 43	24.1557; 24.1557; 12.2 90; 90; 90	7118.7	Allia, Hadjer; Rodríguez Expósito, Ana; Palacios, Maria A.; Jiménez, Juan Ramón; Carneiro Neto, Albano; Moura Jr., Renaldo T.; Piccinelli, Fabio; Navarro, Amparo; Quesada-Moreno, María Mar; Colacio, Enrique Different mechanisms for lanthanide(III) sensitization and Yb-field-induced single-molecule magnet behaviour in a series of pentagonal bipyramidal and octahedral lanthanide complexes with axial phosphine oxide ligands. Physical Chemistry Chemical Physics, 2025
7250345	CIF	C42 H27 Br2 Co F12 N6 P2	P -1	8.9399; 10.9873; 22.232 85.466; 79.88; 72.11	2045.1	Huang, Long; Zhang, Kun-Hua; Sun, Ao-Na; Zhao, Bingshan; Shi, Le; Yang, Jiong; Shao, Dong A cobalt(ii)-terpyridine complex showing field-induced slow magnetic relaxation behavior via reverse spin-crossover CrystEngComm, 2025, 27, 3545-3551
7250346	CIF	C42 H32 Br2 Co F12 N6 O2 P2	P -1	9.1562; 13.07; 19.832 97.381; 99.953; 91.15	2316.1	Huang, Long; Zhang, Kun-Hua; Sun, Ao-Na; Zhao, Bingshan; Shi, Le; Yang, Jiong; Shao, Dong A cobalt(ii)-terpyridine complex showing field-induced slow magnetic relaxation behavior via reverse spin-crossover CrystEngComm, 2025, 27, 3545-3551
7250347	CIF	C19 H22 Cl2 N2 O2 S	C 1 2/c 1	26.9241; 7.5422; 21.1043 90; 106.909; 90	4100.3	Dowdell, Zachary T.; Peach, Austin A.; Purdie, John P.; Holmes, Sean T.; Watanabe, Lara K.; Rawson, Jeremy M.; Schurko, Robert W. Mechanochemical synthesis and 35Cl NMR crystallography of ionic cocrystals of phenothiazine drugs CrystEngComm, 2025, 27, 3752-3768
7250348	CIF	C19 H23 Cl2 N2 O2 S	C 1 2/c 1	26.8901; 7.5402; 21.1999 90; 106.365; 90	4124.3	Dowdell, Zachary T.; Peach, Austin A.; Purdie, John P.; Holmes, Sean T.; Watanabe, Lara K.; Rawson, Jeremy M.; Schurko, Robert W. Mechanochemical synthesis and 35Cl NMR crystallography of ionic cocrystals of phenothiazine drugs CrystEngComm, 2025, 27, 3752-3768
7250349	CIF	C10 H9 N3 O2	P b c a	5.5401; 21.2296; 31.9506 90; 90; 90	3757.84	Qin, Changsheng; Li, Chenxu; Gao, Fang; Wang, Jingfang; Zhang, Zhihua; Zhang, Shuai; Li, Xinyue; Sun, Yi; Hu, Meiqian; Wang, Shoucai; Ji, Fanghua; Jiang, Guangbin A photo-Fenton-like (trideutero)methylation reaction of N/O heterocycles with DMSO(-d6) induced by EDA complex photocatalysis Green Chemistry, 2025, 27, 6206-6212
7250350	CIF	C18 H20 Cl6 In N2 O2	P -1	7.4718; 8.1648; 10.7809 76.573; 80.404; 66.171	583.22	Khachroum, Hajer; Ben Rhaiem, Abdallah; Abdelbaky, Mohammed S. M.; Dammak, Mohamed; García-Granda, Santiago Synthesis, crystal structure, vibrational study, optical characterization, Hirshfeld surface analysis and dielectric studies of a new indium-based hybrid material formulated as [(C<sub>9</sub>H<sub>8</sub>N)<sub>2</sub>(InCl<sub>6</sub>)·2(H<sub>2</sub>O)]. RSC advances, 2025, 15, 13628-13642
7250351	CIF	C10 H20 O4	P n a 21	15.9487; 7.4063; 9.5158 90; 90; 90	1124.01	Galvez, Carolina E.; Piro, Oscar E.; Echeverría, Gustavo A.; Vignesh, Krishnan; Thamotharan, Subbiah; Loandos, María del H.; Gil, Diego M. Supramolecular assembly mediated by hydrogen bonds and weak noncovalent interactions in two eucalyptol derivatives with potential antineoplastic activity: crystal structure, Hirshfeld surface analysis, DFT calculations and molecular docking analysis CrystEngComm, 2025, 27, 3806-3822
7250352	CIF	C12 H18 O4	P 21 21 21	7.7247; 8.6013; 18.5304 90; 90; 90	1231.21	Galvez, Carolina E.; Piro, Oscar E.; Echeverría, Gustavo A.; Vignesh, Krishnan; Thamotharan, Subbiah; Loandos, María del H.; Gil, Diego M. Supramolecular assembly mediated by hydrogen bonds and weak noncovalent interactions in two eucalyptol derivatives with potential antineoplastic activity: crystal structure, Hirshfeld surface analysis, DFT calculations and molecular docking analysis CrystEngComm, 2025, 27, 3806-3822
7250353	CIF	C19 H28 F3 I N6 P2 Pd	C 1 2/c 1	18.983; 12.971; 10.549 90; 112.82; 90	2394.2	Lorenzon, Tommaso; Vescovo, Maria; Maiullari, Michele; Tonon, Giovanni; Conceição, Nuno Reis; Carabineiro, Sónia A. C.; Mahmoud, Abdallah G.; Dietl, Martin C.; Demitri, Nicola; Orian, Laura; Nogara, Pablo A.; Caligiuri, Isabella; Rizzolio, Flavio; Hashmi, A. Stephen K.; Visentin, Fabiano; Scattolin, Thomas Influence of the charge of 1,3,5-triaza-7-phosphaadamantane-based ligands on the anticancer activity of organopalladium complexes RSC Advances, 2025, 15, 14058-14071
7250354	CIF	C18 H28 I N7 O2 P2 Pd	P -1	10.593; 10.717; 11.282 88.76; 74.42; 74.02	1184.2	Lorenzon, Tommaso; Vescovo, Maria; Maiullari, Michele; Tonon, Giovanni; Conceição, Nuno Reis; Carabineiro, Sónia A. C.; Mahmoud, Abdallah G.; Dietl, Martin C.; Demitri, Nicola; Orian, Laura; Nogara, Pablo A.; Caligiuri, Isabella; Rizzolio, Flavio; Hashmi, A. Stephen K.; Visentin, Fabiano; Scattolin, Thomas Influence of the charge of 1,3,5-triaza-7-phosphaadamantane-based ligands on the anticancer activity of organopalladium complexes RSC Advances, 2025, 15, 14058-14071
7250355	CIF	C29 H34.34 N O4.67	P 1 21/n 1	10.1175; 11.0197; 22.3483 90; 90.674; 90	2491.5	Parida, Sonali Priyadarshini; Mohapatra, Seetaram; Mohapatra, Suhasini; Behera, Tankadhar; Nayak, Sabita; Sahoo, Chita Ranjan Design and synthesis of tetrahydrochromeno[3,4-e]isoindole-1,3(2H,3aH)-dione derivatives via the Diels–Alder reaction: molecular docking, antibacterial activity, ADMET analysis and photophysical properties RSC Advances, 2025, 15, 14499-14517
7250356	CIF	C13 H9 Br2 N O	P 1 c 1	10.3111; 4.75675; 11.9502 90; 92.026; 90	585.76	Zhang, Zaixiang; Li, Xin; Liu, Junyu; Wang, Manman; Yang, Yang; Wang, Deyin Similar polymorphism of derivatives of salicylideneanilines with varying halo-substitution CrystEngComm, 2025, 27, 3594-3604
7250357	CIF	C13 H9 Br Cl N O	P 1 21/c 1	10.1482; 4.7544; 11.9871 90; 92.605; 90	577.76	Zhang, Zaixiang; Li, Xin; Liu, Junyu; Wang, Manman; Yang, Yang; Wang, Deyin Similar polymorphism of derivatives of salicylideneanilines with varying halo-substitution CrystEngComm, 2025, 27, 3594-3604
7250358	CIF	C13 H9 Br Cl N O	P 1 c 1	10.1919; 4.7204; 11.9836 90; 92.458; 90	576	Zhang, Zaixiang; Li, Xin; Liu, Junyu; Wang, Manman; Yang, Yang; Wang, Deyin Similar polymorphism of derivatives of salicylideneanilines with varying halo-substitution CrystEngComm, 2025, 27, 3594-3604
7250359	CIF	C23 H17 Br F N3 O3	P b c a	11.9327; 11.8361; 29.118 90; 90; 90	4112.5	Mehreen, Saba; Ali, Muhammad Imran; Muntha, Sidra tul; Zia, Mehwash; Ullah, Aman; Ullah, Saeed; Khan, Ajmal; Hussain, Javid; Anwar, Muhammad U.; Al-Harrasi, Ahmed; Naseer, Muhammad Moazzam Synthesis, structural insights and bio-evaluation of N-phenoxyethylisatin hydrazones as potent α-glucosidase inhibitors RSC Advances, 2025, 15, 14717-14729
