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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
7242488	CIF	C32 H42 Cl2 Zr	P 1 21/c 1	11.2859; 15.3811; 16.5363 90; 94.569; 90	2861.41	Angpanitcharoen, Phakpoom; Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot Synthesis of zirconocene complexes and their use in slurry-phase polymerisation of ethylene RSC Advances, 2021, 11, 11529-11535
7242489	CIF	C20 H22 O	P n 21 a	10.6474; 5.8091; 24.587 90; 90; 90	1520.8	Angpanitcharoen, Phakpoom; Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot Synthesis of zirconocene complexes and their use in slurry-phase polymerisation of ethylene RSC Advances, 2021, 11, 11529-11535
7242490	CIF	C20 H22	P 1 21/c 1	5.8532; 24.6468; 10.7323 90; 99.656; 90	1526.34	Angpanitcharoen, Phakpoom; Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot Synthesis of zirconocene complexes and their use in slurry-phase polymerisation of ethylene RSC Advances, 2021, 11, 11529-11535
7242491	CIF	C23 H29 N O8	P -1	21.893; 9.298; 11.082 90.07; 92.648; 92.006	2252.1	Wang, Kunlin; Wang, Chenguang; Mishra, Manish Kumar; Young, Victor G.; Sun, Changquan Calvin Reversible facile single-crystal-to-single-crystal polymorphic transition accompanied by unit cell volume expansion and twinning CrystEngComm, 2021, 23, 2648-2653
7242492	CIF	C23 H29 N O8	P 1 21/c 1	21.229; 9.6695; 11.1075 90; 91.327; 90	2279.5	Wang, Kunlin; Wang, Chenguang; Mishra, Manish Kumar; Young, Victor G.; Sun, Changquan Calvin Reversible facile single-crystal-to-single-crystal polymorphic transition accompanied by unit cell volume expansion and twinning CrystEngComm, 2021, 23, 2648-2653
7242493	CIF	C23 H29 N O8	P -1	21.833; 9.359; 11.086 90.328; 92.39; 91.79	2262	Wang, Kunlin; Wang, Chenguang; Mishra, Manish Kumar; Young, Victor G.; Sun, Changquan Calvin Reversible facile single-crystal-to-single-crystal polymorphic transition accompanied by unit cell volume expansion and twinning CrystEngComm, 2021, 23, 2648-2653
7242494	CIF	C18 H31 N11 O5 S2 Zn2	P -1	9.2129; 9.9156; 17.7795 80.589; 77.092; 64.355	1423.1	Mondal, Ipsita; Frontera, Antonio; Chattopadhyay, Shouvik On the importance of RH3C⋯N tetrel bonding interactions in the solid state of a dinuclear zinc complex with a tetradentate Schiff base ligand CrystEngComm, 2021, 23, 3391-3397
7242495	CIF	C106 H150 B8 Cu4 F8 Fe2 N32 O15 S6 W2	P 1 21/n 1	12.6045; 27.3658; 20.1424 90; 91.799; 90	6944.3	Li, Jie; Tan, Yi; Cao, Chen; Wang, Zhi-Kang; Niu, Zheng; Song, Ying-Lin; Lang, Jian-Ping One-dimensional and two-dimensional coordination polymers from cluster modular construction CrystEngComm, 2021, 23, 3160-3166
7242496	CIF	C114 H140 B8 Cu6 Fe3 N36 O26 S8 W2	P -3 c 1	22.8904; 22.8904; 27.7745 90; 90; 120	12603.3	Li, Jie; Tan, Yi; Cao, Chen; Wang, Zhi-Kang; Niu, Zheng; Song, Ying-Lin; Lang, Jian-Ping One-dimensional and two-dimensional coordination polymers from cluster modular construction CrystEngComm, 2021, 23, 3160-3166
7242497	CIF	C46 H44 Dy N4 Na O10	P 1 21/c 1	22.3221; 11.774; 16.2459 90; 90.15; 90	4269.74	Wang, Hui-Sheng; Zhang, Ke; Wang, Jia; Hu, Zhaobo; Song, You; Zhang, Zaichao; Pan, Zhi-Quan Regulating the distortion degree of the square antiprism coordination geometry in Dy–Na single ion magnets CrystEngComm, 2021, 23, 3175-3184
7242498	CIF	C46 H44 Dy N5 Na2 O13	P 1 21/c 1	10.9971; 29.7015; 14.676 90; 111.441; 90	4461.9	Wang, Hui-Sheng; Zhang, Ke; Wang, Jia; Hu, Zhaobo; Song, You; Zhang, Zaichao; Pan, Zhi-Quan Regulating the distortion degree of the square antiprism coordination geometry in Dy–Na single ion magnets CrystEngComm, 2021, 23, 3175-3184
7242499	CIF	C112.5 H93 Cl5 I12 N24 O8 Zn6	P 1 2/c 1	34.9669; 14.8136; 30.7587 90; 101.597; 90	15607.3	Ismiyarto,; Kishi, Nobuki; Adachi, Yuki; Jiang, Rui; Doi, Takahiro; Zhou, Da-Yang; Asano, Kaori; Obora, Yasushi; Suzuki, Takayoshi; Sasai, Hiroaki; Suzuki, Takeyuki Catalytic enantioselective intramolecular Tishchenko reaction of meso-dialdehyde: synthesis of (S)-cedarmycins RSC Advances, 2021, 11, 11606-11609
7242500	CIF	C19 H18 O4	P 21 21 21	8.91118; 11.0174; 15.8907 90; 90; 90	1560.12	Ismiyarto,; Kishi, Nobuki; Adachi, Yuki; Jiang, Rui; Doi, Takahiro; Zhou, Da-Yang; Asano, Kaori; Obora, Yasushi; Suzuki, Takayoshi; Sasai, Hiroaki; Suzuki, Takeyuki Catalytic enantioselective intramolecular Tishchenko reaction of meso-dialdehyde: synthesis of (S)-cedarmycins RSC Advances, 2021, 11, 11606-11609
7242501	CIF	C10.25 H13 Cu0.5 O5.25	C m c e	19.149; 10.772; 23.154 90; 90; 90	4776	Liu, Chengxin; Cui, Jin; Wang, Yufang; Zhang, Mingjie A novel two-dimensional metal‒organic framework as a recyclable heterogeneous catalyst for the dehydrogenative oxidation of alcohol and the N-arylation of azole compounds RSC Advances, 2021, 11, 11739-11744
7242502	CIF	C15 H38 Eu2 N6 O25	C 1 2/c 1	12.713; 16.7745; 14.7977 90; 91.265; 90	3154.9	Feng, Lu; Zeng, Tian-Yu; Hou, Hao-Bo; Zhou, Hong; Tian, Jian Theoretical hydrogen bonding calculations and proton conduction for Eu(iii)-based metal‒organic framework RSC Advances, 2021, 11, 11495-11499
7242503	CIF	C17 H13 F O4	P 1 n 1	4.0051; 10.1298; 16.3327 90; 92.222; 90	662.13	Chang, Meng-Yang; Tsai, Min-Chen; Lin, Chun-Yi A novel one-pot synthesis of flavones RSC Advances, 2021, 11, 11655-11662
7242504	CIF	C88 H88 O12	P 1 21/c 1	13.8913; 29.698; 17.353 90; 104.522; 90	6930.2	Takahashi, Masaki; Tsuji, Naoya; Yazaki, Kohei; Sei, Yoshihisa; Obata, Makoto A fluorescent calix[4]arene with naphthalene units at the upper rim exhibits long fluorescence emission lifetime without fluorescence quenching RSC Advances, 2021, 11, 11651-11654
7242505	CIF	C18 H18 Mn N2 O8	P -1	9.533; 9.6406; 11.2374 73.591; 89.342; 70.111	927.5	Yin, Meng-Ru; Yan, Qing-Qing; Li, Bin; Yong, Guo-Ping 1D ladder and 2D bilayer coordination polymers constructed from a new T-shaped ligand: luminescence, magnetic and CO2 gas adsorption properties CrystEngComm, 2021, 23, 3196-3203
7242506	CIF	C36 H24 Cd2 Cl2 N4 O9	C 1 2/c 1	20.5062; 6.4692; 27.8762 90; 95.957; 90	3678.05	Yin, Meng-Ru; Yan, Qing-Qing; Li, Bin; Yong, Guo-Ping 1D ladder and 2D bilayer coordination polymers constructed from a new T-shaped ligand: luminescence, magnetic and CO2 gas adsorption properties CrystEngComm, 2021, 23, 3196-3203
7242507	CIF	C18 H12 Co N2 O5	P b c a	6.3178; 19.3847; 27.9152 90; 90; 90	3418.7	Yin, Meng-Ru; Yan, Qing-Qing; Li, Bin; Yong, Guo-Ping 1D ladder and 2D bilayer coordination polymers constructed from a new T-shaped ligand: luminescence, magnetic and CO2 gas adsorption properties CrystEngComm, 2021, 23, 3196-3203
7242508	CIF	C36 H28 N4 Ni2 O12	P b c a	18.542; 14.847; 27.876 90; 90; 90	7674	Yin, Meng-Ru; Yan, Qing-Qing; Li, Bin; Yong, Guo-Ping 1D ladder and 2D bilayer coordination polymers constructed from a new T-shaped ligand: luminescence, magnetic and CO2 gas adsorption properties CrystEngComm, 2021, 23, 3196-3203
7242509	CIF	C3 H6 O3	P 21 21 21	5.7323; 9.019; 17.3597 90; 90; 90	897.49	Yang, Jingxiang; Hu, Chunhua T.; Reiter, Ethan; Kahr, Bart Ambient l-lactic acid crystal polymorphism CrystEngComm, 2021, 23, 2644-2647
7242510	CIF	C3 H6 O3	P 21 21 21	5.4954; 8.4298; 9.3517 90; 90; 90	433.22	Yang, Jingxiang; Hu, Chunhua T.; Reiter, Ethan; Kahr, Bart Ambient l-lactic acid crystal polymorphism CrystEngComm, 2021, 23, 2644-2647
7242511	CIF	C3 H6 O3	P 21 21 21	5.759; 5.772; 12.492 90; 90; 90	415.2	Yang, Jingxiang; Hu, Chunhua T.; Reiter, Ethan; Kahr, Bart Ambient l-lactic acid crystal polymorphism CrystEngComm, 2021, 23, 2644-2647
7242512	CIF	C25 H22 Cl N O4 S	P -1	12.3598; 12.8606; 15.4574 81.976; 75.455; 70.669	2239.9	Liu, Chengkou; Lin, Yang; Cai, Chen; Yuan, Chengcheng; Fang, Zheng; Guo, Kai Continuous-flow electro-oxidative coupling of sulfides with activated methylene compounds leading to sulfur ylides Green Chemistry, 2021, 23, 2956-2961
7242513	CIF	C12 H10 F3 N3 O4	P -1	7.5763; 8.5961; 10.7211 100.721; 99.964; 91.329	674.59	Surov, Artem Olegovich; Voronin, Alexander P.; Drozd, Ksenia V.; Gruzdev, Matvey Sergeevich; Prashanth, Jupally; Balasubramanian, Sridhar; Perlovich, German L. Polymorphic forms of antiandrogenic drug nilutamide: structural and thermodynamic aspects Physical Chemistry Chemical Physics, 2021
7242514	CIF	C12 H10 F3 N3 O4	C 1 2/c 1	11.1754; 10.0868; 23.6466 90; 101.827; 90	2608.95	Surov, Artem Olegovich; Voronin, Alexander P.; Drozd, Ksenia V.; Gruzdev, Matvey Sergeevich; Prashanth, Jupally; Balasubramanian, Sridhar; Perlovich, German L. Polymorphic forms of antiandrogenic drug nilutamide: structural and thermodynamic aspects Physical Chemistry Chemical Physics, 2021
7242515	CIF	C34 H30 Cl2 Fe2 Mn N0 O7	C 1 2/c 1	45.506; 9.888; 8.1578 90; 93.89; 90	3662.3	Khan, Misbha Rafiq; Niu, Xiaoge; Chen, Tianling; Liu, Yan; Liu, Zhongyi; Liu, Bin; Zhang, Yuxia; Li, Jinpeng Structural diversity and magnetic properties of six ferrocenyl monocarboxylate Mn(ii), Ni(ii) and Co(ii) complexes with 1D aqua, carboxyl or dinuclear hydroxyl bridges CrystEngComm, 2021, 23, 3185-3195
7242516	CIF	C46 H32 Cl2 Fe2 Mn N2 O4	C 1 2/c 1	42.625; 10.241; 8.9462 90; 94.72; 90	3892	Khan, Misbha Rafiq; Niu, Xiaoge; Chen, Tianling; Liu, Yan; Liu, Zhongyi; Liu, Bin; Zhang, Yuxia; Li, Jinpeng Structural diversity and magnetic properties of six ferrocenyl monocarboxylate Mn(ii), Ni(ii) and Co(ii) complexes with 1D aqua, carboxyl or dinuclear hydroxyl bridges CrystEngComm, 2021, 23, 3185-3195
7242517	CIF	C34 H26 Cl2 Fe2 N0 Ni O7	C 1 2/c 1	45.368; 9.959; 8.0659 90; 94.54; 90	3632.9	Khan, Misbha Rafiq; Niu, Xiaoge; Chen, Tianling; Liu, Yan; Liu, Zhongyi; Liu, Bin; Zhang, Yuxia; Li, Jinpeng Structural diversity and magnetic properties of six ferrocenyl monocarboxylate Mn(ii), Ni(ii) and Co(ii) complexes with 1D aqua, carboxyl or dinuclear hydroxyl bridges CrystEngComm, 2021, 23, 3185-3195
7242518	CIF	C60 H46 Cl2 F4 Fe2 N12 Ni2 O6	P -1	10.381; 11.074; 13.337 96.62; 95.19; 92.49	1514.5	Khan, Misbha Rafiq; Niu, Xiaoge; Chen, Tianling; Liu, Yan; Liu, Zhongyi; Liu, Bin; Zhang, Yuxia; Li, Jinpeng Structural diversity and magnetic properties of six ferrocenyl monocarboxylate Mn(ii), Ni(ii) and Co(ii) complexes with 1D aqua, carboxyl or dinuclear hydroxyl bridges CrystEngComm, 2021, 23, 3185-3195