7250360	CIF	C12 H17 N4 O2	C 1 2/c 1	27.51; 12.545; 17.886 90; 120.486; 90	5319.3	Letyagin, Gleb; Chernavin, Platon A.; Maryunina, Kseniya; Tolstikov, Svyatoslav E.; Tretyakov, Evgeny V.; Romanenko, Galina; Bogomyakov, Artem Specific features of the spin density distribution and magnetic properties in a series of pyrazolyl-substituted nitronyl nitroxides: a magnetochemical and quantum chemical study Physical Chemistry Chemical Physics, 2025
7250361	CIF	C12 H18 Br N4 O2	P -1	6.439; 11.1141; 11.5261 62.947; 76.883; 89.549	711.1	Letyagin, Gleb; Chernavin, Platon A.; Maryunina, Kseniya; Tolstikov, Svyatoslav E.; Tretyakov, Evgeny V.; Romanenko, Galina; Bogomyakov, Artem Specific features of the spin density distribution and magnetic properties in a series of pyrazolyl-substituted nitronyl nitroxides: a magnetochemical and quantum chemical study Physical Chemistry Chemical Physics, 2025
7250362	CIF	C13 H21 N4 O2	P b c a	11.2774; 13.9041; 18.6426 90; 90; 90	2923.2	Letyagin, Gleb; Chernavin, Platon A.; Maryunina, Kseniya; Tolstikov, Svyatoslav E.; Tretyakov, Evgeny V.; Romanenko, Galina; Bogomyakov, Artem Specific features of the spin density distribution and magnetic properties in a series of pyrazolyl-substituted nitronyl nitroxides: a magnetochemical and quantum chemical study Physical Chemistry Chemical Physics, 2025
7250363	CIF	C14 H23 N4 O2	P 1 21/c 1	7.3953; 12.4423; 17.4655 90; 98.508; 90	1589.39	Letyagin, Gleb; Chernavin, Platon A.; Maryunina, Kseniya; Tolstikov, Svyatoslav E.; Tretyakov, Evgeny V.; Romanenko, Galina; Bogomyakov, Artem Specific features of the spin density distribution and magnetic properties in a series of pyrazolyl-substituted nitronyl nitroxides: a magnetochemical and quantum chemical study Physical Chemistry Chemical Physics, 2025
7250364	CIF	C13 H19 N4 O2	P b c n	11.4485; 16.5913; 14.7557 90; 90; 90	2802.8	Letyagin, Gleb; Chernavin, Platon A.; Maryunina, Kseniya; Tolstikov, Svyatoslav E.; Tretyakov, Evgeny V.; Romanenko, Galina; Bogomyakov, Artem Specific features of the spin density distribution and magnetic properties in a series of pyrazolyl-substituted nitronyl nitroxides: a magnetochemical and quantum chemical study Physical Chemistry Chemical Physics, 2025
7250365	CIF	C14 H23 N4 O2	P 1 21/n 1	13.9705; 7.5726; 15.0705 90; 93.979; 90	1590.5	Letyagin, Gleb; Chernavin, Platon A.; Maryunina, Kseniya; Tolstikov, Svyatoslav E.; Tretyakov, Evgeny V.; Romanenko, Galina; Bogomyakov, Artem Specific features of the spin density distribution and magnetic properties in a series of pyrazolyl-substituted nitronyl nitroxides: a magnetochemical and quantum chemical study Physical Chemistry Chemical Physics, 2025
7250366	CIF	C14 H21 N4 O2	P 1 21/c 1	12.2645; 11.4078; 12.3143 90; 118.58; 90	1512.97	Letyagin, Gleb; Chernavin, Platon A.; Maryunina, Kseniya; Tolstikov, Svyatoslav E.; Tretyakov, Evgeny V.; Romanenko, Galina; Bogomyakov, Artem Specific features of the spin density distribution and magnetic properties in a series of pyrazolyl-substituted nitronyl nitroxides: a magnetochemical and quantum chemical study Physical Chemistry Chemical Physics, 2025
7250367	CIF	C14 H23 N4 O2	P 1 21/n 1	7.5557; 21.6258; 9.621 90; 95.616; 90	1564.51	Letyagin, Gleb; Chernavin, Platon A.; Maryunina, Kseniya; Tolstikov, Svyatoslav E.; Tretyakov, Evgeny V.; Romanenko, Galina; Bogomyakov, Artem Specific features of the spin density distribution and magnetic properties in a series of pyrazolyl-substituted nitronyl nitroxides: a magnetochemical and quantum chemical study Physical Chemistry Chemical Physics, 2025
7250368	CIF	C10 H8 Ag N3 O3	P n n a	7.1705; 13.2915; 11.4194 90; 90; 90	1088.35	Dar, Rouf Ali; Hashmi, Athar Adil Synthesis, structural analysis, and properties of silver-based 1D and 3D coordination polymers CrystEngComm, 2025, 27, 4090-4101
7250369	CIF	C17 H9 Ag2 O4	P -1	5.7471; 10.678; 12.9823 98.574; 96.369; 97.329	774.46	Dar, Rouf Ali; Hashmi, Athar Adil Synthesis, structural analysis, and properties of silver-based 1D and 3D coordination polymers CrystEngComm, 2025, 27, 4090-4101
7250370	CIF	C18 H10 S4	P b c a	9.2957; 10.6694; 15.5017 90; 90; 90	1537.45	Guo, Caiyun; Wang, Yibin; Zhang, Chenghao; Liu, Hui; Han, Liangliang Optical and crystalline properties of benzo[1,2-b:4,5-b′]dithiophene derivatives RSC Advances, 2025, 15, 15604-15608
7250371	CIF	C22 H18 S4	P 1 21/c 1	9.8882; 9.5312; 10.5265 90; 101.118; 90	973.47	Guo, Caiyun; Wang, Yibin; Zhang, Chenghao; Liu, Hui; Han, Liangliang Optical and crystalline properties of benzo[1,2-b:4,5-b′]dithiophene derivatives RSC Advances, 2025, 15, 15604-15608
7250372	CIF	C22 H18 O2 S4	P 1 21/c 1	10.3935; 9.611; 10.5517 90; 104.165; 90	1021.98	Guo, Caiyun; Wang, Yibin; Zhang, Chenghao; Liu, Hui; Han, Liangliang Optical and crystalline properties of benzo[1,2-b:4,5-b′]dithiophene derivatives RSC Advances, 2025, 15, 15604-15608
7250373	CIF	C20 H14 O2 S4	P 1 21/c 1	9.5302; 8.6654; 12.0363 90; 104.263; 90	963.35	Guo, Caiyun; Wang, Yibin; Zhang, Chenghao; Liu, Hui; Han, Liangliang Optical and crystalline properties of benzo[1,2-b:4,5-b′]dithiophene derivatives RSC Advances, 2025, 15, 15604-15608
7250374	CIF	C27 H39 Cl0 Co2 N6 O5 S4	P 1 21/n 1	14.7901; 15.1095; 16.3477 90; 105.661; 90	3517.6	Bera, Susovan; Bhunia, Sudip; Gomila, Rosa M.; Frontera, Antonio; Chattopadhyay, Shouvik Synthesis, structural characterization, and DFT investigation of a mixed-valence Co(iii)/Co(ii) complex stabilized by supramolecular interactions RSC Advances, 2025, 15, 15530-15538
7250375	CIF	C18 H19 N O4	P 1 21/c 1	10.3767; 20.8762; 8.854 90; 113.457; 90	1759.5	Vala, Disha P.; Socha, Bhavesh N.; Collins, Victoria G.; Parmar, Mehul P.; Patel, Chirag D.; Bhalodiya, Savan S.; Patel, Subham G.; Banerjee, Sourav; Patel, Hitendra M. Insights into the synthesis and structural properties of pro-chiral 2-acetyl-N-aryl-2-(prop-2-yn-1-yl)pent-4-ynamides/-2-allyl-4-enamide derivatives through kinetics and energy frameworks RSC Advances, 2025, 15, 15712-15723
7250376	CIF	C65 H88 N8 O29 Zn7	P -3 c 1	14.064; 14.064; 23.056 90; 90; 120	3949.4	Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F. Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state CrystEngComm, 2025, 27, 3823-3832
7250377	CIF	C59 H76 Co7 N8 O29	P -3 c 1	14.1; 14.1; 22.702 90; 90; 120	3908.7	Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F. Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state CrystEngComm, 2025, 27, 3823-3832
7250378	CIF	C63 H78 N8 Ni7 O29	P -3 c 1	13.8241; 13.8241; 23.4073 90; 90; 120	3873.96	Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F. Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state CrystEngComm, 2025, 27, 3823-3832
7250379	CIF	C59 H76 N8 Ni7 O29	P -3 c 1	13.8183; 13.8183; 23.1848 90; 90; 120	3833.9	Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F. Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state CrystEngComm, 2025, 27, 3823-3832
7250380	CIF	C59 H79 Co7 N8 O30.5	P -3 c 1	14.098; 14.098; 22.706 90; 90; 120	3908.3	Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F. Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state CrystEngComm, 2025, 27, 3823-3832
7250381	CIF	C67 H82 N8 O30 Zn7	P -3 c 1	14.01; 14.01; 23.002 90; 90; 120	3909.96	Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F. Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state CrystEngComm, 2025, 27, 3823-3832
7250382	CIF	C68 H100 Co7 N8 O32	P -3 c 1	14.1434; 14.1434; 22.9392 90; 90; 120	3973.9	Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F. Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state CrystEngComm, 2025, 27, 3823-3832
7250383	CIF	C66 H98 Co7 N8 O33	P -3 c 1	14.0528; 14.0528; 23.008 90; 90; 120	3934.91	Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F. Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state CrystEngComm, 2025, 27, 3823-3832
7250384	CIF	C60 H78 N8 Ni7 O24	P -3 c 1	13.8113; 13.8113; 23.2351 90; 90; 120	3838.35	Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F. Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state CrystEngComm, 2025, 27, 3823-3832
7250385	CIF	C14 H11 N O2 S	P 1 21/c 1	8.3991; 11.6602; 12.1285 90; 103.325; 90	1155.8	Kutasevich, Alexandra G.; Nikitina, Evgeniya V.; Novoselskaya, Yana S.; Grigoriev, Mikhail S.; Brazhkin, Vadim V.; Kia, Reza; Zubkov, Fedor I.; Gomila, Rosa M.; Frontera, Antonio Synthesis and structure of 7-thiabicyclo[2.2.1]heptenes: functional complementarity of the sulfur atom and the ethenyl fragment CrystEngComm, 2025, 27, 3947-3956
7250386	CIF	C14 H11 N O2 S	P 1 21/n 1	10.7276; 6.3628; 17.39 90; 93.131; 90	1185.2	Kutasevich, Alexandra G.; Nikitina, Evgeniya V.; Novoselskaya, Yana S.; Grigoriev, Mikhail S.; Brazhkin, Vadim V.; Kia, Reza; Zubkov, Fedor I.; Gomila, Rosa M.; Frontera, Antonio Synthesis and structure of 7-thiabicyclo[2.2.1]heptenes: functional complementarity of the sulfur atom and the ethenyl fragment CrystEngComm, 2025, 27, 3947-3956
7250387	CIF	C14 H11 N O2 S	R 3 :H	17.5842; 17.5842; 9.8889 90; 90; 120	2648	Kutasevich, Alexandra G.; Nikitina, Evgeniya V.; Novoselskaya, Yana S.; Grigoriev, Mikhail S.; Brazhkin, Vadim V.; Kia, Reza; Zubkov, Fedor I.; Gomila, Rosa M.; Frontera, Antonio Synthesis and structure of 7-thiabicyclo[2.2.1]heptenes: functional complementarity of the sulfur atom and the ethenyl fragment CrystEngComm, 2025, 27, 3947-3956
7250388	CIF	C17 H15 N3	P 21 21 21	6.1053; 13.209; 16.219 90; 90; 90	1308	Xu, Dongping; Jin, Lizhen; Huang, Mengya; Zhang, Wu Visible-light-induced selenium-mediated cascade cyclization of 2-isocyanobenzonitriles with secondary amines to access indole-fused polycyclics Green Chemistry, 2025, 27, 6880-6886
7250389	CIF	C30 H26 N6 Se2	P 1 21/c 1	18.961; 9.692; 16.557 90; 113.01; 90	2800.6	Xu, Dongping; Jin, Lizhen; Huang, Mengya; Zhang, Wu Visible-light-induced selenium-mediated cascade cyclization of 2-isocyanobenzonitriles with secondary amines to access indole-fused polycyclics Green Chemistry, 2025, 27, 6880-6886
7250390	CIF	C26 H24 Cl3 N3	P 1 21/c 1	13.095; 13.262; 14.744 90; 104.812; 90	2475.4	Xu, Dongping; Jin, Lizhen; Huang, Mengya; Zhang, Wu Visible-light-induced selenium-mediated cascade cyclization of 2-isocyanobenzonitriles with secondary amines to access indole-fused polycyclics Green Chemistry, 2025, 27, 6880-6886
7250391	CIF	C20 H21 N3	P 1 21/c 1	9.3995; 11.6864; 15.4113 90; 95.098; 90	1686.2	Xu, Dongping; Jin, Lizhen; Huang, Mengya; Zhang, Wu Visible-light-induced selenium-mediated cascade cyclization of 2-isocyanobenzonitriles with secondary amines to access indole-fused polycyclics Green Chemistry, 2025, 27, 6880-6886
7250392	CIF	C12 H30 Br6 N2 Zn	P 1 2/c 1	23.572; 9.4987; 15.8731 90; 91.44; 90	3552.9	Rebhi, Yosra; Dakhlaoui, Imen; Karoui, Karim; Hajlaoui, Fadhel; Drissi, Nidhal; Zaghrioui, Mustapha; Autret, Cecile; Audebrand, Nathalie; Dorcet, Vincent; Jomni, Fethi Halogen-regulating synthesis of a novel semiconductor hybrid material [(CH3)3N(CH2)3Br]2ZnBr4 with high-temperature phase transition Physical Chemistry Chemical Physics, 2025
7250393	CIF	C8 H14 N4 O3	P -1	8.0489; 8.2275; 8.8795 65.458; 78.475; 73.773	511.22	Mal, Susital; Franco, Chris H. J.; Kumar, Binay; Kirillov, Alexander M.; Das, Subrata Exploring uracil derivatives: synthesis, crystal structure insights, and antibacterial activity CrystEngComm, 2025, 27, 3456-3466
7250394	CIF	C7 H12 N2 O6	P -1	5.1105; 7.7802; 13.1733 77.211; 89.735; 76.363	495.76	Mal, Susital; Franco, Chris H. J.; Kumar, Binay; Kirillov, Alexander M.; Das, Subrata Exploring uracil derivatives: synthesis, crystal structure insights, and antibacterial activity CrystEngComm, 2025, 27, 3456-3466
7250395	CIF	C41 H34 Cl N2 Ni P	P 21 21 21	9.9018; 16.9395; 19.7237 90; 90; 90	3308.29	Li, Jin-Ge; Qiu, Bing-Bo; Jiang, Hui; Song, Mao-Ping; Gong, Jun-Fang Chiral PCN pincer Ni(ii) complex-catalyzed asymmetric hydrophosphination of 2-alkenoylpyridines with diphenylphosphine RSC Advances, 2025, 15, 15904-15918
7250396	CIF	C42 H36 Cl3 N2 Ni O2 P S	P 21 21 21	10.22391; 13.9906; 26.8623 90; 90; 90	3842.35	Li, Jin-Ge; Qiu, Bing-Bo; Jiang, Hui; Song, Mao-Ping; Gong, Jun-Fang Chiral PCN pincer Ni(ii) complex-catalyzed asymmetric hydrophosphination of 2-alkenoylpyridines with diphenylphosphine RSC Advances, 2025, 15, 15904-15918
7250397	CIF	C34 H28 Cl N2 Ni O P	C 1 2 1	28.7861; 9.8408; 22.2091 90; 109.059; 90	5946.5	Li, Jin-Ge; Qiu, Bing-Bo; Jiang, Hui; Song, Mao-Ping; Gong, Jun-Fang Chiral PCN pincer Ni(ii) complex-catalyzed asymmetric hydrophosphination of 2-alkenoylpyridines with diphenylphosphine RSC Advances, 2025, 15, 15904-15918
7250398	CIF	B2 Ca2 O5	P 1 21/c 1	3.6489; 5.2142; 11.601 90; 92.336; 90	220.538	Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S. Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase CrystEngComm, 2025, 27, 4196-4208
7250399	CIF	B Ca O	P 1 21/c 1	3.6486; 5.2056; 11.5352 90; 92.607; 90	218.86	Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S. Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase CrystEngComm, 2025, 27, 4196-4208