7242519	CIF	C34 H24 Cl2 Co Fe2 N0 O7	C 1 2/c 1	45.267; 9.929; 8.0513 90; 94.33; 90	3608.4	Khan, Misbha Rafiq; Niu, Xiaoge; Chen, Tianling; Liu, Yan; Liu, Zhongyi; Liu, Bin; Zhang, Yuxia; Li, Jinpeng Structural diversity and magnetic properties of six ferrocenyl monocarboxylate Mn(ii), Ni(ii) and Co(ii) complexes with 1D aqua, carboxyl or dinuclear hydroxyl bridges CrystEngComm, 2021, 23, 3185-3195
7242520	CIF	C60 H46 Cl2 Co2 F4 Fe2 N12 O6	P -1	10.349; 11.287; 13.426 96.99; 94.89; 92.12	1549.2	Khan, Misbha Rafiq; Niu, Xiaoge; Chen, Tianling; Liu, Yan; Liu, Zhongyi; Liu, Bin; Zhang, Yuxia; Li, Jinpeng Structural diversity and magnetic properties of six ferrocenyl monocarboxylate Mn(ii), Ni(ii) and Co(ii) complexes with 1D aqua, carboxyl or dinuclear hydroxyl bridges CrystEngComm, 2021, 23, 3185-3195
7242521	CIF	C26 H20 Cd N2 O6	P -1	9.33; 10.12; 12.688 101.561; 90.354; 98.996	1158.4	Yang, Fan; Li, Ni Ya; Ge, Ye; Liu, Dong Single-crystal to single-crystal transformation of a coordination chain to a two-dimensional coordination network through a photocycloaddition reaction CrystEngComm, 2021, 23, 2783-2787
7242522	CIF	C26 H20 Cd N2 O6	P -1	9.353; 10.076; 12.911 97.09; 96.377; 100.882	1174.4	Yang, Fan; Li, Ni Ya; Ge, Ye; Liu, Dong Single-crystal to single-crystal transformation of a coordination chain to a two-dimensional coordination network through a photocycloaddition reaction CrystEngComm, 2021, 23, 2783-2787
7242523	CIF	C21 H19 N3 O6 Zn	P -1	9.6073; 10.1391; 11.8289 98.77; 112.985; 106.117	973.74	Sun, Shuang-Li; Sun, Xi-Yu; Sun, Qian; Gao, En-Qing Highly efficient fluorescent chemosensor for nitro antibiotic detection based on luminescent coordination polymers with 2,6-di(4-carboxyphenyl)pyrazine CrystEngComm, 2021, 23, 3167-3174
7242524	CIF	C21 H19 Co N3 O6	P -1	9.5717; 10.0806; 11.8057 99.281; 112.617; 105.83	965.12	Sun, Shuang-Li; Sun, Xi-Yu; Sun, Qian; Gao, En-Qing Highly efficient fluorescent chemosensor for nitro antibiotic detection based on luminescent coordination polymers with 2,6-di(4-carboxyphenyl)pyrazine CrystEngComm, 2021, 23, 3167-3174
7242525	CIF	C21 H19 Mn N3 O6	P -1	9.5406; 10.0775; 11.9021 100.467; 112.109; 104.281	978.23	Sun, Shuang-Li; Sun, Xi-Yu; Sun, Qian; Gao, En-Qing Highly efficient fluorescent chemosensor for nitro antibiotic detection based on luminescent coordination polymers with 2,6-di(4-carboxyphenyl)pyrazine CrystEngComm, 2021, 23, 3167-3174
7242526	CIF	C38 H49 Bi O8	P -1	12.5878; 12.6544; 13.1098 106.319; 105.558; 107.521	1763.44	Levent, Emre; Sala, Oliver; Wilm, Lukas F. B.; Löwe, Pawel; Dielmann, Fabian Heterobimetallic complexes composed of bismuth and lithium carboxylates as polyurethane catalysts ‒ alternatives to organotin compounds Green Chemistry, 2021, 23, 2747-2755
7242527	CIF	C54 H96 Bi2 Li4 N2 O20	P 1 21/n 1	13.3571; 14.0806; 18.593 90; 95.0534; 90	3483.3	Levent, Emre; Sala, Oliver; Wilm, Lukas F. B.; Löwe, Pawel; Dielmann, Fabian Heterobimetallic complexes composed of bismuth and lithium carboxylates as polyurethane catalysts ‒ alternatives to organotin compounds Green Chemistry, 2021, 23, 2747-2755
7242528	CIF	C58 H102 Bi2 Li4 N4 O20	P 1 21/n 1	16.1427; 13.2582; 18.584 90; 110.087; 90	3735.47	Levent, Emre; Sala, Oliver; Wilm, Lukas F. B.; Löwe, Pawel; Dielmann, Fabian Heterobimetallic complexes composed of bismuth and lithium carboxylates as polyurethane catalysts ‒ alternatives to organotin compounds Green Chemistry, 2021, 23, 2747-2755
7242529	CIF	C64 H116 Bi2 Li4 N2 O20	P 1 21/n 1	14.3713; 17.9791; 15.3608 90; 92.508; 90	3965.17	Levent, Emre; Sala, Oliver; Wilm, Lukas F. B.; Löwe, Pawel; Dielmann, Fabian Heterobimetallic complexes composed of bismuth and lithium carboxylates as polyurethane catalysts ‒ alternatives to organotin compounds Green Chemistry, 2021, 23, 2747-2755
7242530	CIF	C106 H119 Bi2 Li4 N3 O20	P 1 21/c 1	24.0601; 18.8535; 22.3563 90; 92.989; 90	10127.4	Levent, Emre; Sala, Oliver; Wilm, Lukas F. B.; Löwe, Pawel; Dielmann, Fabian Heterobimetallic complexes composed of bismuth and lithium carboxylates as polyurethane catalysts ‒ alternatives to organotin compounds Green Chemistry, 2021, 23, 2747-2755
7242531	CIF	C104 H116 Bi2 Li4 N2 O20	P 1 21/c 1	24.7978; 16.4792; 24.6871 90; 103.624; 90	9804.5	Levent, Emre; Sala, Oliver; Wilm, Lukas F. B.; Löwe, Pawel; Dielmann, Fabian Heterobimetallic complexes composed of bismuth and lithium carboxylates as polyurethane catalysts ‒ alternatives to organotin compounds Green Chemistry, 2021, 23, 2747-2755
7242532	CIF	C24 H18 F3 N3 O2	P 4/n :2	24.437; 24.437; 7.3579 90; 90; 90	4393.9	Pan, Zhentao; Shi, Shuaijun; Yang, Xuancheng; Xiao, Xuqiong; Zhang, Wangqin; Wang, Shiliang; Ma, Yongmin Eco-friendly construction of spiroquinazolin-2-(thi)ones and quinolin-(thio)ureas via Fe(iii)-catalyzed multi-component domino double [4 + 2] annulations Green Chemistry, 2021, 23, 2944-2949
7242533	CIF	C23 H19 N3 O S	P 1 21/n 1	8.754; 18.911; 11.952 90; 104.763; 90	1913.3	Pan, Zhentao; Shi, Shuaijun; Yang, Xuancheng; Xiao, Xuqiong; Zhang, Wangqin; Wang, Shiliang; Ma, Yongmin Eco-friendly construction of spiroquinazolin-2-(thi)ones and quinolin-(thio)ureas via Fe(iii)-catalyzed multi-component domino double [4 + 2] annulations Green Chemistry, 2021, 23, 2944-2949
7242534	CIF	C23 H14 N3 O S	P -1	13.632; 13.694; 22.48 98.57; 95.81; 92.8	4120	Pan, Zhentao; Shi, Shuaijun; Yang, Xuancheng; Xiao, Xuqiong; Zhang, Wangqin; Wang, Shiliang; Ma, Yongmin Eco-friendly construction of spiroquinazolin-2-(thi)ones and quinolin-(thio)ureas via Fe(iii)-catalyzed multi-component domino double [4 + 2] annulations Green Chemistry, 2021, 23, 2944-2949
7242535	CIF	C93 H93 Cl26 Mn6 N15 O28	P -3 1 c	16.7906; 16.7906; 24.3807 90; 90; 120	5952.6	Christou, George; Wernsdorfer, Wolfgang; Ghosh, Tuhin; Abboud, Khalil A.; Marbey, Jonathan; Hill, Stephen Exchange-biased Quantum Tunnelling of Magnetization in a [Mn3]2 Dimer of Single-Molecule Magnets with Rare Ferromagnetic Inter-Mn3 Coupling Physical Chemistry Chemical Physics, 2021
7242536	CIF	C66 H68 Cl4 Co2 N24 O26	P 1 21/n 1	13.483; 14.312; 20.482 90; 101.02; 90	3879.5	Gao, Hang; Liu, Ka; Chang, Jin; Zhang, Juan A cobalt complex with 2,4,6-tris(di-2-pyridylamine)-1,3,5-triazine: antiferromagnetic couple governed single-molecule-magnet behaviour RSC Advances, 2021, 11, 12183-12187
7242537	CIF	C16 H12 F O2	P -1	5.6819; 7.7529; 14.9654 93.713; 97.789; 95.423	648.22	Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals CrystEngComm, 2021, 23, 5856-5868
7242538	CIF	C30 H18 Cl2 F0.25 O6	C 1 c 1	12.4423; 24.3784; 8.8538 90; 114.025; 90	2452.91	Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals CrystEngComm, 2021, 23, 5856-5868
7242539	CIF	C32 H22 F6 O2	P 1 c 1	13.6767; 8.6874; 11.331 90; 107.084; 90	1286.89	Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals CrystEngComm, 2021, 23, 5856-5868
7242540	CIF	C15 H9 F3 O	P 1 21/c 1	13.9052; 3.7985; 23.3553 90; 105.147; 90	1190.74	Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals CrystEngComm, 2021, 23, 5856-5868
7242541	CIF	C32 H24 F4 O4	P -1	9.0972; 11.7453; 13.5987 115.013; 92.409; 91.562	1313.9	Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals CrystEngComm, 2021, 23, 5856-5868
7242542	CIF	C15 H10 Br F O	P 1 21/n 1	4.0121; 23.1292; 13.5026 90; 96.284; 90	1245.47	Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals CrystEngComm, 2021, 23, 5856-5868
7242543	CIF	C32 H24 F4 O2	P 1 21/n 1	5.9906; 26.824; 8.121 90; 100.511; 90	1283.1	Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals CrystEngComm, 2021, 23, 5856-5868
7242544	CIF	C16 H12 F2 O2	P 1 21/n 1	10.5214; 3.9362; 30.9616 90; 91.344; 90	1281.9	Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals CrystEngComm, 2021, 23, 5856-5868
7242545	CIF	C16 H11 F3 O	P -1	5.5139; 7.8716; 15.1925 94.221; 95.914; 93.999	652.12	Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals CrystEngComm, 2021, 23, 5856-5868
7242546	CIF	C15 H11 F O	C 1 c 1	25.053; 5.7339; 8.0226 90; 95.745; 90	1146.7	Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals CrystEngComm, 2021, 23, 5856-5868
7242547	CIF	C30 H20 Br2 F2 O2	P b c a	25.2955; 11.9432; 34.778 90; 90; 90	10506.8	Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals CrystEngComm, 2021, 23, 5856-5868
7242548	CIF	C15 H10 Br F O	P -1	5.8739; 7.4217; 14.0384 90.767; 97.082; 92.597	606.59	Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals CrystEngComm, 2021, 23, 5856-5868
7242549	CIF	C30 H18 Br2 F4 O2	C 1 c 1	12.606; 24.432; 9.056 90; 114.764; 90	2532.7	Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals CrystEngComm, 2021, 23, 5856-5868
7242550	CIF	C36 H57 Cl3 N4 S2	P 1 21/c 1	12.06169; 15.09891; 21.2481 90; 99.4856; 90	3816.76	Pomorski, Robert; García-Valverde, María; Quesada, Roberto; Chmielewski, Michał J. Transmembrane anion transport promoted by thioamides RSC Advances, 2021, 11, 12249-12253
7242551	CIF	C30 H28 Cu3 N10 O12	P -1	7.5789; 9.937; 11.529 106.045; 104.318; 99.588	782.4	Klongdee, Fatima; Leelasubcharoen, Somying; Youngme, Sujittra; Boonmak, Jaursup Sonochemical synthesis of a trinuclear Cu(ii) complex with open coordination sites for the differentiable optical detection of volatile amines RSC Advances, 2021, 11, 12218-12226
7242552	CIF	C24 H12 N4 O4	P 1 21/n 1	4.0612; 25.692; 8.6053 90; 93.36; 90	896.3	Zhu, Huihui; Hao, Pengfei; Shen, Qiu; Shen, Junju; Li, Gaopeng; Zhao, Guozheng; Xing, Haoyu; Fu, Yunlong The modulation effect of electron-rich solvents on the supramolecular networks and photochromic properties of naphthalene diimide molecules CrystEngComm, 2021, 23, 3356-3363
7242553	CIF	C32 H36 N4 O8 S4	P 1 21/c 1	13.339; 5.493; 25.88 90; 116.314; 90	1699.8	Zhu, Huihui; Hao, Pengfei; Shen, Qiu; Shen, Junju; Li, Gaopeng; Zhao, Guozheng; Xing, Haoyu; Fu, Yunlong The modulation effect of electron-rich solvents on the supramolecular networks and photochromic properties of naphthalene diimide molecules CrystEngComm, 2021, 23, 3356-3363
7242554	CIF	C30 H26 N6 O6	P 1 21/c 1	5.4179; 20.3687; 12.2934 90; 100.926; 90	1332.1	Zhu, Huihui; Hao, Pengfei; Shen, Qiu; Shen, Junju; Li, Gaopeng; Zhao, Guozheng; Xing, Haoyu; Fu, Yunlong The modulation effect of electron-rich solvents on the supramolecular networks and photochromic properties of naphthalene diimide molecules CrystEngComm, 2021, 23, 3356-3363