7250400	CIF	B Ca O	P 1 21/c 1	3.6444; 5.2008; 11.54 90; 92.62; 90	218.5	Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S. Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase CrystEngComm, 2025, 27, 4196-4208
7250401	CIF	B2 Ca2 O5	P 1 21/c 1	3.6429; 5.2104; 11.6055 90; 92.277; 90	220.11	Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S. Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase CrystEngComm, 2025, 27, 4196-4208
7250402	CIF	B2 Ca2 O5	P 1 21/c 1	3.6595; 5.2202; 11.589 90; 92.198; 90	221.226	Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S. Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase CrystEngComm, 2025, 27, 4196-4208
7250403	CIF	B2 Ca2 O5	P 1 21/c 1	3.6696; 5.2199; 11.6056 90; 92.172; 90	222.145	Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S. Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase CrystEngComm, 2025, 27, 4196-4208
7250404	CIF	B Ca O	P 1 21/c 1	3.6501; 5.2064; 11.5393 90; 92.563; 90	219.07	Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S. Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase CrystEngComm, 2025, 27, 4196-4208
7250405	CIF	B2 Ca2 O5	P 1 21/c 1	3.6124; 5.1861; 11.5194 90; 92.945; 90	215.52	Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S. Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase CrystEngComm, 2025, 27, 4196-4208
7250406	CIF	B Ca O	P 1 21/c 1	3.6283; 5.194; 11.5264 90; 92.814; 90	216.96	Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S. Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase CrystEngComm, 2025, 27, 4196-4208
7250407	CIF	B2 Ca2 O5	P 1 21/c 1	3.6402; 5.2095; 11.6161 90; 92.301; 90	220.106	Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S. Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase CrystEngComm, 2025, 27, 4196-4208
7250408	CIF	B2 Ca2 O5	P 1 21/c 1	3.6368; 5.2083; 11.6259 90; 92.257; 90	220.042	Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S. Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase CrystEngComm, 2025, 27, 4196-4208
7250409	CIF	B2 Ca2 O5	P 1 21/c 1	3.6396; 5.2104; 11.6194 90; 92.307; 90	220.169	Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S. Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase CrystEngComm, 2025, 27, 4196-4208
7250410	CIF	C22 H18 O2	P 1 21/n 1	8.8617; 6.9703; 27.1759 90; 100.016; 90	1653.04	Kim, Han Byeol; Han, Dong Kyun; Lee, Jae Kyun; Han, Seo-Jung Electrochemical dearomatization of 2-naphthols for C–O bond formation RSC Advances, 2025, 15, 16276-16280
7250411	CIF	C18 H38 N24 O16 S3	P 1 21/n 1	16.8237; 12.2192; 18.3904 90; 106.431; 90	3626.2	Tiwari, Ranjay K.; Kumar, Jitendra; Behera, J. N. Influence of organic and alkali metal cations over a crystal lattice of the benzenetrihydroxy trisulfonate ligand CrystEngComm, 2025, 27, 4116-4124
7250412	CIF	C8 H19 N6 Na3 O14 S3	C m c e	12.8318; 12.185; 25.4468 90; 90; 90	3978.7	Tiwari, Ranjay K.; Kumar, Jitendra; Behera, J. N. Influence of organic and alkali metal cations over a crystal lattice of the benzenetrihydroxy trisulfonate ligand CrystEngComm, 2025, 27, 4116-4124
7250413	CIF	C6 H7 K3 O14 S3	C m c e	8.8233; 19.8695; 18.6688 90; 90; 90	3272.9	Tiwari, Ranjay K.; Kumar, Jitendra; Behera, J. N. Influence of organic and alkali metal cations over a crystal lattice of the benzenetrihydroxy trisulfonate ligand CrystEngComm, 2025, 27, 4116-4124
7250414	CIF	C52.3 H66.9 O12.15	P 21 21 21	12.6137; 16.6885; 23.7719 90; 90; 90	5004.07	Gee, Anthony P.; Gianga, Tiberiu-M.; Kociok-Köhn, Gabriele; Pantoş, G. Dan; Lewis, Simon E. Synthesis and resolution of a 1,1′-biazulene analogue of BINOL RSC Advances, 2025, 15, 14881-14892
7250415	CIF	C52 H66 O12	P 21 21 21	12.4714; 17.3833; 22.554 90; 90; 90	4889.6	Gee, Anthony P.; Gianga, Tiberiu-M.; Kociok-Köhn, Gabriele; Pantoş, G. Dan; Lewis, Simon E. Synthesis and resolution of a 1,1′-biazulene analogue of BINOL RSC Advances, 2025, 15, 14881-14892
7250416	CIF	C30 H30 O8	P 21 21 21	7.0912; 9.4533; 37.611 90; 90; 90	2521.3	Gee, Anthony P.; Gianga, Tiberiu-M.; Kociok-Köhn, Gabriele; Pantoş, G. Dan; Lewis, Simon E. Synthesis and resolution of a 1,1′-biazulene analogue of BINOL RSC Advances, 2025, 15, 14881-14892
7250417	CIF	C18 H19 N3 O	P 1 21/c 1	12.8541; 8.4683; 15.3887 90; 110.066; 90	1573.41	Cao, Xi-Ying; Li, Zhong-Hao; Cao, Xiao-Hui; Li, Zong; Pang, Chu-Ming; Zhang, Zu-Qi; Wang, Zhao-Yang Multifunctional 3-cyanopyridine compounds: synthesis based on a tandem reaction with 100% atom economy and their applications Green Chemistry, 2025, 27, 7300-7306
7250418	CIF	C17 H16 Cl N3 O	P 1 21 1	7.1028; 8.8291; 12.7916 90; 95.609; 90	798.3	Cao, Xi-Ying; Li, Zhong-Hao; Cao, Xiao-Hui; Li, Zong; Pang, Chu-Ming; Zhang, Zu-Qi; Wang, Zhao-Yang Multifunctional 3-cyanopyridine compounds: synthesis based on a tandem reaction with 100% atom economy and their applications Green Chemistry, 2025, 27, 7300-7306
7250419	CIF	C14 H12 N2 O	P 1 21/c 1	9.0084; 8.7513; 15.7194 90; 99.743; 90	1221.37	Li, Kai; Li, Tong; Zhang, Yupu; Yang, Hao; Sun, Qi; Wang, Zhiyong Switching between α-alkenylation and α-alkylation of nitriles by coupling multiple electrochemical methods Green Chemistry, 2025, 27, 6734-6740
7250420	CIF	C12 H14 N2 O2 S	P -1	7.5524; 8.9178; 9.358 83.619; 80.454; 66.215	568.07	Lei, Zhi-Long; Tan, Dan; Qin, Jin-Tao; Meng, Xiu-Jin; Cui, Fei-Hu; Tang, Hai-Tao; Pan, Ying-Ming Electrochemical selective incorporation of SO2 to synthesize fused-ring framework compounds Green Chemistry, 2025, 27, 6825-6830
7250421	CIF	C13 H16 N2 O5 S2	P 1 21/c 1	11.2743; 24.3447; 11.0893 90; 96.945; 90	3021.34	Lei, Zhi-Long; Tan, Dan; Qin, Jin-Tao; Meng, Xiu-Jin; Cui, Fei-Hu; Tang, Hai-Tao; Pan, Ying-Ming Electrochemical selective incorporation of SO2 to synthesize fused-ring framework compounds Green Chemistry, 2025, 27, 6825-6830
7250422	CIF	C18 H27 Cu I N3 Si2	P c a 21	16.7137; 10.0411; 13.9102 90; 90; 90	2334.46	Sato, Kei-ichi; Hattori, Mineyuki; Yamanoi, Yoshinori CP/MAS NMR studies on binding environment of CH3CN in Cu(i) complexes with disilane-bridged bis(methylpyridine) ligands RSC Advances, 2025, 15, 16968-16972
7250423	CIF	C36 H54 Cu4 I4 N6 Si4	P -1	9.3981; 10.1021; 14.9219 81.667; 74.599; 64.227	1229.25	Sato, Kei-ichi; Hattori, Mineyuki; Yamanoi, Yoshinori CP/MAS NMR studies on binding environment of CH3CN in Cu(i) complexes with disilane-bridged bis(methylpyridine) ligands RSC Advances, 2025, 15, 16968-16972