7242555	CIF	C34 H30 N6 O6	P 1 21/c 1	5.3112; 23.855; 11.619 90; 99.885; 90	1450.3	Zhu, Huihui; Hao, Pengfei; Shen, Qiu; Shen, Junju; Li, Gaopeng; Zhao, Guozheng; Xing, Haoyu; Fu, Yunlong The modulation effect of electron-rich solvents on the supramolecular networks and photochromic properties of naphthalene diimide molecules CrystEngComm, 2021, 23, 3356-3363
7242556	CIF	C22 H18 Cd N2 O5.5	P 1 2/n 1	10.1841; 9.5035; 21.6676 90; 91.787; 90	2096.07	Qin, Wen-Jing; Zhang, Ji-Rui; Tian, Xu-Ke; Yang, Xiao-Gang; Guo, Yu-Ming Donor‒acceptor structure of a coordination polymer with long-lived room temperature phosphorescence and angle-dependent polarized emission CrystEngComm, 2021, 23, 3094-3098
7242557	CIF	C28 H48 Cl2 N14 Ni2 O8	P 1 21/n 1	8.2434; 13.7798; 16.7261 90; 96.059; 90	1889.34	Adak, Sarmistha; Sun, Yu-Chen; Jana, Narayan Ch.; Brandão, Paula; Wang, Xin-Yi; Panja, Anangamohan Tuneable structures and magnetic properties of pseudohalo-bridged dinuclear Ni(ii) complexes derived from {N4} and {N3O} donor ligands CrystEngComm, 2021, 23, 3371-3382
7242558	CIF	C32 H48 Cl2 N14 Ni2 O8	P 1 21/n 1	8.179; 27.2301; 9.5177 90; 100.369; 90	2085.1	Adak, Sarmistha; Sun, Yu-Chen; Jana, Narayan Ch.; Brandão, Paula; Wang, Xin-Yi; Panja, Anangamohan Tuneable structures and magnetic properties of pseudohalo-bridged dinuclear Ni(ii) complexes derived from {N4} and {N3O} donor ligands CrystEngComm, 2021, 23, 3371-3382
7242559	CIF	C30 H48 Cl2 N10 Ni2 O10	P 1 21/n 1	8.3729; 13.604; 16.8216 90; 94.39; 90	1910.4	Adak, Sarmistha; Sun, Yu-Chen; Jana, Narayan Ch.; Brandão, Paula; Wang, Xin-Yi; Panja, Anangamohan Tuneable structures and magnetic properties of pseudohalo-bridged dinuclear Ni(ii) complexes derived from {N4} and {N3O} donor ligands CrystEngComm, 2021, 23, 3371-3382
7242560	CIF	C30 H52 Cl2 N14 Ni2 O8	F d d 2	26.3729; 43.882; 20.6839 90; 90; 90	23937	Adak, Sarmistha; Sun, Yu-Chen; Jana, Narayan Ch.; Brandão, Paula; Wang, Xin-Yi; Panja, Anangamohan Tuneable structures and magnetic properties of pseudohalo-bridged dinuclear Ni(ii) complexes derived from {N4} and {N3O} donor ligands CrystEngComm, 2021, 23, 3371-3382
7242561	CIF	C70 H115 N25 Ni4 O8	P -1	15.0146; 15.3326; 18.7906 106.124; 106.924; 91.258	3950.7	Adak, Sarmistha; Sun, Yu-Chen; Jana, Narayan Ch.; Brandão, Paula; Wang, Xin-Yi; Panja, Anangamohan Tuneable structures and magnetic properties of pseudohalo-bridged dinuclear Ni(ii) complexes derived from {N4} and {N3O} donor ligands CrystEngComm, 2021, 23, 3371-3382
7242562	CIF	C74 H115 N17 Ni4 O12	P -1	15.0212; 15.3518; 18.7416 106.273; 106.932; 91.228	3943.8	Adak, Sarmistha; Sun, Yu-Chen; Jana, Narayan Ch.; Brandão, Paula; Wang, Xin-Yi; Panja, Anangamohan Tuneable structures and magnetic properties of pseudohalo-bridged dinuclear Ni(ii) complexes derived from {N4} and {N3O} donor ligands CrystEngComm, 2021, 23, 3371-3382
7242563	CIF	C29 H24 N4	P n a 21	15.6255; 6.0517; 47.672 90; 90; 90	4507.9	Wu, Jiasheng; Zou, Jiacheng; Zhuge, Xiangxue; Jia, Zhitai; Lin, Na; Yuan, Chunxue Design, synthesis, and characterization of pyridine-containing organic crystals with different substitution positions using solvothermal method CrystEngComm, 2021, 23, 3152-3159
7242564	CIF	C29 H24 N4	I 1 2/a 1	19.462; 5.2101; 26.144 90; 105.318; 90	2556.8	Wu, Jiasheng; Zou, Jiacheng; Zhuge, Xiangxue; Jia, Zhitai; Lin, Na; Yuan, Chunxue Design, synthesis, and characterization of pyridine-containing organic crystals with different substitution positions using solvothermal method CrystEngComm, 2021, 23, 3152-3159
7242565	CIF	C28 H24 N4	P -1	9.4388; 9.4605; 12.5876 94.094; 103.85; 105.273	1041.89	Wu, Jiasheng; Zou, Jiacheng; Zhuge, Xiangxue; Jia, Zhitai; Lin, Na; Yuan, Chunxue Design, synthesis, and characterization of pyridine-containing organic crystals with different substitution positions using solvothermal method CrystEngComm, 2021, 23, 3152-3159
7242566	CIF	C28 H24 N4	C 1 c 1	4.8535; 37.442; 11.8808 90; 101.043; 90	2119.1	Wu, Jiasheng; Zou, Jiacheng; Zhuge, Xiangxue; Jia, Zhitai; Lin, Na; Yuan, Chunxue Design, synthesis, and characterization of pyridine-containing organic crystals with different substitution positions using solvothermal method CrystEngComm, 2021, 23, 3152-3159
7242567	CIF	C26 H14 Cd2 N2 O8	P -1	10.159; 11.0042; 11.2516 74.652; 66.351; 79.654	1107.27	Wu, Yu; Zhong, Yuyu; Kang, Weiyi; Liu, Yiwei; Yang, Tingting; Zhou, Mi; Zhou, Luyi Two new luminescent Cd(ii)-based coordination polymers by regulating the asymmetrical tetracarboxylate and auxiliary ligands displaying high sensitivity for Fe3+ and CrO42− CrystEngComm, 2021, 23, 3460-3466
7242568	CIF	C16 H14 Cd2 O12	P 1 21/c 1	7.6065; 13.9939; 20.8616 90; 91.09; 90	2220.2	Wu, Yu; Zhong, Yuyu; Kang, Weiyi; Liu, Yiwei; Yang, Tingting; Zhou, Mi; Zhou, Luyi Two new luminescent Cd(ii)-based coordination polymers by regulating the asymmetrical tetracarboxylate and auxiliary ligands displaying high sensitivity for Fe3+ and CrO42− CrystEngComm, 2021, 23, 3460-3466
7242569	CIF	C40 H52 N8 O48 W12 Zn2	C 1 2/c 1	21.2513; 15.2436; 24.1678 90; 106.388; 90	7511	Zhang, Ying-Ying; Hu, Mingjun; Shao, Zhichao; Huang, Chao; Qin, Qi; Mi, Liwei Keggin-type polyoxometalate-containing metal‒organic hybrids as friction materials for triboelectric nanogenerators CrystEngComm, 2021, 23, 5184-5189
7242570	CIF	C36 H25 Cu N12 O42 W12 Zn	P 1 n 1	14.296; 15.241; 16.158 90; 99.738; 90	3470	Zhang, Ying-Ying; Hu, Mingjun; Shao, Zhichao; Huang, Chao; Qin, Qi; Mi, Liwei Keggin-type polyoxometalate-containing metal‒organic hybrids as friction materials for triboelectric nanogenerators CrystEngComm, 2021, 23, 5184-5189
7242571	CIF	C32 H46 Cu2 Ge N12 O48 W12	C 1 m 1	12.5419; 22.4521; 11.6246 90; 109.951; 90	3076.9	Shen, Qingbo; Gómez-García, Carlos J.; Sun, Wenlong; Lai, Xiaoyong; Pang, Haijun; Ma, Huiyuan Improving the photocatalytic H2 evolution activity of Keggin polyoxometalates anchoring copper-azole complexes Green Chemistry, 2021, 23, 3104-3114
7242572	CIF	C36 H32 Cu5 Ge N30 O44 W12	P -1	12.203; 13.495; 14.262 104.873; 111.48; 105.681	1931.3	Shen, Qingbo; Gómez-García, Carlos J.; Sun, Wenlong; Lai, Xiaoyong; Pang, Haijun; Ma, Huiyuan Improving the photocatalytic H2 evolution activity of Keggin polyoxometalates anchoring copper-azole complexes Green Chemistry, 2021, 23, 3104-3114
7242573	CIF	C32 H22 Cl Ir N4 O	P 1 21/n 1	9.2148; 28.241; 10.6998 90; 109.745; 90	2620.8	Pradhan, Kahnu Charan; Kisan, Hemanta K.; Pal, Satyanarayan Unexpected ortho C‒H bond activation in coordinated 7,8-benzoquinoline: synthesis and characterisation of heteroleptic Ir(iii)-7,8-benzoquinoline complexes RSC Advances, 2021, 11, 12578-12582
7242574	CIF	C13 H10 N4 O	P 41	17.1647; 17.1647; 23.1194 90; 90; 90	6811.6	Reason, Thomas E.; Goka, Benjamin; Krause, Jeanette A.; Fionah, Abelline K.; Zahran, Elsayed M.; Rayat, Sundeep Cu2O nanoparticle-catalyzed synthesis of diaryl tetrazolones and investigation of their solid-state properties CrystEngComm, 2021, 23, 3220-3229
7242575	CIF	C14 H11 F N4 O2	P 1 21/c 1	3.8425; 21.4042; 15.2608 90; 96.8753; 90	1246.11	Reason, Thomas E.; Goka, Benjamin; Krause, Jeanette A.; Fionah, Abelline K.; Zahran, Elsayed M.; Rayat, Sundeep Cu2O nanoparticle-catalyzed synthesis of diaryl tetrazolones and investigation of their solid-state properties CrystEngComm, 2021, 23, 3220-3229
7242576	CIF	C15 H14 N4 O2	C 1 2/c 1	22.1904; 4.7324; 27.12 90; 109.172; 90	2690	Reason, Thomas E.; Goka, Benjamin; Krause, Jeanette A.; Fionah, Abelline K.; Zahran, Elsayed M.; Rayat, Sundeep Cu2O nanoparticle-catalyzed synthesis of diaryl tetrazolones and investigation of their solid-state properties CrystEngComm, 2021, 23, 3220-3229
7242577	CIF	C15 H14 N4 O2	P 1 21/c 1	11.5655; 3.9863; 28.977 90; 100.713; 90	1312.7	Reason, Thomas E.; Goka, Benjamin; Krause, Jeanette A.; Fionah, Abelline K.; Zahran, Elsayed M.; Rayat, Sundeep Cu2O nanoparticle-catalyzed synthesis of diaryl tetrazolones and investigation of their solid-state properties CrystEngComm, 2021, 23, 3220-3229
7242578	CIF	C15 H13 N5 O5	P 1 21 1	3.8994; 21.1784; 8.9913 90; 102.301; 90	725.48	Reason, Thomas E.; Goka, Benjamin; Krause, Jeanette A.; Fionah, Abelline K.; Zahran, Elsayed M.; Rayat, Sundeep Cu2O nanoparticle-catalyzed synthesis of diaryl tetrazolones and investigation of their solid-state properties CrystEngComm, 2021, 23, 3220-3229
7242579	CIF	C13 H9 F N4 O	P n m a	7.4264; 26.8268; 5.6645 90; 90; 90	1128.52	Reason, Thomas E.; Goka, Benjamin; Krause, Jeanette A.; Fionah, Abelline K.; Zahran, Elsayed M.; Rayat, Sundeep Cu2O nanoparticle-catalyzed synthesis of diaryl tetrazolones and investigation of their solid-state properties CrystEngComm, 2021, 23, 3220-3229
7242580	CIF	C14 H11 F N4 O2	C 1 2 1	28.9051; 3.9102; 11.6155 90; 108.226; 90	1246.97	Reason, Thomas E.; Goka, Benjamin; Krause, Jeanette A.; Fionah, Abelline K.; Zahran, Elsayed M.; Rayat, Sundeep Cu2O nanoparticle-catalyzed synthesis of diaryl tetrazolones and investigation of their solid-state properties CrystEngComm, 2021, 23, 3220-3229
7242581	CIF	C27 H35 N6 O8 P	P 1	8.5565; 10.5456; 17.147 96.105; 99.219; 94.937	1510.2	Yu, Kaxi; Chen, Shuai; Amgoth, Chander; Tang, Guping; Bai, Hongzhen; Hu, Xiurong Two polymorphs of remdesivir: crystal structure, solubility, and pharmacokinetic study CrystEngComm, 2021, 23, 2923-2927
7242582	CIF	C27 H35 N6 O8 P	P 1 21 1	10.5286; 12.809; 11.1106 90; 100.022; 90	1475.5	Yu, Kaxi; Chen, Shuai; Amgoth, Chander; Tang, Guping; Bai, Hongzhen; Hu, Xiurong Two polymorphs of remdesivir: crystal structure, solubility, and pharmacokinetic study CrystEngComm, 2021, 23, 2923-2927
7242583	CIF	Ca H3 Ni2 O10.5 Se3	P 1 21/m 1	7.7605; 7.3336; 8.9393 90; 115.115; 90	460.66	Huang, Xing; Zhao, Zhiying; Zhang, Mengsi; He, Zhangzhen Crystal-to-crystal transformation of a new selenite compound CaNi2(SeO3)3·2H2O induced by dehydration CrystEngComm, 2021, 23, 3126-3132
7242584	CIF	Ca H4 Ni2 O11 Se3	P 1 21/m 1	7.8568; 7.3734; 8.9697 90; 114.275; 90	473.68	Huang, Xing; Zhao, Zhiying; Zhang, Mengsi; He, Zhangzhen Crystal-to-crystal transformation of a new selenite compound CaNi2(SeO3)3·2H2O induced by dehydration CrystEngComm, 2021, 23, 3126-3132