7250424	CIF	C32 H48 Cu4 I4 N4 Si4	P 1 21/n 1	9.8145; 14.001; 16.7363 90; 98.366; 90	2275.3	Sato, Kei-ichi; Hattori, Mineyuki; Yamanoi, Yoshinori CP/MAS NMR studies on binding environment of CH3CN in Cu(i) complexes with disilane-bridged bis(methylpyridine) ligands RSC Advances, 2025, 15, 16968-16972
7250425	CIF	C70 H36 Cl18 N4 O12 Tb2	P 1 21/c 1	14.6656; 13.5195; 23.2999 90; 107; 90	4417.8	Cai, Ziyan; Li, Ping; Yu, Xiaobo; Lai, Lin; Yu, Cilin; Hu, Yuan; Gao, Xiaolei; Zeng, Chenghui Visual sensing Ni2+ in real samples with test paper based on a new dinuclear terbium complex CrystEngComm, 2025, 27, 4304-4311
7250426	CIF	C108 H114 Cu3 N12 O60 S6	C 1 2/c 1	53.485; 11.0654; 22.52 90; 113.926; 90	12183	Saeed, Maham; Sharif, Shahzad; Shah, Javed Hussain; Afzal, Tayyaba Tur Rehman; Shahbaz, Muhammad; Shehzad, Azhar Mehmood; Shahzad, Ayesha; Şahin, Onur; Shahzad, Sundas Synergetic interplay of a nitrogen- and sulfur-rich copper bi-linker 2D cubic-layered MOF composite with MXene for improved hybrid supercapacitor application RSC Advances, 2025, 15, 17130-17141
7250427	CIF	C19.92 H11.83 Cl1.83 F N5 O3	P 21 21 21	16.7979; 22.4214; 35.2924 90; 90; 90	13292.3	Song, Luying; Sun, Yuhong; An, Renbo; Wang, Liming; Jin, Ying Enantioselective synthesis of spiro[indoline-3,1′-pyrazolo[1,2-b]phthalazine] derivatives via an organocatalytic three-component cascade reaction RSC Advances, 2025, 15, 17031-17035
7250428	CIF	C2 H4 Eu Na O9 S	P 1 21/c 1	6.5974; 13.245; 8.8593 90; 92.415; 90	773.46	Yuan, Yue; Huang, Liangliang; Lu, Yang; Shao, Xin; Bi, Yanfeng A dual-function europium sulfite–oxalate complex for proton conduction and selection of Fe3+ ions CrystEngComm, 2025, 27, 4844-4850
7250429	CIF	C20 H28 I2 N6 O4 Zn	P 1 21/n 1	9.6781; 9.9149; 27.66 90; 99.307; 90	2619.2	Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation CrystEngComm, 2025, 27, 4404-4414
7250430	CIF	C28 H28 Br2 Cd N8 O4	P -1	7.53; 8.876; 12.919 71.439; 74.215; 68.987	751.9	Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation CrystEngComm, 2025, 27, 4404-4414
7250431	CIF	C18 H22 Hg2 I4 N4 O2	C 1 2/c 1	38.197; 4.6289; 17.4981 90; 116.519; 90	2768.3	Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation CrystEngComm, 2025, 27, 4404-4414
7250432	CIF	C14 H14 Cd I2 N4 O2	P -1	8.9922; 11.0373; 11.2843 93.85; 112.858; 111.598	930.25	Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation CrystEngComm, 2025, 27, 4404-4414
7250433	CIF	C14 H14 I2 N4 O2 Zn	P -1	8.61; 10.55; 10.87 94.51; 112.25; 110.1	833	Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation CrystEngComm, 2025, 27, 4404-4414
7250434	CIF	C14 H14 Hg I2 N4 O2	P 1 2/n 1	8.5935; 5.121; 21.3841 90; 99.26; 90	928.79	Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation CrystEngComm, 2025, 27, 4404-4414
7250435	CIF	C30 H28 Br2 Cd2 N8 O8	P 1 21/c 1	8.263; 24.8667; 9.4656 90; 115.88; 90	1749.87	Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation CrystEngComm, 2025, 27, 4404-4414
7250436	CIF	C14 H14 Hg I2 N4 O2	P -1	8.9249; 11.0499; 11.3056 94.773; 112.746; 110.951	927.97	Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation CrystEngComm, 2025, 27, 4404-4414
7250437	CIF	C16 H22 Cd N4 O10	C 1 2/c 1	17.859; 13.892; 10.4606 90; 124.251; 90	2145.2	Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation CrystEngComm, 2025, 27, 4404-4414
7250438	CIF	C28 H28 Br2 Cd N8 O4	P 1 21/c 1	8.1474; 22.1923; 9.4033 90; 113.027; 90	1564.73	Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation CrystEngComm, 2025, 27, 4404-4414
7250439	CIF	C18 H22 Cd I2 N4 O2	C 1 c 1	12.0191; 13.5251; 14.9707 90; 109.607; 90	2292.5	Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation CrystEngComm, 2025, 27, 4404-4414
7250440	CIF	C13 H15 N3 S	P b c a	14.3166; 10.3015; 17.545 90; 90; 90	2587.58	Zhou, Honghao; Zhang, Yike; Ma, Liting; Liu, Xiangyang; Zhang, Chun; Tong, Feifei; Hu, Dandan; Zhang, Jun-Qi; Yang, Jianguo Electrochemically driven tandem addition–cyclization: synthesis of thiadiazinanes and thiophosphonates Green Chemistry, 2025, 27, 7336-7343
7250441	CIF	C18 H16 O3	P -1	8.9241; 9.106; 10.2978 70.545; 74.245; 74.481	744.8	He, Yicheng; Unnikrishnan, Krishnapriya Anattil; Yin, Wenhao; Kuniyil, Rositha; Du, Haifeng; Guo, Wusheng B(C6F5)3-catalysed cyclic carbonate editing Green Chemistry, 2025, 27, 6741-6746
7250442	CIF	C45 H30 N15 Ni3 O56 W12	C 1 2/c 1	43.284; 20.552; 26.903 90; 126.944; 90	19127	Jiao, Jiachen; Zhang, Chuanbao; Sun, Hui; Hu, Haina; Xu, Ziqing; Zhao, Junwei; Han, Qiuxia; Ma, Pengtao Photocatalytic oxidation of various C–H bonds by a polyoxometalate nanocluster-dominated compartmentalized metal–organic framework Green Chemistry, 2025, 27, 7608-7619
7250443	CIF	C5 H13 N2 O5 P	P 21 21 21	6.1084; 8.9906; 15.92 90; 90; 90	874.3	Kwain, Samuel; Morris, James W. D.; McKeon, Jillian Elisa Milanes; Roster, Colm P.; Noori, Monireh; Gibbs, Aysiah R.; Stevenson III, Robert L; McMillen, Colin; Dominy, Brian N.; Morris, James C.; Whitehead, Daniel Charles Assessment of the structure-activity relationship of analogs of the Naegleria fowleri enolase inhibitor HEX RSC Medicinal Chemistry, 2025
7250444	CIF	C9 H10 N O5 P	P 1 21/n 1	8.3552; 6.4722; 18.7224 90; 90.8761; 90	1012.32	Kwain, Samuel; Morris, James W. D.; McKeon, Jillian Elisa Milanes; Roster, Colm P.; Noori, Monireh; Gibbs, Aysiah R.; Stevenson III, Robert L; McMillen, Colin; Dominy, Brian N.; Morris, James C.; Whitehead, Daniel Charles Assessment of the structure-activity relationship of analogs of the Naegleria fowleri enolase inhibitor HEX RSC Medicinal Chemistry, 2025
7250445	CIF	C60 H39 N	P -1	7.9644; 13.679; 22.3497 79.967; 86.095; 85.56	2386.8	Lin, Ling; Li, Yulong; Lin, Youran; Huang, Yu; Li, Mingke; Yu, Yue; Ying, Lei; Ma, Yuguang Manipulating Excited States of Non-Doped Deep Blue Emitter by Adjusting the Intramolecular Torsion Angle Physical Chemistry Chemical Physics, 2025
7250446	CIF	C60 H39 N	P -1	10.198; 24.749; 25.865 63.934; 89.248; 81.575	5791.2	Lin, Ling; Li, Yulong; Lin, Youran; Huang, Yu; Li, Mingke; Yu, Yue; Ying, Lei; Ma, Yuguang Manipulating Excited States of Non-Doped Deep Blue Emitter by Adjusting the Intramolecular Torsion Angle Physical Chemistry Chemical Physics, 2025
7250447	CIF	C5 H14 Cl4 Cu N2	P 21 21 21	8.9767; 9.9167; 13.7275 90; 90; 90	1222	Zuo, Kang; Yu, Ruisi; Bao, Wei; Shao, Shuai; Cao, Qing-Ling; Du, Hao; Tian, Linna; Zhao, Jia-Jia; Chen, Li-Zhuang A stable and sensitive organic–inorganic hybrid reversible thermochromic material: [1-(2-fluoroethyl)piperazine]2[CuCl4] CrystEngComm, 2025, 27, 4707-4712