7242585	CIF	Ca Ni2 O9 Se3	C m c m	7.3759; 10.9715; 10.2189 90; 90; 90	826.96	Huang, Xing; Zhao, Zhiying; Zhang, Mengsi; He, Zhangzhen Crystal-to-crystal transformation of a new selenite compound CaNi2(SeO3)3·2H2O induced by dehydration CrystEngComm, 2021, 23, 3126-3132
7242586	CIF	C12 H13 N O3	P 21 21 21	5.8505; 11.594; 16.205 90; 90; 90	1099.2	Patel, Parth; Tak, Raj Kumar; Parmar, Bhavesh; Dabas, Shilpa; Patel, Brijesh; Suresh, Eringathodi; Khan, Noor-ul H.; Subramanian, Saravanan Ring-opening hydrolysis of spiro-epoxyoxindoles using a reusable sulfonic acid functionalized nitrogen rich carbon catalyst RSC Advances, 2021, 11, 12808-12814
7242587	CIF	C16 H14 Cl N O3	F d d 2	62.21; 17.713; 5.2259 90; 90; 90	5758.6	Patel, Parth; Tak, Raj Kumar; Parmar, Bhavesh; Dabas, Shilpa; Patel, Brijesh; Suresh, Eringathodi; Khan, Noor-ul H.; Subramanian, Saravanan Ring-opening hydrolysis of spiro-epoxyoxindoles using a reusable sulfonic acid functionalized nitrogen rich carbon catalyst RSC Advances, 2021, 11, 12808-12814
7242588	CIF	C10 H11 N O3	P 1 21/n 1	8.3175; 10.2481; 10.9658 90; 98.059; 90	925.5	Patel, Parth; Tak, Raj Kumar; Parmar, Bhavesh; Dabas, Shilpa; Patel, Brijesh; Suresh, Eringathodi; Khan, Noor-ul H.; Subramanian, Saravanan Ring-opening hydrolysis of spiro-epoxyoxindoles using a reusable sulfonic acid functionalized nitrogen rich carbon catalyst RSC Advances, 2021, 11, 12808-12814
7242589	CIF	C17 H17 N O4	P 1 c 1	8.4593; 5.8691; 30.718 90; 97.42; 90	1512.33	Patel, Parth; Tak, Raj Kumar; Parmar, Bhavesh; Dabas, Shilpa; Patel, Brijesh; Suresh, Eringathodi; Khan, Noor-ul H.; Subramanian, Saravanan Ring-opening hydrolysis of spiro-epoxyoxindoles using a reusable sulfonic acid functionalized nitrogen rich carbon catalyst RSC Advances, 2021, 11, 12808-12814
7242590	CIF	C16 H15 N O3	P 21 21 21	5.1638; 19.306; 27.209 90; 90; 90	2712.5	Patel, Parth; Tak, Raj Kumar; Parmar, Bhavesh; Dabas, Shilpa; Patel, Brijesh; Suresh, Eringathodi; Khan, Noor-ul H.; Subramanian, Saravanan Ring-opening hydrolysis of spiro-epoxyoxindoles using a reusable sulfonic acid functionalized nitrogen rich carbon catalyst RSC Advances, 2021, 11, 12808-12814
7242591	CIF	C22 H34.5 N5.5 O7 S2	P 21 21 21	14.406; 16.682; 25.02 90; 90; 90	6013	Liu, Wanying; Hou, Baohong; Huang, Xin; Zong, Shuyi; Zheng, Zhixin; Li, Shuyu; Zhao, Bugui; Liu, Songqiang; Zhou, Lina; Hao, Hongxun Influence of intermolecular interactions and crystal structure on desolvation mechanisms of solvates CrystEngComm, 2021, 23, 3557-3568
7242592	CIF	C22 H36 N4 O7 S2	P 43	19.556; 19.556; 17.153 90; 90; 90	6559.9	Liu, Wanying; Hou, Baohong; Huang, Xin; Zong, Shuyi; Zheng, Zhixin; Li, Shuyu; Zhao, Bugui; Liu, Songqiang; Zhou, Lina; Hao, Hongxun Influence of intermolecular interactions and crystal structure on desolvation mechanisms of solvates CrystEngComm, 2021, 23, 3557-3568
7242593	CIF	C41 H70 N8 O16 S4	P 21 21 21	14.1543; 16.755; 23.7148 90; 90; 90	5624.1	Liu, Wanying; Hou, Baohong; Huang, Xin; Zong, Shuyi; Zheng, Zhixin; Li, Shuyu; Zhao, Bugui; Liu, Songqiang; Zhou, Lina; Hao, Hongxun Influence of intermolecular interactions and crystal structure on desolvation mechanisms of solvates CrystEngComm, 2021, 23, 3557-3568
7242594	CIF	C10 H9 N O2	P -1	6.9349; 7.1467; 9.558 71.817; 84.968; 70.026	422.89	Sasaki, Toshiyuki; Ranjan, Subham; Takamizawa, Satoshi A photoluminescent organosuperelastic crystal of 7-amino-4-methylcoumarin CrystEngComm, 2021, 23, 5801-5804
7242595	CIF	C10 H9 N O2	P -1	6.9361; 7.1569; 9.5654 71.825; 84.915; 69.902	423.58	Sasaki, Toshiyuki; Ranjan, Subham; Takamizawa, Satoshi A photoluminescent organosuperelastic crystal of 7-amino-4-methylcoumarin CrystEngComm, 2021, 23, 5801-5804
7242596	CIF	C52 H52 Co3 N6 O20	P 1 21/n 1	13.979; 12.436; 16.164 90; 90.613; 90	2809.8	Wu, Yun-Long; Yang, Rong-Rong; Yang, Guo-Ping; Yan, Yang-Tian; Su, Xiao-Lei; He, Xin-Hai; Song, Yan-Yan; Ma, Zheng-Sheng; Wang, Yao-Yu A new porous Co(ii)-metal‒organic framework for high sorption selectivity and affinity to CO2 and efficient catalytic oxidation of benzyl alcohols to benzaldehydes CrystEngComm, 2021, 23, 3717-3723
7242597	CIF	C16 H12 N2 O	P b c a	13.0833; 7.64625; 24.185 90; 90; 90	2419.42	Zia, Mehwash; Hameed, Shahid; Frontera, Antonio; Irran, Elisabeth; Naseer, Muhammad Moazzam Understanding the planar conformations in diarylsubstituted heteroarenes: structural and theoretical insights CrystEngComm, 2021, 23, 3144-3151
7242598	CIF	C17 H14 N2 O2	P 1 21/c 1	11.3261; 15.5298; 8.0963 90; 105.26; 90	1373.86	Zia, Mehwash; Hameed, Shahid; Frontera, Antonio; Irran, Elisabeth; Naseer, Muhammad Moazzam Understanding the planar conformations in diarylsubstituted heteroarenes: structural and theoretical insights CrystEngComm, 2021, 23, 3144-3151
7242599	CIF	C15 H11 N O3	P 1 21/c 1	14.5352; 11.5897; 14.2576 90; 102.137; 90	2348.13	Zia, Mehwash; Hameed, Shahid; Frontera, Antonio; Irran, Elisabeth; Naseer, Muhammad Moazzam Understanding the planar conformations in diarylsubstituted heteroarenes: structural and theoretical insights CrystEngComm, 2021, 23, 3144-3151
7242600	CIF	C16 H13 N O3	P 1 21/n 1	5.55659; 10.0324; 22.5154 90; 92.49; 90	1253.96	Zia, Mehwash; Hameed, Shahid; Frontera, Antonio; Irran, Elisabeth; Naseer, Muhammad Moazzam Understanding the planar conformations in diarylsubstituted heteroarenes: structural and theoretical insights CrystEngComm, 2021, 23, 3144-3151
7242601	CIF	C16 H13 N O3	P 1 21/c 1	7.6398; 12.74; 13.6472 90; 99.618; 90	1309.6	Zia, Mehwash; Hameed, Shahid; Frontera, Antonio; Irran, Elisabeth; Naseer, Muhammad Moazzam Understanding the planar conformations in diarylsubstituted heteroarenes: structural and theoretical insights CrystEngComm, 2021, 23, 3144-3151
7242602	CIF	C16 H13 N O3	P c a 21	25.2543; 5.1328; 9.8457 90; 90; 90	1276.25	Zia, Mehwash; Hameed, Shahid; Frontera, Antonio; Irran, Elisabeth; Naseer, Muhammad Moazzam Understanding the planar conformations in diarylsubstituted heteroarenes: structural and theoretical insights CrystEngComm, 2021, 23, 3144-3151
7242603	CIF	C61 H79 O39.5 Sr	P -1	12.8565; 13.5028; 20.6644 72.641; 75.515; 84.414	3314.1	Butkiewicz, Helena; Sashuk, Volodymyr; Danylyuk, Oksana Incorporation of carboxylated pillar[5]arene and strontium(ii) into supramolecular coordination complexes of different nuclearities CrystEngComm, 2021, 23, 3265-3269
7242604	CIF	C124 H136 N2 O77.5 Sr4	P 1 21/c 1	22.583; 23.6561; 26.736 90; 95.186; 90	14224.6	Butkiewicz, Helena; Sashuk, Volodymyr; Danylyuk, Oksana Incorporation of carboxylated pillar[5]arene and strontium(ii) into supramolecular coordination complexes of different nuclearities CrystEngComm, 2021, 23, 3265-3269
7242605	CIF	C82.5 H86 N4 O36.3	P -1	13.9854; 14.3768; 23.0984 73.904; 72.539; 64.366	3935.1	Butkiewicz, Helena; Sashuk, Volodymyr; Danylyuk, Oksana Incorporation of carboxylated pillar[5]arene and strontium(ii) into supramolecular coordination complexes of different nuclearities CrystEngComm, 2021, 23, 3265-3269
7242606	CIF	C80 H54 Eu2 N8 O12	P 1 21/c 1	13.6055; 21.8372; 11.304 90; 103.757; 90	3262.1	Ruan, Zhong-Yu; Lu, Yong-Fang; Lv, Xi; Wu, Jian-Zhong; Ou, Yong-Cong; Cai, Yue-Peng Synthesis of a Eu complex based on benzonitrile hydrolysis as the first luminescent probe for clinafloxacin CrystEngComm, 2021, 23, 3602-3608
7242607	CIF	C36 H64 La2 N20 O29	C 1 2 1	19.048; 9.6054; 17.9497 90; 116.283; 90	2944.6	Kuk, Yunseung; Ok, Kang Min Homochiral three-dimensional noncentrosymmetric lanthanide coordination polymers directed by chiral linkers: syntheses, crystal structures, and optical properties CrystEngComm, 2021, 23, 3701-3709
7242608	CIF	C36 H64 N20 O29 Pr2	C 1 2 1	18.9531; 9.568; 17.8641 90; 116.077; 90	2909.8	Kuk, Yunseung; Ok, Kang Min Homochiral three-dimensional noncentrosymmetric lanthanide coordination polymers directed by chiral linkers: syntheses, crystal structures, and optical properties CrystEngComm, 2021, 23, 3701-3709
7242609	CIF	C36 H64 Ce2 N20 O29	C 1 2 1	19.001; 9.557; 17.951 90; 116.38; 90	2920	Kuk, Yunseung; Ok, Kang Min Homochiral three-dimensional noncentrosymmetric lanthanide coordination polymers directed by chiral linkers: syntheses, crystal structures, and optical properties CrystEngComm, 2021, 23, 3701-3709
7242610	CIF	C36 H64 N20 O29 Pr2	C 1 2 1	19.022; 9.5893; 17.9373 90; 116.148; 90	2937.1	Kuk, Yunseung; Ok, Kang Min Homochiral three-dimensional noncentrosymmetric lanthanide coordination polymers directed by chiral linkers: syntheses, crystal structures, and optical properties CrystEngComm, 2021, 23, 3701-3709
7242611	CIF	C36 H64 Ce2 N20 O29	C 1 2 1	19.095; 9.592; 17.9594 90; 116.394; 90	2946.5	Kuk, Yunseung; Ok, Kang Min Homochiral three-dimensional noncentrosymmetric lanthanide coordination polymers directed by chiral linkers: syntheses, crystal structures, and optical properties CrystEngComm, 2021, 23, 3701-3709
7242612	CIF	C36 H64 La2 N20 O29	C 1 2 1	19.0674; 9.5986; 17.9747 90; 116.405; 90	2946.5	Kuk, Yunseung; Ok, Kang Min Homochiral three-dimensional noncentrosymmetric lanthanide coordination polymers directed by chiral linkers: syntheses, crystal structures, and optical properties CrystEngComm, 2021, 23, 3701-3709
7242613	CIF	C70 H88 N4 Ni O4	P 1 21/n 1	18.1423; 17.5195; 23.9371 90; 106.001; 90	7313.5	Nasibipour, Mina; Safaei, Elham; Moaddeli, Ali; Masoumpour, Marziyeh Sadat; Wojtczak, Andrzej Biradical o-iminobenzosemiquinonato(1−) complexes of nickel(ii): catalytic activity in three-component coupling of aldehydes, amines and alkynes RSC Advances, 2021, 11, 12845-12859
7242614	CIF	C18 H13 N O	P -1	7.1154; 9.6387; 10.8333 93.473; 98.583; 109.416	688.03	Li, Wenjing; Li, Shun; Luo, Lihua; Ge, Yicen; Xu, Jiaqi; Zheng, Xueli; Yuan, Maolin; Li, Ruixiang; Chen, Hua; Fu, Haiyan Visible-light-initiated catalyst-free oxidative cleavage of (Z)-triaryl-substituted alkenes containing pyridyl motif under ambient conditions Green Chemistry, 2021, 23, 3649-3655
7242615	CIF	C9 H10 Br2 O2	P 1 21 1	5.9149; 8.0004; 11.2008 90; 101.679; 90	519.07	Li, Jing; Shi, Yian Catalytic enantioselective bromohydroxylation of cinnamyl alcohols RSC Advances, 2021, 11, 13040-13046