7250448	CIF	C6 H15 Cl4 Cu N2	P 21 21 21	7.5307; 9.9035; 17.459 90; 90; 90	1302.1	Zuo, Kang; Yu, Ruisi; Bao, Wei; Shao, Shuai; Cao, Qing-Ling; Du, Hao; Tian, Linna; Zhao, Jia-Jia; Chen, Li-Zhuang A stable and sensitive organic–inorganic hybrid reversible thermochromic material: [1-(2-fluoroethyl)piperazine]2[CuCl4] CrystEngComm, 2025, 27, 4707-4712
7250449	CIF	C6 H15 Cl4 Cu F N2	P 1 21/n 1	7.5451; 17.9299; 9.7675 90; 102.46; 90	1290.25	Zuo, Kang; Yu, Ruisi; Bao, Wei; Shao, Shuai; Cao, Qing-Ling; Du, Hao; Tian, Linna; Zhao, Jia-Jia; Chen, Li-Zhuang A stable and sensitive organic–inorganic hybrid reversible thermochromic material: [1-(2-fluoroethyl)piperazine]2[CuCl4] CrystEngComm, 2025, 27, 4707-4712
7250450	CIF	C36 H90 Dy1.44 Er0.56 N32 O63	R -3 :H	25.8207; 25.8207; 31.7971 90; 90; 120	18359.2	Rakhmanova, Mariana I.; Sukhikh, Taisiya S.; Andrienko, Irina V.; Kovalenko, Ekaterina A. Multicolor luminescence of supramolecular compounds based on mixed Dy-lanthanide complexes and cucurbit[6]uril for logic gate operation and WLED application. Physical chemistry chemical physics : PCCP, 2025
7250451	CIF	C36 H68 Dy0.66 N31 Nd1.33 O49	P -1	13.4485; 14.4739; 18.2996 73.751; 87.332; 87.813	3414.89	Rakhmanova, Mariana I.; Sukhikh, Taisiya S.; Andrienko, Irina V.; Kovalenko, Ekaterina A. Multicolor luminescence of supramolecular compounds based on mixed Dy-lanthanide complexes and cucurbit[6]uril for logic gate operation and WLED application. Physical chemistry chemical physics : PCCP, 2025
7250452	CIF	C36 H68 Dy0.38 Eu1.06 N31 O49 Tb0.56	P -1	13.4119; 14.4765; 18.2272 73.8275; 87.283; 87.7342	3393.8	Rakhmanova, Mariana I.; Sukhikh, Taisiya S.; Andrienko, Irina V.; Kovalenko, Ekaterina A. Multicolor luminescence of supramolecular compounds based on mixed Dy-lanthanide complexes and cucurbit[6]uril for logic gate operation and WLED application. Physical chemistry chemical physics : PCCP, 2025
7250453	CIF	C33 H31 N7 O9	P -1	8.214; 11.435; 17.873 101.983; 96.261; 101.317	1590.5	Singh, Abhay Pratap; Baruah, Jubaraj Bikash Ternary assembly of pyrazine 2,3-dicarboxylic acid with a ditopic amine CrystEngComm, 2025, 27, 4498-4507
7250454	CIF	C28 H33 N5 O7	P -1	10.504; 11.035; 12.357 72.607; 81.828; 87.451	1352.9	Singh, Abhay Pratap; Baruah, Jubaraj Bikash Ternary assembly of pyrazine 2,3-dicarboxylic acid with a ditopic amine CrystEngComm, 2025, 27, 4498-4507
7250455	CIF	C10 H17 Au Cl3 N3 O	P 1 21/c 1	16.1471; 8.4748; 11.769 90; 105.399; 90	1552.69	Buils, Jordi; Terrón, Angel; Barceló-Oliver, Miquel; Fiol, Juan Jesús; García-Raso, Angel; Gomila, Rosa M.; Frontera, Antonio Synthesis, X-ray characterization, and DFT calculations of gold–nucleobase complexes: on the importance of regium bonds and anion–π interactions CrystEngComm, 2025, 27, 4081-4089
7250456	CIF	C20 H36 Au Cl5 N6 O2	P -1	6.8686; 10.7183; 20.6 84.708; 86.889; 72.364	1438.6	Buils, Jordi; Terrón, Angel; Barceló-Oliver, Miquel; Fiol, Juan Jesús; García-Raso, Angel; Gomila, Rosa M.; Frontera, Antonio Synthesis, X-ray characterization, and DFT calculations of gold–nucleobase complexes: on the importance of regium bonds and anion–π interactions CrystEngComm, 2025, 27, 4081-4089
7250457	CIF	C14 H19 N O5	R -3 :H	62.932; 62.932; 5.69893 90; 90; 120	19546.4	Steenhaut, Timothy; Li, Xiao; Zhou, Fuli; Robeyns, Koen; Leyssens, Tom; Filinchuk, Yaroslav; Shemchuk, Oleksii A hydrogen-bonded organic framework with ultramicroporous channels based on proline and dl-2-phenoxypropionic acid CrystEngComm, 2025, 27, 3887-3890
7250458	CIF	C14 H19 N O5	R -3 :H	62.5573; 62.5573; 5.6698 90; 90; 120	19215.6	Steenhaut, Timothy; Li, Xiao; Zhou, Fuli; Robeyns, Koen; Leyssens, Tom; Filinchuk, Yaroslav; Shemchuk, Oleksii A hydrogen-bonded organic framework with ultramicroporous channels based on proline and dl-2-phenoxypropionic acid CrystEngComm, 2025, 27, 3887-3890
7250459	CIF	C28 H52 N6 O16 Tb2	P -1	10.5916; 10.6052; 11.5225 113.549; 95.905; 115.253	1013.11	Ushakov, Daniil A.; Ryadun, Alexey A.; Kovalenko, Konstantin A.; Kirilyuk, Igor A.; Demakov, Pavel A.; Fedin, Vladimir P. Solvatomorphism, CO2 adsorption and luminescence properties of non-aromatic bis-hydroxamate-based metal–organic frameworks CrystEngComm, 2025, 27, 4699-4706
7250460	CIF	C24 H46 N4 O16 Tb2	P -1	9.7692; 10.1377; 10.6609 72.938; 72.646; 63.374	884.97	Ushakov, Daniil A.; Ryadun, Alexey A.; Kovalenko, Konstantin A.; Kirilyuk, Igor A.; Demakov, Pavel A.; Fedin, Vladimir P. Solvatomorphism, CO2 adsorption and luminescence properties of non-aromatic bis-hydroxamate-based metal–organic frameworks CrystEngComm, 2025, 27, 4699-4706
7250461	CIF	C9 H15 N O4	P -1	5.619; 8.2905; 11.0972 99.262; 99.099; 102.841	487.25	Jemai, Mahdi; Barceló-Oliver, Miquel; Marouani, Houda; Roisnel, Thierry; Frontera, Antonio; Prohens, Rafel Structural and computational analysis of H-bond mediated anion⋯anion interactions in new salts of fumaric and maleic acids CrystEngComm, 2025, 27, 4686-4698
7250462	CIF	C14 H13 N O4	P -1	5.6275; 9.642; 11.8288 100.639; 90.079; 102.129	616.18	Jemai, Mahdi; Barceló-Oliver, Miquel; Marouani, Houda; Roisnel, Thierry; Frontera, Antonio; Prohens, Rafel Structural and computational analysis of H-bond mediated anion⋯anion interactions in new salts of fumaric and maleic acids CrystEngComm, 2025, 27, 4686-4698
7250463	CIF	C16 H26 N2 O11	P 1 21/n 1	8.0431; 14.8328; 16.9537 90; 98.675; 90	1999.5	Jemai, Mahdi; Barceló-Oliver, Miquel; Marouani, Houda; Roisnel, Thierry; Frontera, Antonio; Prohens, Rafel Structural and computational analysis of H-bond mediated anion⋯anion interactions in new salts of fumaric and maleic acids CrystEngComm, 2025, 27, 4686-4698
7250464	CIF	C11 H17 N O6	P 1 21/c 1	8.8182; 5.5773; 25.613 90; 97.959; 90	1247.56	Jemai, Mahdi; Barceló-Oliver, Miquel; Marouani, Houda; Roisnel, Thierry; Frontera, Antonio; Prohens, Rafel Structural and computational analysis of H-bond mediated anion⋯anion interactions in new salts of fumaric and maleic acids CrystEngComm, 2025, 27, 4686-4698
7250465	CIF	C19 H21 N O4	P -1	7.9935; 10.9224; 11.3553 76.15; 75.668; 72.689	902.21	Jemai, Mahdi; Barceló-Oliver, Miquel; Marouani, Houda; Roisnel, Thierry; Frontera, Antonio; Prohens, Rafel Structural and computational analysis of H-bond mediated anion⋯anion interactions in new salts of fumaric and maleic acids CrystEngComm, 2025, 27, 4686-4698
7250466	CIF	C19 H21 N O4	P 21 21 21	5.6443; 17.2728; 17.5092 90; 90; 90	1707	Jemai, Mahdi; Barceló-Oliver, Miquel; Marouani, Houda; Roisnel, Thierry; Frontera, Antonio; Prohens, Rafel Structural and computational analysis of H-bond mediated anion⋯anion interactions in new salts of fumaric and maleic acids CrystEngComm, 2025, 27, 4686-4698