7242616	CIF	C10 H13 Br O2	P 21 21 21	8.3048; 9.2603; 27.0823 90; 90; 90	2082.76	Li, Jing; Shi, Yian Catalytic enantioselective bromohydroxylation of cinnamyl alcohols RSC Advances, 2021, 11, 13040-13046
7242617	CIF	C11 H14 Br Cl O2	P 21 21 21	10.45924; 10.51707; 22.10012 90; 90; 90	2431.03	Li, Jing; Shi, Yian Catalytic enantioselective bromohydroxylation of cinnamyl alcohols RSC Advances, 2021, 11, 13040-13046
7242618	CIF	C26 H21 Cl4 N2 O4	P 1 21/c 1	17.7729; 19.2994; 7.3793 90; 95.972; 90	2517.4	Liu, Xu; Liu, Chang; Cheng, Xu Ring-contraction of hantzsch esters and their derivatives to pyrroles via electrochemical extrusion of ethyl acetate out of aromatic rings Green Chemistry, 2021, 23, 3468-3473
7242619	CIF	C22 H20 O2 S	P 1 21/c 1	18.7765; 5.7331; 17.6642 90; 107.791; 90	1810.6	Yakali, Gul Examination of Aggregation Induced Enhanced Emission in a Propeller Shaped Chiral- Nonconjugated Blue Emitter from Restricted Intramolecular Rotation and J Type π⋯π Stacking Interactions Physical Chemistry Chemical Physics, 2021
7242620	CIF	C28 H31 N O	P 1 21/c 1	12.267; 20.24; 9.2785 90; 109.14; 90	2176.4	Yue, Erlin; Cao, Furong; Zhang, Jun; Zhang, Wenjuan; Jiang, Youshu; Liang, Tongling; Sun, Wen-Hua Bimetallic aluminum complexes bearing novel spiro-phenanthrene-monoketone/OH derivatives: synthesis, characterization and the ring-opening polymerization of ε-caprolactone RSC Advances, 2021, 11, 13274-13281
7242621	CIF	C29 H33 N O	P -1	9.4813; 10.352; 12.04 89.89; 85.67; 82.32	1167.7	Yue, Erlin; Cao, Furong; Zhang, Jun; Zhang, Wenjuan; Jiang, Youshu; Liang, Tongling; Sun, Wen-Hua Bimetallic aluminum complexes bearing novel spiro-phenanthrene-monoketone/OH derivatives: synthesis, characterization and the ring-opening polymerization of ε-caprolactone RSC Advances, 2021, 11, 13274-13281
7242622	CIF	C25 H23 N O	P 1 21/c 1	9.2698; 18.914; 21.689 90; 93.87; 90	3794	Yue, Erlin; Cao, Furong; Zhang, Jun; Zhang, Wenjuan; Jiang, Youshu; Liang, Tongling; Sun, Wen-Hua Bimetallic aluminum complexes bearing novel spiro-phenanthrene-monoketone/OH derivatives: synthesis, characterization and the ring-opening polymerization of ε-caprolactone RSC Advances, 2021, 11, 13274-13281
7242623	CIF	C54 H60 Al2 N2 O2	P -1	8.9047; 11.867; 13.494 94.56; 104.52; 107.73	1295.9	Yue, Erlin; Cao, Furong; Zhang, Jun; Zhang, Wenjuan; Jiang, Youshu; Liang, Tongling; Sun, Wen-Hua Bimetallic aluminum complexes bearing novel spiro-phenanthrene-monoketone/OH derivatives: synthesis, characterization and the ring-opening polymerization of ε-caprolactone RSC Advances, 2021, 11, 13274-13281
7242624	CIF	C14 H26 N4 O9 Ru S3	P -1	6.6947; 13.0994; 13.5996 94.514; 92.68; 103.521	1153.37	Cole, Jacqueline M.; Gosztola, David J.; Sylvester, Sven O. Low-energy optical switching of SO2 linkage isomerisation in single crystals of a ruthenium-based coordination complex RSC Advances, 2021, 11, 13183-13192
7242625	CIF	C14 H26 N4 O9 Ru S3	P -1	6.6653; 13.1237; 13.6781 94.45; 92.62; 103.417	1157.8	Cole, Jacqueline M.; Gosztola, David J.; Sylvester, Sven O. Low-energy optical switching of SO2 linkage isomerisation in single crystals of a ruthenium-based coordination complex RSC Advances, 2021, 11, 13183-13192
7242626	CIF	C16 H15 Co Mo4 N6 O15	P -1	9.6083; 12.3397; 13.1345 106.969; 108.15; 105.806	1297.4	Wang, Xiuli; Li, Lei; Wang, Xiang; Zhang, Yuqing Various amide-derived ligands induced five octamolybdate-based metal‒organic complexes: synthesis, structure, electrochemical sensing and photocatalytic properties CrystEngComm, 2021, 23, 5176-5183
7242627	CIF	C21 H20 Co Mo4 N6 O18	P 1 21/n 1	15.892; 16.61; 16.579 90; 110.912; 90	4088	Wang, Xiuli; Li, Lei; Wang, Xiang; Zhang, Yuqing Various amide-derived ligands induced five octamolybdate-based metal‒organic complexes: synthesis, structure, electrochemical sensing and photocatalytic properties CrystEngComm, 2021, 23, 5176-5183
7242628	CIF	C26 H20 Co Mo8 N8 O28	P 1 21/c 1	8.3887; 12.411; 20.052 90; 94.027; 90	2082.5	Wang, Xiuli; Li, Lei; Wang, Xiang; Zhang, Yuqing Various amide-derived ligands induced five octamolybdate-based metal‒organic complexes: synthesis, structure, electrochemical sensing and photocatalytic properties CrystEngComm, 2021, 23, 5176-5183
7242629	CIF	C26 H20 Mo8 N8 O28 Zn	P 1 21/c 1	8.3998; 12.4831; 20.0657 90; 94.106; 90	2098.6	Wang, Xiuli; Li, Lei; Wang, Xiang; Zhang, Yuqing Various amide-derived ligands induced five octamolybdate-based metal‒organic complexes: synthesis, structure, electrochemical sensing and photocatalytic properties CrystEngComm, 2021, 23, 5176-5183
7242630	CIF	C21 H19 Mo4 N6 Ni O18	P 1 21/n 1	15.958; 16.5096; 16.5324 90; 111.402; 90	4055.3	Wang, Xiuli; Li, Lei; Wang, Xiang; Zhang, Yuqing Various amide-derived ligands induced five octamolybdate-based metal‒organic complexes: synthesis, structure, electrochemical sensing and photocatalytic properties CrystEngComm, 2021, 23, 5176-5183
7242631	CIF	C64 H48 Cu2 N16 O40 Si W12	P -1	11.473; 13.285; 15.134 77.821; 71.632; 76.796	2107.1	Wang, Xiang; Li, Yunhui; Zhang, Tong; Ma, Sijia; Wang, Xiuli Assembly, structures and properties of polyoxometalate-based supramolecular complexes involving in situ transformation of single-branch N-donor cyano ligands CrystEngComm, 2021, 23, 3477-3487
7242632	CIF	C120 H102 Cu4 Mo12 N16 O60 Si	P -1	14.4073; 14.6547; 18.0891 98.781; 92.723; 112.217	3471.1	Wang, Xiang; Li, Yunhui; Zhang, Tong; Ma, Sijia; Wang, Xiuli Assembly, structures and properties of polyoxometalate-based supramolecular complexes involving in situ transformation of single-branch N-donor cyano ligands CrystEngComm, 2021, 23, 3477-3487
7242633	CIF	C120 H98 Cu4 Mo12 N16 O60 P	P -1	14.386; 14.6213; 18.0964 98.825; 92.764; 112.21	3458.7	Wang, Xiang; Li, Yunhui; Zhang, Tong; Ma, Sijia; Wang, Xiuli Assembly, structures and properties of polyoxometalate-based supramolecular complexes involving in situ transformation of single-branch N-donor cyano ligands CrystEngComm, 2021, 23, 3477-3487
7242634	CIF	C32 H24 Co2 N8 O48 Si W12	P -1	11.2593; 12.2095; 12.6834 77.379; 70.498; 88.223	1602.2	Wang, Xiang; Li, Yunhui; Zhang, Tong; Ma, Sijia; Wang, Xiuli Assembly, structures and properties of polyoxometalate-based supramolecular complexes involving in situ transformation of single-branch N-donor cyano ligands CrystEngComm, 2021, 23, 3477-3487
7242635	CIF	C48 H42 Cu2 Mo12 N9 O48 P	P -1	13.186; 16.56; 17.567 86.945; 86.378; 76.76	3724	Wang, Xiang; Li, Yunhui; Zhang, Tong; Ma, Sijia; Wang, Xiuli Assembly, structures and properties of polyoxometalate-based supramolecular complexes involving in situ transformation of single-branch N-donor cyano ligands CrystEngComm, 2021, 23, 3477-3487
7242636	CIF	C210 H178 Cu6 Mo24 N28 O114 Si2	P -1	16.2488; 19.1465; 24.0881 67.688; 71.651; 66.913	6255.3	Wang, Xiang; Li, Yunhui; Zhang, Tong; Ma, Sijia; Wang, Xiuli Assembly, structures and properties of polyoxometalate-based supramolecular complexes involving in situ transformation of single-branch N-donor cyano ligands CrystEngComm, 2021, 23, 3477-3487
7242637	CIF	C17 H13 Cl2 N O2 S	P 61	9.6734; 9.6734; 31.308 90; 90; 120	2537.1	Gerasimova, Daria P.; Saifina, Alina F.; Zakharychev, Dmitry V.; Fayzullin, Robert R.; Kurbangalieva, Almira R.; Lodochnikova, Olga A. The second example of doubly enantiophobic behavior during crystallization: a detailed crystallographic, thermochemical and spectroscopic study CrystEngComm, 2021, 23, 3907-3918
7242638	CIF	C17 H13 Cl2 N O2 S	P 1 21 1	9.0476; 8.5404; 11.4193 90; 113.152; 90	811.31	Gerasimova, Daria P.; Saifina, Alina F.; Zakharychev, Dmitry V.; Fayzullin, Robert R.; Kurbangalieva, Almira R.; Lodochnikova, Olga A. The second example of doubly enantiophobic behavior during crystallization: a detailed crystallographic, thermochemical and spectroscopic study CrystEngComm, 2021, 23, 3907-3918
7242639	CIF	C22 H20 Cl6 N4 Ni O2	I 1 2/a 1	15.0319; 11.2984; 16.0579 90; 107.022; 90	2607.74	Bertini, Simone; Rahaman, Motiar; Dutta, Abhijit; Schollhammer, Philippe; Rudnev, Alexander V.; Gloaguen, Fredric; Broekmann, Peter; Albrecht, Martin Oxo-functionalised mesoionic NHC nickel complexes for selective electrocatalytic reduction of CO2 to formate Green Chemistry, 2021, 23, 3365-3373
7242640	CIF	C42 H64 N6 Ni O2	I 1 2/a 1	12.7952; 18.3813; 18.9751 90; 109.067; 90	4217.96	Bertini, Simone; Rahaman, Motiar; Dutta, Abhijit; Schollhammer, Philippe; Rudnev, Alexander V.; Gloaguen, Fredric; Broekmann, Peter; Albrecht, Martin Oxo-functionalised mesoionic NHC nickel complexes for selective electrocatalytic reduction of CO2 to formate Green Chemistry, 2021, 23, 3365-3373
7242641	CIF	C30 H40 N6 Ni O2	C 1 2/c 1	12.0724; 10.2682; 24.5315 90; 102.057; 90	2973.89	Bertini, Simone; Rahaman, Motiar; Dutta, Abhijit; Schollhammer, Philippe; Rudnev, Alexander V.; Gloaguen, Fredric; Broekmann, Peter; Albrecht, Martin Oxo-functionalised mesoionic NHC nickel complexes for selective electrocatalytic reduction of CO2 to formate Green Chemistry, 2021, 23, 3365-3373
7242642	CIF	C30 H24 N6 Ni O2	P 1 21/n 1	7.7855; 14.7244; 22.189 90; 98.032; 90	2518.72	Bertini, Simone; Rahaman, Motiar; Dutta, Abhijit; Schollhammer, Philippe; Rudnev, Alexander V.; Gloaguen, Fredric; Broekmann, Peter; Albrecht, Martin Oxo-functionalised mesoionic NHC nickel complexes for selective electrocatalytic reduction of CO2 to formate Green Chemistry, 2021, 23, 3365-3373
7242643	CIF	C26 H34 N6 Ni O3	P 1 21/n 1	12.8828; 18.5259; 22.3137 90; 98.798; 90	5262.85	Bertini, Simone; Rahaman, Motiar; Dutta, Abhijit; Schollhammer, Philippe; Rudnev, Alexander V.; Gloaguen, Fredric; Broekmann, Peter; Albrecht, Martin Oxo-functionalised mesoionic NHC nickel complexes for selective electrocatalytic reduction of CO2 to formate Green Chemistry, 2021, 23, 3365-3373
7242644	CIF	C36 H36 N6 Ni O2	P 1 21/n 1	11.1131; 10.3896; 14.6952 90; 109.634; 90	1598.07	Bertini, Simone; Rahaman, Motiar; Dutta, Abhijit; Schollhammer, Philippe; Rudnev, Alexander V.; Gloaguen, Fredric; Broekmann, Peter; Albrecht, Martin Oxo-functionalised mesoionic NHC nickel complexes for selective electrocatalytic reduction of CO2 to formate Green Chemistry, 2021, 23, 3365-3373
7242645	CIF	C64 H78.15 Cu2 N8 O19.07	P 1 21/n 1	9.7157; 21.115; 17.2695 90; 101.485; 90	3471.85	Appavoo, Divambal; Spencer, Lara C.; Guzei, Ilia A.; Gómez-García, Carlos J.; van Wyk, Juanita L.; Darkwa, James Ring opening polymerization of d,l-lactide and ε-caprolactone catalysed by (pyrazol-1-yl)copper(ii) carboxylate complexes RSC Advances, 2021, 11, 13475-13485
7242646	CIF	C32 H28 Cu N8 O12	P 1 21/c 1	14.1819; 19.8388; 11.961 90; 96.814; 90	3341.5	Appavoo, Divambal; Spencer, Lara C.; Guzei, Ilia A.; Gómez-García, Carlos J.; van Wyk, Juanita L.; Darkwa, James Ring opening polymerization of d,l-lactide and ε-caprolactone catalysed by (pyrazol-1-yl)copper(ii) carboxylate complexes RSC Advances, 2021, 11, 13475-13485
7242647	CIF	C64 H64 Cu2 N8 O8	P -1	10.468; 10.853; 13.43 79.52; 73.95; 88.13	1441.6	Appavoo, Divambal; Spencer, Lara C.; Guzei, Ilia A.; Gómez-García, Carlos J.; van Wyk, Juanita L.; Darkwa, James Ring opening polymerization of d,l-lactide and ε-caprolactone catalysed by (pyrazol-1-yl)copper(ii) carboxylate complexes RSC Advances, 2021, 11, 13475-13485
7242648	CIF	C46 H38 Cl4 Cu2 N4 O8	P 42/n :2	16.2772; 16.2772; 17.3126 90; 90; 90	4586.93	Appavoo, Divambal; Spencer, Lara C.; Guzei, Ilia A.; Gómez-García, Carlos J.; van Wyk, Juanita L.; Darkwa, James Ring opening polymerization of d,l-lactide and ε-caprolactone catalysed by (pyrazol-1-yl)copper(ii) carboxylate complexes RSC Advances, 2021, 11, 13475-13485
7242649	CIF	C12 H12 N8 Zn2	C 1 2/m 1	25.7398; 23.6271; 9.7094 90; 106.926; 90	5649	Meng, Qianqian; Wang, Jiang; Shi, Qi; Dong, Jinxiang Synthesis of a new ATN-type zeolitic imidazolate framework through cooperative effects of N,N-dipropylformamide and n-butylamine CrystEngComm, 2021, 23, 3429-3433
7242650	CIF	C41 H51 N13 O13 S4	P -1	7.1866; 12.4312; 13.8896 93.039; 96.532; 93.712	1227.94	Nakayama, Kentaro; Manako, Taisuke; Koibuchi, Ryo; Yoshikawa, Isao; Houjou, Hirohiko Ratchet-like mechanism in a long-life photoproduct of salicylideneaniline enclathrated in a pillared-layer guanidinium disulfonate structure RSC Advances, 2021, 11, 13739-13742
7242651	CIF	C37 H47 N13 O13 S4	P -1	7.1218; 12.5455; 13.6688 113.601; 99.3307; 91.6841	1098.28	Nakayama, Kentaro; Manako, Taisuke; Koibuchi, Ryo; Yoshikawa, Isao; Houjou, Hirohiko Ratchet-like mechanism in a long-life photoproduct of salicylideneaniline enclathrated in a pillared-layer guanidinium disulfonate structure RSC Advances, 2021, 11, 13739-13742
7242652	CIF	Mo4 O23 Sr11	F d -3 m :2	16.61883; 16.61883; 16.61883 90; 90; 90	4589.88	Miranda, Carlos Darío; Villarroel-Rocha, Dimar; Sapag, Karim; López, Carlos Alberto; Pedregosa, José Carmelo; Alonso, José Antonio Synthesis conditions impact on Sr11Mo4O23 electroceramic: crystal structure, stability and transport properties RSC Advances, 2021, 11, 13814-13820
7242653	CIF	Mo4 O23 Sr11	P -1	16.5443; 16.5736; 16.553 90.0771; 90.3235; 89.9506	4538.73	Miranda, Carlos Darío; Villarroel-Rocha, Dimar; Sapag, Karim; López, Carlos Alberto; Pedregosa, José Carmelo; Alonso, José Antonio Synthesis conditions impact on Sr11Mo4O23 electroceramic: crystal structure, stability and transport properties RSC Advances, 2021, 11, 13814-13820
7242654	CIF	Mo4 O23 Sr11	P -1	16.4007; 16.4236; 16.409 90.084; 90.4494; 89.964	4419.8	Miranda, Carlos Darío; Villarroel-Rocha, Dimar; Sapag, Karim; López, Carlos Alberto; Pedregosa, José Carmelo; Alonso, José Antonio Synthesis conditions impact on Sr11Mo4O23 electroceramic: crystal structure, stability and transport properties RSC Advances, 2021, 11, 13814-13820
7242655	CIF	Mo4 O23 Sr11	P -1	16.4952; 16.5214; 16.504 90.064; 90.3338; 89.974	4497.7	Miranda, Carlos Darío; Villarroel-Rocha, Dimar; Sapag, Karim; López, Carlos Alberto; Pedregosa, José Carmelo; Alonso, José Antonio Synthesis conditions impact on Sr11Mo4O23 electroceramic: crystal structure, stability and transport properties RSC Advances, 2021, 11, 13814-13820
7242656	CIF	M O27 Sr11	P -1	16.4413; 16.4661; 16.4515 90.08; 90.4085; 89.969	4453.7	Miranda, Carlos Darío; Villarroel-Rocha, Dimar; Sapag, Karim; López, Carlos Alberto; Pedregosa, José Carmelo; Alonso, José Antonio Synthesis conditions impact on Sr11Mo4O23 electroceramic: crystal structure, stability and transport properties RSC Advances, 2021, 11, 13814-13820
7242657	CIF	C10 H5 Cl I N O2	P -1	8.8632; 9.5113; 13.014 102.966; 90.5478; 109.479	1003.66	Kim, Juhwan; Umerani, Mehran J.; Kurakake, Reina; Qin, Huiting; Ziller, Joseph W.; Gorodetsky, Alon A.; Park, Young S. An aza-Diels–Alder approach to chlorinated quinolines, benzoquinolines, and polybenzoquinolines RSC Advances, 2021, 11, 13722-13730
7242658	CIF	C16.25 H15.75 N1.25 O6 Zn	P b a m	25.411; 16.573; 16.573 90; 90; 90	6979	Zhang, Hao; Geng, Wu-Yue; Luo, Yu-Hui; Ding, Zi-Jun; Wang, Zhi-Xuan; Xie, A.-Di; Zhang, Dong-En Reticular synthesis of two anionic Zn(ii)-MOFs for organic dye adsorption/separation and lanthanide ion sensitization CrystEngComm, 2021, 23, 3319-3325
7242659	CIF	C26 H36 N3.5 O9.5 Zn	P b a m	17.693; 33.688; 16.248 90; 90; 90	9684	Zhang, Hao; Geng, Wu-Yue; Luo, Yu-Hui; Ding, Zi-Jun; Wang, Zhi-Xuan; Xie, A.-Di; Zhang, Dong-En Reticular synthesis of two anionic Zn(ii)-MOFs for organic dye adsorption/separation and lanthanide ion sensitization CrystEngComm, 2021, 23, 3319-3325
7242660	CIF	C20 H16 Bi2 Br6 N4 O4	P -1	9.5836; 9.5888; 10.0923 67.643; 88.319; 61.421	739.79	Jin, Jian-Ce; Lin, Yang-Peng; Lin, Li-Fang; Xiao, Cao; Song, Ying; Shen, Nan-Nan; Gong, Liao-Kuo; Zhang, Zhi-Zhuan; Du, Ke-Zhao; Huang, Xiao-Ying 2,2′-Bipyridyl-1,1′-dioxide based bismuth(iii) bromide hybrids: studies on crystal structure and luminescence CrystEngComm, 2021, 23, 3744-3752
7242661	CIF	C21 H17.5 Bi2 Br6 N4.5 O4	C 1 2/c 1	16.702; 13.373; 27.508 90; 98.96; 90	6069	Jin, Jian-Ce; Lin, Yang-Peng; Lin, Li-Fang; Xiao, Cao; Song, Ying; Shen, Nan-Nan; Gong, Liao-Kuo; Zhang, Zhi-Zhuan; Du, Ke-Zhao; Huang, Xiao-Ying 2,2′-Bipyridyl-1,1′-dioxide based bismuth(iii) bromide hybrids: studies on crystal structure and luminescence CrystEngComm, 2021, 23, 3744-3752
7242662	CIF	C20 H30 Bi Br4 N3 O2	P 1 21/c 1	16.7831; 10.2718; 15.2355 90; 94.446; 90	2618.6	Jin, Jian-Ce; Lin, Yang-Peng; Lin, Li-Fang; Xiao, Cao; Song, Ying; Shen, Nan-Nan; Gong, Liao-Kuo; Zhang, Zhi-Zhuan; Du, Ke-Zhao; Huang, Xiao-Ying 2,2′-Bipyridyl-1,1′-dioxide based bismuth(iii) bromide hybrids: studies on crystal structure and luminescence CrystEngComm, 2021, 23, 3744-3752
7242663	CIF	Fe5 Mo7 O28 Rb	P 1 21/m 1	6.8987; 21.2912; 8.6833 90; 102.19; 90	1246.66	Chimitova, O. D.; Bazarov, B. G.; Bazarova, J. G.; Atuchin, V. V.; Azmi, R.; Sarapulova, A. E.; Mikhailova, D.; Balachandran, G.; Fiedler, A.; Geckle, U.; Prots, Yu.; Komarek, A. C.; Gavrilova, T. A.; Prosvirin, I. P.; Yang, Yi; Lin, Zheshuai; Knapp, M.; Ehrenberg, H. The crystal growth and properties of novel magnetic double molybdate RbFe5(MoO4)7 with mixed Fe3+/Fe2+ states and 1D negative thermal expansion CrystEngComm, 2021, 23, 3297-3307
7242664	CIF	C12 H11 N4 O1.5	C 1 2/c 1	18.0472; 7.044; 16.9293 90; 96.096; 90	2139.96	Niu, Kaikai; Ding, Ling; Zhou, Pan; Hao, Yanke; Liu, Yuxiu; Song, Hongjian; Wang, Qingmin Electro-oxidative C‒H azolation of quinoxalin-2(1H)-ones Green Chemistry, 2021, 23, 3246-3249
7242665	CIF	C9 H10 N6 O3	P -1	10.2977; 17.1374; 25.7887 85.798; 85.562; 77.91	4429.2	Caimac, Nicoleta; Melnic, Elena; Chisca, Diana; Fonari, Marina S. 2,4-Diamino-6-phenyl-1,3,5-triazin-1-ium nitrate: intriguing crystal structure with high Z′/Z′′ and hydrogen bond numbers and Hirshfeld surface analysis of intermolecular interactions CrystEngComm, 2021, 23, 3099-3108
7242666	CIF	C43 H35 Cu N5 O10	P -1	11.1425; 12.3552; 15.2616 91.131; 104.168; 112.006	1874.1	Ali, Arif; Banerjee, Somesh; Kamaal, Saima; Usman, Mohammad; Das, Neeladrisingha; Afzal, Mohd; Alarifi, Abdullah; Sepay, Nayim; Roy, Partha; Ahmad, Musheer Ligand substituent effect on the cytotoxicity activity of two new copper(ii) complexes bearing 8-hydroxyquinoline derivatives: validated by MTT assay and apoptosis in MCF-7 cancer cell line (human breast cancer) RSC Advances, 2021, 11, 14362-14373
7242667	CIF	C43 H36 Cu N4 O12	P -1	11.6573; 12.7849; 15.4024 66.799; 71.044; 65.341	1881.8	Ali, Arif; Banerjee, Somesh; Kamaal, Saima; Usman, Mohammad; Das, Neeladrisingha; Afzal, Mohd; Alarifi, Abdullah; Sepay, Nayim; Roy, Partha; Ahmad, Musheer Ligand substituent effect on the cytotoxicity activity of two new copper(ii) complexes bearing 8-hydroxyquinoline derivatives: validated by MTT assay and apoptosis in MCF-7 cancer cell line (human breast cancer) RSC Advances, 2021, 11, 14362-14373
7242668	CIF	C13 H15 N3 O2	P n a 21	12.3714; 18.5178; 5.6651 90; 90; 90	1297.8	Brahma, Rinki; Baruah, Jubaraj B. Intrinsic structural features of coordination polymers make an impact on dye selectivity CrystEngComm, 2021, 23, 3812-3827
7242669	CIF	C30 H34 N6 O8 Zn	P c c n	11.626; 30.46; 8.952 90; 90; 90	3170	Brahma, Rinki; Baruah, Jubaraj B. Intrinsic structural features of coordination polymers make an impact on dye selectivity CrystEngComm, 2021, 23, 3812-3827
7242670	CIF	C34 H34 Co N6 O8	P 1 21/n 1	11.4051; 8.0096; 19.454 90; 106.613; 90	1702.9	Brahma, Rinki; Baruah, Jubaraj B. Intrinsic structural features of coordination polymers make an impact on dye selectivity CrystEngComm, 2021, 23, 3812-3827
7242671	CIF	C30 H32 Co N6 O8	P c c n	30.4091; 11.6865; 8.9577 90; 90; 90	3183.4	Brahma, Rinki; Baruah, Jubaraj B. Intrinsic structural features of coordination polymers make an impact on dye selectivity CrystEngComm, 2021, 23, 3812-3827
7242672	CIF	C30 H32 N6 O8 Zn	P c c n	11.7; 30.466; 8.959 90; 90; 90	3193.5	Brahma, Rinki; Baruah, Jubaraj B. Intrinsic structural features of coordination polymers make an impact on dye selectivity CrystEngComm, 2021, 23, 3812-3827
7242673	CIF	C30 H34 Co N6 O8	P c c n	11.653; 30.448; 8.96 90; 90; 90	3179	Brahma, Rinki; Baruah, Jubaraj B. Intrinsic structural features of coordination polymers make an impact on dye selectivity CrystEngComm, 2021, 23, 3812-3827
7242674	CIF	C6 H4 Ag2 N2 O5 S	P 1 21/n 1	13.896; 4.8595; 15.28 90; 111.44; 90	960.4	Lin, Yuan; Jiang, Huijie; Liang, Guangling; Deng, Wei-Hua; Li, Qiaohong; Li, Wen-Hua; Xu, Gang The exceptionally high moisture responsiveness of a new conductive-coordination-polymer based chemiresistive sensor CrystEngComm, 2021, 23, 3549-3556