7250467	CIF	C31 H23 N O2	P 1 2/n 1	20.332; 9.1554; 26.9029 90; 108.812; 90	4740.4	Groenewaldt, Jaime-lee; Barton, Benita; Hosten, Eric C. The selectivity behaviour of 9,9′-bifluorenyl-9,9′-diol as a host compound for highly efficient separations of mixed pyridines CrystEngComm, 2025, 27, 4176-4188
7250468	CIF	C32 H25 N O2	P 21 21 21	10.4369; 10.7155; 21.6126 90; 90; 90	2417.08	Groenewaldt, Jaime-lee; Barton, Benita; Hosten, Eric C. The selectivity behaviour of 9,9′-bifluorenyl-9,9′-diol as a host compound for highly efficient separations of mixed pyridines CrystEngComm, 2025, 27, 4176-4188
7250469	CIF	C32 H25 N O2	P 1 2/n 1	20.6545; 9.0895; 27.2828 90; 109.272; 90	4835	Groenewaldt, Jaime-lee; Barton, Benita; Hosten, Eric C. The selectivity behaviour of 9,9′-bifluorenyl-9,9′-diol as a host compound for highly efficient separations of mixed pyridines CrystEngComm, 2025, 27, 4176-4188
7250470	CIF	C19 H21 Cl N4 O4	C 1 2/c 1	16.4563; 14.201; 16.436 90; 97.994; 90	3803.7	Bilal, Aqsa; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood A single crystal to single crystal solvatomorphic phase transition in cocrystals of pyrimethamine with 4-hydroxybenzoic acid. An experimental and theoretical study CrystEngComm, 2025, 27, 4722-4733
7250471	CIF	C19 H21 Cl N4 O4	C 1 2/c 1	16.4563; 14.201; 16.436 90; 97.994; 90	3803.7	Bilal, Aqsa; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood A single crystal to single crystal solvatomorphic phase transition in cocrystals of pyrimethamine with 4-hydroxybenzoic acid. An experimental and theoretical study CrystEngComm, 2025, 27, 4722-4733
7250472	CIF	C19 H21 Cl N4 O4	C 1 2/c 1	16.4563; 14.201; 16.436 90; 97.994; 90	3803.7	Bilal, Aqsa; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood A single crystal to single crystal solvatomorphic phase transition in cocrystals of pyrimethamine with 4-hydroxybenzoic acid. An experimental and theoretical study CrystEngComm, 2025, 27, 4722-4733
7250473	CIF	C19 H19 Cl N4 O3	C 1 2/c 1	23.295; 14.4908; 11.5884 90; 100.772; 90	3842.9	Bilal, Aqsa; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood A single crystal to single crystal solvatomorphic phase transition in cocrystals of pyrimethamine with 4-hydroxybenzoic acid. An experimental and theoretical study CrystEngComm, 2025, 27, 4722-4733
7250474	CIF	C18 H16 O2	P 21 21 21	5.926; 11.6332; 19.3715 90; 90; 90	1335.44	Chen, Yirui; Cheng, Yuqi; Tong, Wanting; Wu, Hangtao; Zhao, Chuhan; Song, Dingguo; Ling, Fei; Zhong, Weihui Supported manganese catalysts achieve highly efficient C–H bond oxidation and olefin epoxidation Green Chemistry, 2025, 27, 7717-7727
7250475	CIF	C17 H18 Ag N5 S3	P 1 21/c 1	11.839; 19.437; 8.4998 90; 94.456; 90	1950	Bahrani-Pour, Maryam; Beheshti, Azizolla; Sedaghat, Tahereh; Samiee, Sepideh; Soleymani-babadi, Susan; Shakeri, Fatemeh; Janczak, Jan; Parisi, Emmanuele Effect of anion variation on the iodine adsorption capacity of new silver(i)-dithione coordination polymers CrystEngComm, 2025, 27, 4102-4115
7250476	CIF	C8 H9 Ag N3 O3 S	P b c a	10.4384; 7.9869; 25.5132 90; 90; 90	2127.05	Bahrani-Pour, Maryam; Beheshti, Azizolla; Sedaghat, Tahereh; Samiee, Sepideh; Soleymani-babadi, Susan; Shakeri, Fatemeh; Janczak, Jan; Parisi, Emmanuele Effect of anion variation on the iodine adsorption capacity of new silver(i)-dithione coordination polymers CrystEngComm, 2025, 27, 4102-4115
7250477	CIF	C18 H21 Ag F6 N5 P S2	P -1	8.9221; 9.1495; 15.5032 99.962; 105.877; 92.806	1192.7	Bahrani-Pour, Maryam; Beheshti, Azizolla; Sedaghat, Tahereh; Samiee, Sepideh; Soleymani-babadi, Susan; Shakeri, Fatemeh; Janczak, Jan; Parisi, Emmanuele Effect of anion variation on the iodine adsorption capacity of new silver(i)-dithione coordination polymers CrystEngComm, 2025, 27, 4102-4115
7250478	CIF	C18 H21 Ag B F4 N5 S2	P -1	8.7606; 9.1372; 14.8333 100.491; 106.509; 92.957	1112.64	Bahrani-Pour, Maryam; Beheshti, Azizolla; Sedaghat, Tahereh; Samiee, Sepideh; Soleymani-babadi, Susan; Shakeri, Fatemeh; Janczak, Jan; Parisi, Emmanuele Effect of anion variation on the iodine adsorption capacity of new silver(i)-dithione coordination polymers CrystEngComm, 2025, 27, 4102-4115
7250479	CIF	C18 H21 Ag Cl N5 O4 S2	P -1	8.7317; 9.0556; 14.9153 100.097; 106.306; 92.91	1108.14	Bahrani-Pour, Maryam; Beheshti, Azizolla; Sedaghat, Tahereh; Samiee, Sepideh; Soleymani-babadi, Susan; Shakeri, Fatemeh; Janczak, Jan; Parisi, Emmanuele Effect of anion variation on the iodine adsorption capacity of new silver(i)-dithione coordination polymers CrystEngComm, 2025, 27, 4102-4115
7250480	CIF	C32 H36 Ag N9 O3 S4	P -1	8.2259; 12.92; 16.5893 87.868; 81.755; 86.775	1741.3	Bahrani-Pour, Maryam; Beheshti, Azizolla; Sedaghat, Tahereh; Samiee, Sepideh; Soleymani-babadi, Susan; Shakeri, Fatemeh; Janczak, Jan; Parisi, Emmanuele Effect of anion variation on the iodine adsorption capacity of new silver(i)-dithione coordination polymers CrystEngComm, 2025, 27, 4102-4115
7250481	CIF	C33 H36 Ag N9 S5	P -1	8.4341; 13.2016; 16.9441 92.035; 103.887; 94.377	1823.31	Bahrani-Pour, Maryam; Beheshti, Azizolla; Sedaghat, Tahereh; Samiee, Sepideh; Soleymani-babadi, Susan; Shakeri, Fatemeh; Janczak, Jan; Parisi, Emmanuele Effect of anion variation on the iodine adsorption capacity of new silver(i)-dithione coordination polymers CrystEngComm, 2025, 27, 4102-4115
7250482	CIF	C20 H15 N4 O5.5 Zn	C 1 2/c 1	24.585; 11.4983; 16.964 90; 129.258; 90	3713.2	Liu, Haitao; Li, Senlin; Zhao, Bo; Gu, Yanan; Sun, Qiaozhen; Zhang, Bingguang Central metal ion of MOFs modulates the fluorescence detection of Fe3+ CrystEngComm, 2025, 27, 4582-4590
7250483	CIF	C20 H12 N4 O4 Sr	P c c a	15.9757; 12.5349; 8.3633 90; 90; 90	1674.8	Liu, Haitao; Li, Senlin; Zhao, Bo; Gu, Yanan; Sun, Qiaozhen; Zhang, Bingguang Central metal ion of MOFs modulates the fluorescence detection of Fe3+ CrystEngComm, 2025, 27, 4582-4590
7250484	CIF	C2 H4 K O3.5	P 1 21/m 1	5.8982; 7.2515; 11.027 90; 102.253; 90	460.89	Hu, Mingyang; Yang, Hexiong; Huo, Xiaojia; Lian, Bin Synthesis, structures, characterization and deterioration of potassium glycolate hemihydrate CrystEngComm, 2025, 27, 4816-4825
7250485	CIF	C4 H7 K O6	P 1 21/c 1	3.9788; 17.5322; 10.5049 90; 102.342; 90	715.86	Hu, Mingyang; Yang, Hexiong; Huo, Xiaojia; Lian, Bin Synthesis, structures, characterization and deterioration of potassium glycolate hemihydrate CrystEngComm, 2025, 27, 4816-4825