7242675	CIF	C13 H12 O3 S2	P -1	5.5069; 13.3044; 35.296 84.488; 88.558; 89.975	2573.2	Pampana, V. Kishore Kumar; Charpe, Vaibhav Pramod; Sagadevan, Arunachalam; Das, Deb Kumar; Lin, Chun-Cheng; Hwu, Jih Ru; Hwang, Kuo Chu Oxy-sulfonylation of terminal alkynes via C–S coupling enabled by copper photoredox catalysis Green Chemistry, 2021, 23, 3569-3574
7242676	CIF	C14 H11 Cl O3 S	P b c a	13.3682; 7.2588; 26.6061 90; 90; 90	2581.78	Pampana, V. Kishore Kumar; Charpe, Vaibhav Pramod; Sagadevan, Arunachalam; Das, Deb Kumar; Lin, Chun-Cheng; Hwu, Jih Ru; Hwang, Kuo Chu Oxy-sulfonylation of terminal alkynes via C–S coupling enabled by copper photoredox catalysis Green Chemistry, 2021, 23, 3569-3574
7242677	CIF	C20 H19 Br3 N4 O	C 1 c 1	4.8625; 27.236; 16.031 90; 97.22; 90	2106.2	Hossain, Anowar; Dey, Arka; Seth, Saikat Kumar; Ray, Partha Pratim; Ortega-Castro, Joaquín; Frontera, Antonio; Mukhopadhyay, Subrata Anion-dependent structural variations and charge transport property analysis of 4′-(3-pyridyl)-4,2′:6′,4′′-terpyridinium salts CrystEngComm, 2021, 23, 3569-3581
7242678	CIF	C20 H21 Cl3 N4 O2	C 1 c 1	4.6889; 27.4022; 16.2907 90; 95.444; 90	2083.69	Hossain, Anowar; Dey, Arka; Seth, Saikat Kumar; Ray, Partha Pratim; Ortega-Castro, Joaquín; Frontera, Antonio; Mukhopadhyay, Subrata Anion-dependent structural variations and charge transport property analysis of 4′-(3-pyridyl)-4,2′:6′,4′′-terpyridinium salts CrystEngComm, 2021, 23, 3569-3581
7242679	CIF	C20 H19 Cl3 N4 O13	P -1	7.9128; 12.1194; 14.6144 111.868; 97.267; 95.94	1272.82	Hossain, Anowar; Dey, Arka; Seth, Saikat Kumar; Ray, Partha Pratim; Ortega-Castro, Joaquín; Frontera, Antonio; Mukhopadhyay, Subrata Anion-dependent structural variations and charge transport property analysis of 4′-(3-pyridyl)-4,2′:6′,4′′-terpyridinium salts CrystEngComm, 2021, 23, 3569-3581
7242680	CIF	C47 H55 Ce2 N5 O20	C 1 2/c 1	28.619; 14.2049; 14.1485 90; 100.174; 90	5661.4	Xue, Yun-Shan; Ding, Ji; Sun, Dan-Ling; Cheng, Wei-Wei; Chen, Xuan-Rong; Huang, Xing-Cai; Wang, Jun 3D Ln-MOFs as multi-responsive luminescent probes for efficient sensing of Fe3+, Cr2O72−, and antibiotics in aqueous solution CrystEngComm, 2021, 23, 3838-3848
7242681	CIF	C47 H53 Gd2 N5 O19	C 1 2/c 1	28.4297; 14.2555; 13.8161 90; 100.144; 90	5511.9	Xue, Yun-Shan; Ding, Ji; Sun, Dan-Ling; Cheng, Wei-Wei; Chen, Xuan-Rong; Huang, Xing-Cai; Wang, Jun 3D Ln-MOFs as multi-responsive luminescent probes for efficient sensing of Fe3+, Cr2O72−, and antibiotics in aqueous solution CrystEngComm, 2021, 23, 3838-3848
7242682	CIF	C22 H23 Eu N2 O9	C 1 2/c 1	28.698; 14.307; 13.8772 90; 99.521; 90	5619.2	Xue, Yun-Shan; Ding, Ji; Sun, Dan-Ling; Cheng, Wei-Wei; Chen, Xuan-Rong; Huang, Xing-Cai; Wang, Jun 3D Ln-MOFs as multi-responsive luminescent probes for efficient sensing of Fe3+, Cr2O72−, and antibiotics in aqueous solution CrystEngComm, 2021, 23, 3838-3848
7242683	CIF	C32 H23 Dy2 O16.5	R -3 :H	19.6983; 19.6983; 45.34 90; 90; 120	15236	Xue, Yun-Shan; Ding, Ji; Sun, Dan-Ling; Cheng, Wei-Wei; Chen, Xuan-Rong; Huang, Xing-Cai; Wang, Jun 3D Ln-MOFs as multi-responsive luminescent probes for efficient sensing of Fe3+, Cr2O72−, and antibiotics in aqueous solution CrystEngComm, 2021, 23, 3838-3848
7242684	CIF	C47 H53 N5 O19 Pr2	C 1 2/c 1	28.5809; 14.1925; 14.113 90; 99.9937; 90	5637.9	Xue, Yun-Shan; Ding, Ji; Sun, Dan-Ling; Cheng, Wei-Wei; Chen, Xuan-Rong; Huang, Xing-Cai; Wang, Jun 3D Ln-MOFs as multi-responsive luminescent probes for efficient sensing of Fe3+, Cr2O72−, and antibiotics in aqueous solution CrystEngComm, 2021, 23, 3838-3848
7242685	CIF	C47 H53 N5 O19 Sm2	C 1 2/c 1	28.531; 14.3021; 13.7731 90; 100.718; 90	5522.1	Xue, Yun-Shan; Ding, Ji; Sun, Dan-Ling; Cheng, Wei-Wei; Chen, Xuan-Rong; Huang, Xing-Cai; Wang, Jun 3D Ln-MOFs as multi-responsive luminescent probes for efficient sensing of Fe3+, Cr2O72−, and antibiotics in aqueous solution CrystEngComm, 2021, 23, 3838-3848
7242686	CIF	C32 H23 Ho2 O16.5	R -3 :H	19.6548; 19.6548; 45.295 90; 90; 120	15153.7	Xue, Yun-Shan; Ding, Ji; Sun, Dan-Ling; Cheng, Wei-Wei; Chen, Xuan-Rong; Huang, Xing-Cai; Wang, Jun 3D Ln-MOFs as multi-responsive luminescent probes for efficient sensing of Fe3+, Cr2O72−, and antibiotics in aqueous solution CrystEngComm, 2021, 23, 3838-3848
7242687	CIF	C14 H12 Cl N O2	P 1 21/c 1	10.5841; 7.8503; 14.9718 90; 101.399; 90	1219.44	Sacchi, Pietro; Reutzel-Edens, Susan M.; Cruz-Cabeza, Aurora J. The unexpected discovery of the ninth polymorph of tolfenamic acid CrystEngComm, 2021, 23, 3636-3647
7242688	CIF	C3.26 H3.37 F0.63 O0.11 P0.11 S0.32	P -1	10.825; 11.925; 12.194 71.857; 77.095; 72.995	1415.2	Bendix, Jesper; Bechgaard, Klaus; Christensen, Jørn Bolstad A new donor for charge-transfer systems: synthesis and properties of 2,4,7,9-tetramethyl-1,6-dithiapyrene (TMDTP) and structure of (TMDTP)3(PF6)2·2THF and TMDTP‒TCNQ RSC Advances, 2021, 11, 14607-14614
7242689	CIF	C9 H8 S	P -1	3.9618; 9.211; 9.8478 105.537; 90.439; 96.653	343.62	Bendix, Jesper; Bechgaard, Klaus; Christensen, Jørn Bolstad A new donor for charge-transfer systems: synthesis and properties of 2,4,7,9-tetramethyl-1,6-dithiapyrene (TMDTP) and structure of (TMDTP)3(PF6)2·2THF and TMDTP‒TCNQ RSC Advances, 2021, 11, 14607-14614
7242690	CIF	C30 H20 N4 S2	P -1	3.7098; 17.1976; 20.181 82.379; 89.939; 86.046	1273.1	Bendix, Jesper; Bechgaard, Klaus; Christensen, Jørn Bolstad A new donor for charge-transfer systems: synthesis and properties of 2,4,7,9-tetramethyl-1,6-dithiapyrene (TMDTP) and structure of (TMDTP)3(PF6)2·2THF and TMDTP‒TCNQ RSC Advances, 2021, 11, 14607-14614
7242691	CIF	C32 H33 N O6	P b c a	10.0422; 22.1419; 26.2315 90; 90; 90	5832.7	Thangamani, Murugesan; Thangamalar, Subaramaniam; Srinivasan, Kannupal Tin(iv) chloride mediated (3 + 2) annulation of trans-2-aroyl-3-styrylcyclopropane-1,1-dicarboxylates with nitriles: diastereoselective access to 5-vinyl-1-pyrroline derivatives RSC Advances, 2021, 11, 14980-14985
7242692	CIF	C36 H44 Cu10 I4 N12 O S6	P 41 21 2	14.182; 14.182; 29.472 90; 90; 90	5927.7	Zhang, Meng Juan; Young, David James; Ma, Ji Long; Shao, Guo Quan Copper(i) pyrimidine-2-thiolate cluster-based polymers as bifunctional visible-light-photocatalysts for chemoselective transfer hydrogenation of α,β-unsaturated carbonyls RSC Advances, 2021, 11, 14899-14904
7242693	CIF	C39 H45 Cl6 Cu11 I5 N12 S6	C 1 2/c 1	28.313; 15.0425; 20.956 90; 124.589; 90	7347.6	Zhang, Meng Juan; Young, David James; Ma, Ji Long; Shao, Guo Quan Copper(i) pyrimidine-2-thiolate cluster-based polymers as bifunctional visible-light-photocatalysts for chemoselective transfer hydrogenation of α,β-unsaturated carbonyls RSC Advances, 2021, 11, 14899-14904
7242694	CIF	C28 H24 Cu2 N2 O10	P n n a	24.2206; 18.2735; 17.7634 90; 90; 90	7862	Li, Anqi; Ma, Xiaofan; Ma, Jie; Yuan, Qingyi; Zhang, Jun; Xuan, Xiaopeng A self-made portable separation device based on 2-D MOF nanosheets for the efficient separation of dyes in solutions CrystEngComm, 2021, 23, 3989-3994
7242695	CIF	C14 H11 F N2 O2	P -1	7.4017; 9.1653; 9.6034 97.121; 98.953; 106.99	605.48	Tiwari, Surbhi; Arya, Neeru; Mishra, Sandeep Kumar; Suryaprakash, N. Competing HB acceptors: an extensive NMR investigations corroborated by single crystal XRD and DFT calculations RSC Advances, 2021, 11, 15195-15202
7242696	CIF	C15 H10 N4	P 1 21/n 1	6.8961; 12.333; 13.6728 90; 96.385; 90	1155.65	Gong, Ya-Ping; Yang, Jian; Fang, Ji-Wang; Li, Qian; Yu, Zhi-Yong; Guan, Aijiao; Gong, Han-Yuan A DNA small molecular probe with increasing K+ concentration promoted selectivity RSC Advances, 2021, 11, 15030-15035
7242697	CIF	C8 H7 N O6	P 1 21/c 1	8.9555; 10.1597; 9.9607 90; 110.056; 90	851.32	Gill, Daniel M.; R. Povinelli, Ana Paula; Zazeri, Gabriel; Shamir, Sabrina A.; Mahmoud, Ayman M.; Wilkinson, Fiona L.; Alexander, M. Yvonne; L. Cornelio, Marinonio; Jones, Alan M. The modulatory role of sulfated and non-sulfated small molecule heparan sulfate-glycomimetics in endothelial dysfunction: absolute structural clarification, molecular docking and simulated dynamics, SAR analyses and ADMET studies RSC Medicinal Chemistry, 2021
7242698	CIF	C24 H20 Co N4	P 1 21/c 1	11.385; 5.4371; 14.32 90; 105.333; 90	854.9	Takahashi, Yukihiro; Ishida, Kenshiro; Matsuno, Sarasa; Kurokawa, Masashi; Shimada, Takuro; Harada, Jun; Inabe, Tamotsu Charge injection phenomena at the contact interface between (5,10,15,20-tetramethylporphyrinato)cobalt(ii) and 2,5-difluoro-7,7,8,8-tetracyanoquinodimethane single crystals CrystEngComm, 2021, 23, 3975-3980
7242699	CIF	C18 H17 N O	P -1	8.4385; 11.64; 15.505 72.57; 78.032; 77.754	1403	Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen DCM self-trapping by the host deformation in flexible host–guest molecules CrystEngComm, 2021, 23, 4136-4142
7242700	CIF	C37.5 H29.5 Cl4.5 Ir N3 O2	P 1 21 1	11.6933; 19.4475; 15.7924 90; 104.568; 90	3475.8	Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen DCM self-trapping by the host deformation in flexible host–guest molecules CrystEngComm, 2021, 23, 4136-4142
7242701	CIF	C36 H30 Ir N3 O2	P -1	9.5848; 11.213; 15.3359 79.265; 87.618; 83.077	1607.26	Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen DCM self-trapping by the host deformation in flexible host‒guest molecules CrystEngComm, 2021, 23, 4136-4142
7242702	CIF	C36 H28 Ir N3 O2	P 1 21 1	10.9116; 12.8156; 11.1952 90; 116.915; 90	1395.9	Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen DCM self-trapping by the host deformation in flexible host‒guest molecules CrystEngComm, 2021, 23, 4136-4142
7242703	CIF	C37 H34 Ir N3 O3	P 43	17.1672; 17.1672; 11.4013 90; 90; 90	3360.11	Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen DCM self-trapping by the host deformation in flexible host‒guest molecules CrystEngComm, 2021, 23, 4136-4142
7242704	CIF	C84 H120 Cl8 N6 O4 Zn2	P 1 21/n 1	11.0806; 14.0971; 27.4716 90; 96.807; 90	4260.93	Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen DCM self-trapping by the host deformation in flexible host–guest molecules CrystEngComm, 2021, 23, 4136-4142
7242705	CIF	C18 H15 N O2	P 1 21/c 1	7.119; 20.3309; 9.5266 90; 96.058; 90	1371.14	Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen DCM self-trapping by the host deformation in flexible host–guest molecules CrystEngComm, 2021, 23, 4136-4142