7250486	CIF	C41 H55 Ho2 N5 O24	P 43 2 2	21.858; 21.858; 14.4715 90; 90; 90	6914.1	Zhang, Tao; Liang, Shujun; Jia, Shuai; Cui, Haibo; Wang, Xinyi; Zhang, Xiutang Nanoporous [Ho2(CO2)7(H2O)2]-organic frameworks for excellent catalytic performance on the cycloaddition of CO2 into epoxides and the deacetalization-Knoevenagel condensation RSC Advances, 2025, 15, 17811-17818
7250487	CIF	Fe3 H2 Na0.69 O12 P3	C 1 2/c 1	11.9917; 12.308; 6.4995 90; 114.554; 90	872.54	Kurashkina, Anna A.; Alekseeva, Anastasia M.; Soboleva, Iana S.; Sobolev, Alexey V.; Mironov, Andrey V.; Marikutsa, Artem V.; Mikheev, Ivan V.; Shatalova, Tatyana B.; Presniakov, Igor A.; Drozhzhin, Oleg A.; Antipov, Evgeny V. Unraveling the transition from alluaudite to triphylite phases during LiFePO4 hydrothermal synthesis CrystEngComm, 2025, 27, 4209-4220
7250488	CIF	C23 H25 Br2 Cl N8 O2	P 21 21 21	4.4671; 14.8151; 39.6576 90; 90; 90	2624.6	Al-Buthabhak, Hawraa S.; Al-Ameed, Karrar; Yu, Yu; Sobolev, Alexandre N.; Moggach, Stephen A.; Al-Salami, Hani; Ferro, Vito; Baker, Murray V. Gold(i) and gold(iii) complexes of triazolyl-functionalised NHCs RSC Advances, 2025, 15, 18123-18141
7250489	CIF	C50 H50 Au2 Br4 Cl2 N16 O	P 1 21/n 1	4.8645; 35.428; 33.529 90; 93.698; 90	5766.3	Al-Buthabhak, Hawraa S.; Al-Ameed, Karrar; Yu, Yu; Sobolev, Alexandre N.; Moggach, Stephen A.; Al-Salami, Hani; Ferro, Vito; Baker, Murray V. Gold(i) and gold(iii) complexes of triazolyl-functionalised NHCs RSC Advances, 2025, 15, 18123-18141
7250490	CIF	C23 H20 Au Br2 Cl3 N8	P 1 21/c 1	18.1824; 22.9556; 14.4701 90; 111.315; 90	5626.51	Al-Buthabhak, Hawraa S.; Al-Ameed, Karrar; Yu, Yu; Sobolev, Alexandre N.; Moggach, Stephen A.; Al-Salami, Hani; Ferro, Vito; Baker, Murray V. Gold(i) and gold(iii) complexes of triazolyl-functionalised NHCs RSC Advances, 2025, 15, 18123-18141
7250491	CIF	C23 H20 Au Br2 Cl I2 N8	P -1	11.5821; 13.4019; 20.1568 104.821; 102.945; 99.131	2869.3	Al-Buthabhak, Hawraa S.; Al-Ameed, Karrar; Yu, Yu; Sobolev, Alexandre N.; Moggach, Stephen A.; Al-Salami, Hani; Ferro, Vito; Baker, Murray V. Gold(i) and gold(iii) complexes of triazolyl-functionalised NHCs RSC Advances, 2025, 15, 18123-18141
7250492	CIF	C32 H30 Cl2 I N2 P Pt	P 1 21/n 1	9.3136; 17.927; 18.424 90; 100.615; 90	3023.5	Fernandez de Larrinoa, Patricia; Kichler, Antoine; Dontenwill, Monique; Herold-Mende, Christel; Fournel, Sylvie; Frisch, Benoit; Bellemin-Laponnaz, Stephane; Heurtault, Beatrice N-Heterocyclic Carbene Platinum Complexes Encapsulated in Lipid Particles: A Novel Strategy to Target Cancer Cells and Cancer Stem Cells in Glioblastoma. RSC Medicinal Chemistry, 2025
7250493	CIF	C64 H128 Co4 N8 O40 Tb4	C 1 2/c 1	12.102; 34.633; 21.475 90; 94.74; 90	8970	Stati, Dumitru; van Leusen, Jan; Kravtsov, Victor Ch.; Chumakov, Yurii; Kögerler, Paul; Baca, Svetlana G. Variations of heterometallic cores and magnetic properties in Co(iii)–Y/Ln isobutyrate clusters with N-butyldiethanolamine: from tetranuclear to octanuclear clusters RSC Advances, 2025, 15, 18209-18223
7250494	CIF	C48 H96 Co2 Eu4 N6 O36	P -1	12.378; 12.638; 13.23 79.429; 68.217; 80.352	1878	Stati, Dumitru; van Leusen, Jan; Kravtsov, Victor Ch.; Chumakov, Yurii; Kögerler, Paul; Baca, Svetlana G. Variations of heterometallic cores and magnetic properties in Co(iii)–Y/Ln isobutyrate clusters with N-butyldiethanolamine: from tetranuclear to octanuclear clusters RSC Advances, 2025, 15, 18209-18223
7250495	CIF	C48 H93 Co3 N8 O26 Sm2	P -1	14.783; 15.319; 16.857 111.12; 110.65; 96.27	3207.8	Stati, Dumitru; van Leusen, Jan; Kravtsov, Victor Ch.; Chumakov, Yurii; Kögerler, Paul; Baca, Svetlana G. Variations of heterometallic cores and magnetic properties in Co(iii)–Y/Ln isobutyrate clusters with N-butyldiethanolamine: from tetranuclear to octanuclear clusters RSC Advances, 2025, 15, 18209-18223
7250496	CIF	C54 H115 Co3 N8 O32.5 Yb3	P 1 21/c 1	21.351; 19.684; 19.219 90; 101.84; 90	7905	Stati, Dumitru; van Leusen, Jan; Kravtsov, Victor Ch.; Chumakov, Yurii; Kögerler, Paul; Baca, Svetlana G. Variations of heterometallic cores and magnetic properties in Co(iii)–Y/Ln isobutyrate clusters with N-butyldiethanolamine: from tetranuclear to octanuclear clusters RSC Advances, 2025, 15, 18209-18223
7250497	CIF	C36 H70 Co2 Ho2 N6 O20	P 1 21/n 1	15.042; 9.4368; 19.407 90; 99.15; 90	2719.7	Stati, Dumitru; van Leusen, Jan; Kravtsov, Victor Ch.; Chumakov, Yurii; Kögerler, Paul; Baca, Svetlana G. Variations of heterometallic cores and magnetic properties in Co(iii)–Y/Ln isobutyrate clusters with N-butyldiethanolamine: from tetranuclear to octanuclear clusters RSC Advances, 2025, 15, 18209-18223
7250498	CIF	C36 H70 Co2 Er2 N6 O20	P 1 21/n 1	14.8137; 9.4719; 19.6397 90; 100.451; 90	2710.01	Stati, Dumitru; van Leusen, Jan; Kravtsov, Victor Ch.; Chumakov, Yurii; Kögerler, Paul; Baca, Svetlana G. Variations of heterometallic cores and magnetic properties in Co(iii)–Y/Ln isobutyrate clusters with N-butyldiethanolamine: from tetranuclear to octanuclear clusters RSC Advances, 2025, 15, 18209-18223
7250499	CIF	C47 H91.5 Co3 N7.5 O26 Pr2	P -1	14.774; 15.375; 16.834 111.1; 110.58; 96.02	3220.4	Stati, Dumitru; van Leusen, Jan; Kravtsov, Victor Ch.; Chumakov, Yurii; Kögerler, Paul; Baca, Svetlana G. Variations of heterometallic cores and magnetic properties in Co(iii)–Y/Ln isobutyrate clusters with N-butyldiethanolamine: from tetranuclear to octanuclear clusters RSC Advances, 2025, 15, 18209-18223
7250500	CIF	C64 H128 Co4 Gd4 N8 O40	C 1 2/c 1	12.11; 34.643; 21.499 90; 94.76; 90	8988	Stati, Dumitru; van Leusen, Jan; Kravtsov, Victor Ch.; Chumakov, Yurii; Kögerler, Paul; Baca, Svetlana G. Variations of heterometallic cores and magnetic properties in Co(iii)–Y/Ln isobutyrate clusters with N-butyldiethanolamine: from tetranuclear to octanuclear clusters RSC Advances, 2025, 15, 18209-18223
7250501	CIF	C36 H70 Co2 N6 O20 Y2	P 1 21/n 1	14.727; 9.2429; 19.002 90; 99.06; 90	2554.3	Stati, Dumitru; van Leusen, Jan; Kravtsov, Victor Ch.; Chumakov, Yurii; Kögerler, Paul; Baca, Svetlana G. Variations of heterometallic cores and magnetic properties in Co(iii)–Y/Ln isobutyrate clusters with N-butyldiethanolamine: from tetranuclear to octanuclear clusters RSC Advances, 2025, 15, 18209-18223
7250502	CIF	C47 H91.5 Co3 N7.5 Nd2 O26	P -1	14.9; 15.49; 16.96 110.9; 110.74; 96.08	3296.8	Stati, Dumitru; van Leusen, Jan; Kravtsov, Victor Ch.; Chumakov, Yurii; Kögerler, Paul; Baca, Svetlana G. Variations of heterometallic cores and magnetic properties in Co(iii)–Y/Ln isobutyrate clusters with N-butyldiethanolamine: from tetranuclear to octanuclear clusters RSC Advances, 2025, 15, 18209-18223