7242706	CIF	C18 H16 F N O	P -1	8.5788; 11.5484; 15.5295 71.665; 76.089; 77.225	1399.8	Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen DCM self-trapping by the host deformation in flexible host–guest molecules CrystEngComm, 2021, 23, 4136-4142
7242707	CIF	C84 H120 Cl8 N6 O4 Zn2	P 1 21/n 1	11.172; 14.4058; 28.4891 90; 99.187; 90	4526.3	Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen DCM self-trapping by the host deformation in flexible host–guest molecules CrystEngComm, 2021, 23, 4136-4142
7242708	CIF	C84 H120 Cl8 N6 O4 Zn2	P 1 21/n 1	11.1207; 14.2524; 28.2337 90; 98.503; 90	4425.76	Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen DCM self-trapping by the host deformation in flexible host–guest molecules CrystEngComm, 2021, 23, 4136-4142
7242709	CIF	C84 H120 Cl8 N6 O4 Zn2	P 1 21/n 1	11.0967; 14.131; 27.593 90; 97.044; 90	4294.13	Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen DCM self-trapping by the host deformation in flexible host–guest molecules CrystEngComm, 2021, 23, 4136-4142
7242710	CIF	C84 H120 Cl8 N6 O4 Zn2	P 1 21/n 1	11.1435; 14.3229; 28.3951 90; 98.853; 90	4478.1	Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen DCM self-trapping by the host deformation in flexible host–guest molecules CrystEngComm, 2021, 23, 4136-4142
7242711	CIF	C84 H120 Cl8 N6 O4 Zn2	P 1 21/n 1	11.1134; 14.2035; 28.0547 90; 98.077; 90	4384.48	Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen DCM self-trapping by the host deformation in flexible host–guest molecules CrystEngComm, 2021, 23, 4136-4142
7242712	CIF	C36 H27 Ir N3 O2	P 1 21 1	10.5542; 17.6038; 16.6076 90; 91.163; 90	3084.96	Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen DCM self-trapping by the host deformation in flexible host–guest molecules CrystEngComm, 2021, 23, 4136-4142
7242713	CIF	C32 H28 N16 Na4 O12 W2	P -1	12.1359; 13.8894; 13.9395 92.898; 97.773; 100.49	2282.32	Hodorowicz, Maciej; Jurowska, Anna; Szklarzewicz, Janusz Unusual structural changes going from Li+ to Cs+ in [W(CN)6(bpy)]2− ion salts: the Na+ case CrystEngComm, 2021, 23, 4301-4311
7242714	CIF	C18 H11 N9 Na2 O4.9 W	P -1	8.5595; 9.8622; 13.8861 94.349; 99.66; 98.206	1137.75	Hodorowicz, Maciej; Jurowska, Anna; Szklarzewicz, Janusz Unusual structural changes going from Li+ to Cs+ in [W(CN)6(bpy)]2− ion salts: the Na+ case CrystEngComm, 2021, 23, 4301-4311
7242715	CIF	C52 H36 N2	I b a 2	18.0128; 27.5447; 7.2185 90; 90; 90	3581.5	Sukegawa, Yoshihito; Sato, Kaito; Fujiwara, Wataru; Katagiri, Hiroshi; Yokoyama, Daisuke Effect of the conformer distribution on the properties of amorphous organic semiconductor films for organic light-emitting diodes Physical Chemistry Chemical Physics, 2021
7242716	CIF	C45 H36 Dy F9 N2 O6	P 1 21/n 1	11.4747; 26.5116; 15.3274 90; 103.836; 90	4527.5	Shen, Nan; Liang, Jing; Qu, Xiaoni; Liu, Sha; Zhu, Lin; Zhang, Sheng; Chen, Ling; Zhang, Jiangwei; Hu, Dengwei; Yin, Bing The influence of organic bases and substituted groups on coordination structures affording two mononuclear Dy(iii) single-molecule magnets (SMMs) and a novel Dy(iii)‒K(i) compound with unusually coordinated fluorine atoms CrystEngComm, 2021, 23, 4013-4027
7242717	CIF	C93 H72 Dy2 F24 K N O16	P -1	12.7036; 12.9201; 16.3475 78.309; 76.098; 65.756	2358.4	Shen, Nan; Liang, Jing; Qu, Xiaoni; Liu, Sha; Zhu, Lin; Zhang, Sheng; Chen, Ling; Zhang, Jiangwei; Hu, Dengwei; Yin, Bing The influence of organic bases and substituted groups on coordination structures affording two mononuclear Dy(iii) single-molecule magnets (SMMs) and a novel Dy(iii)‒K(i) compound with unusually coordinated fluorine atoms CrystEngComm, 2021, 23, 4013-4027
7242718	CIF	C51 H34 Dy F9 N4 O6	C 1 2/c 1	45.84; 19.6673; 25.2882 90; 115.257; 90	20619.1	Shen, Nan; Liang, Jing; Qu, Xiaoni; Liu, Sha; Zhu, Lin; Zhang, Sheng; Chen, Ling; Zhang, Jiangwei; Hu, Dengwei; Yin, Bing The influence of organic bases and substituted groups on coordination structures affording two mononuclear Dy(iii) single-molecule magnets (SMMs) and a novel Dy(iii)–K(i) compound with unusually coordinated fluorine atoms CrystEngComm, 2021, 23, 4013-4027
7242719	CIF	C22 H23 N3 O4	P 1 c 1	13.9641; 13.0136; 11.2102 90; 101.341; 90	1997.38	Thorat, Shridhar H.; George, Christy P.; Shaligram, Parth S.; P. R., Suresha; Gonnade, Rajesh G. Polymorphs and hydrates of the anticancer drug erlotinib: X-ray crystallography, phase transition and biopharmaceutical studies CrystEngComm, 2021, 23, 3961-3974
7242720	CIF	C22 H25 N3 O5	P -1	10.945; 13.203; 15.214 111.931; 95.97; 94.038	2014.1	Thorat, Shridhar H.; George, Christy P.; Shaligram, Parth S.; P. R., Suresha; Gonnade, Rajesh G. Polymorphs and hydrates of the anticancer drug erlotinib: X-ray crystallography, phase transition and biopharmaceutical studies CrystEngComm, 2021, 23, 3961-3974
7242721	CIF	C22 H29 N3 O7	P 1 21/c 1	4.883; 15.353; 30.034 90; 93.087; 90	2248.34	Thorat, Shridhar H.; George, Christy P.; Shaligram, Parth S.; P. R., Suresha; Gonnade, Rajesh G. Polymorphs and hydrates of the anticancer drug erlotinib: X-ray crystallography, phase transition and biopharmaceutical studies CrystEngComm, 2021, 23, 3961-3974
7242722	CIF	C16 H8 Br4 N2 O4	P n m a	9.4972; 14.745; 13.181 90; 90; 90	1845.8	Singha, Soumen; Jana, Rajkumar; Mondal, Rituparna; Ray, Partha Pratim; Bag, Partha Pratim; Gupta, Kajal; Pakhira, Nandan; Rizzoli, Corrado; Mallick, Arabinda; Kumar, Sanjay; Saha, Rajat Photo-responsive Schottky diode behavior of a donor–acceptor co-crystal with violet blue light emission CrystEngComm, 2021, 23, 3510-3523
7242723	CIF	C25 H38 Cl N7 O5 S	P 1 21/n 1	17.673; 8.2835; 21.405 90; 109.922; 90	2946	Ahmadi, Soroush; Mondal, Pradip Kumar; Mirmehrabi, Mahmoud; Rohani, Sohrab Desolvation of dasatinib methanolate: an improved anhydrous polymorph CrystEngComm, 2021, 23, 4272-4283
7242724	CIF	C31 H30 Co2 N4 O12	P b n b	7.6879; 16.0216; 25.5781 90; 90; 90	3150.52	Ramírez, Daniel J.; Alfonso Herrera, Luis A.; Colorado-Peralta, Raúl; Rodríguez, Rodolfo Peña; Camarillo Reyes, P. K.; Chiñas, Lidia Elena; Sánchez, Mario; Rivera, José María Highly efficient methyl orange adsorption by UV-012, a new crystalline Co(ii) MOF CrystEngComm, 2021, 23, 3537-3548
7242725	CIF	C14 H6 Cd N O6	P 1 21/c 1	12.501; 7.2941; 15.655 90; 102.12; 90	1395.7	Tao, Yufang; Jiang, Yansong; Huang, Yating; Liu, Junning; Zhang, Ping; Chen, Xiaodong; Fan, Yong; Wang, Li; Xu, Jianing Carbon dots@metal‒organic frameworks as dual-functional fluorescent sensors for Fe3+ ions and nitro explosives CrystEngComm, 2021, 23, 4038-4049
7242726	CIF	C28 H12 Cd3 N2 O12	C 1 2/c 1	15.1651; 10.8557; 16.4832 90; 104.808; 90	2623.47	Tao, Yufang; Jiang, Yansong; Huang, Yating; Liu, Junning; Zhang, Ping; Chen, Xiaodong; Fan, Yong; Wang, Li; Xu, Jianing Carbon dots@metal‒organic frameworks as dual-functional fluorescent sensors for Fe3+ ions and nitro explosives CrystEngComm, 2021, 23, 4038-4049
7242727	CIF	C9 H11 N O2	P n m a	15.113; 7.205; 8.356 90; 90; 90	909.9	Szklarz, Przemysław; Kinzhybalo, Vasyl; Bator, Grażyna Ferroelectricity and switching polarization on the C‒H⋯π bond in a pure organic molecular crystal ‒ 1,3,5-trimethylnitrobenzene CrystEngComm, 2021, 23, 4005-4012
7242728	CIF	C9 H11 N O2	P c a 21	16.306; 6.98; 15.165 90; 90; 90	1726	Szklarz, Przemysław; Kinzhybalo, Vasyl; Bator, Grażyna Ferroelectricity and switching polarization on the C–H⋯π bond in a pure organic molecular crystal – 1,3,5-trimethylnitrobenzene CrystEngComm, 2021, 23, 4005-4012
7242729	CIF	C62 H46 N10 O14 Zn2	P -1	8.9539; 11.8195; 15.091 68.416; 87.073; 72.227	1410.8	Qi, Lei; Wang, Mei; Li, Xinheng Graphene-induced growth of Co3O4 nanoplates with modulable oxygen vacancies for improved OER properties CrystEngComm, 2021, 23, 7928-7931
7242730	CIF	C51 H35 Cd2 N5 O13	P -1	10.5809; 14.2423; 15.2337 96.467; 94.236; 96.373	2258.27	Qi, Lei; Wang, Mei; Li, Xinheng Graphene-induced growth of Co3O4 nanoplates with modulable oxygen vacancies for improved OER properties CrystEngComm, 2021, 23, 7928-7931
7242731	CIF	C62 H46 N10 O14 Zn2	P -1	8.9539; 11.8195; 15.091 68.416; 87.073; 72.227	1410.8	Gong, Qin; Wang, Jun; Shi, Chuncheng; Liu, Qiang-Qiang; Lu, Lu; Singh, Amita; Kumar, Abhinav 1,3-Bis(4′-carboxylatophenoxy)benzene and 3,5-bis(1-imidazoly)pyridine derived Zn(ii)/Cd(ii) coordination polymers: synthesis, structure and photocatalytic properties CrystEngComm, 2021, 23, 3981-3988
7242732	CIF	C51 H35 Cd2 N5 O13	P -1	10.5809; 14.2423; 15.2337 96.467; 94.236; 96.373	2258.27	Gong, Qin; Wang, Jun; Shi, Chuncheng; Liu, Qiang-Qiang; Lu, Lu; Singh, Amita; Kumar, Abhinav 1,3-Bis(4′-carboxylatophenoxy)benzene and 3,5-bis(1-imidazoly)pyridine derived Zn(ii)/Cd(ii) coordination polymers: synthesis, structure and photocatalytic properties CrystEngComm, 2021, 23, 3981-3988
7242733	CIF	C33 H31 Cl2 O2 P2 Ru S	P -1	9.718; 10.552; 17.4 88.5; 82.77; 64.17	1592	Mukherjee, Aparajita; Bhattacharya, Samaresh Dual utility of a single diphosphine‒ruthenium complex: a precursor for new complexes and, a pre-catalyst for transfer-hydrogenation and Oppenauer oxidation RSC Advances, 2021, 11, 15617-15631
7242734	CIF	C46 H34 N4 O2 P2 Ru	P 1 21/n 1	11.5311; 21.0156; 16.2155 90; 94.246; 90	3918.8	Mukherjee, Aparajita; Bhattacharya, Samaresh Dual utility of a single diphosphine‒ruthenium complex: a precursor for new complexes and, a pre-catalyst for transfer-hydrogenation and Oppenauer oxidation RSC Advances, 2021, 11, 15617-15631
7242735	CIF	C60 H48 Cl2 O0 P4 Ru	P -1	10.5247; 11.621; 12.8705 86.888; 77.258; 80.961	1516.01	Mukherjee, Aparajita; Bhattacharya, Samaresh Dual utility of a single diphosphine‒ruthenium complex: a precursor for new complexes and, a pre-catalyst for transfer-hydrogenation and Oppenauer oxidation RSC Advances, 2021, 11, 15617-15631
7242736	CIF	C49 H40 N2 O4 P2 Ru	P -1	10.0627; 10.8128; 20.1657 76.224; 79.05; 84.212	2088.67	Mukherjee, Aparajita; Bhattacharya, Samaresh Dual utility of a single diphosphine–ruthenium complex: a precursor for new complexes and, a pre-catalyst for transfer-hydrogenation and Oppenauer oxidation RSC Advances, 2021, 11, 15617-15631
7242737	CIF	C16 H29 N O7	P 21 21 21	8.902; 9.3994; 21.8511 90; 90; 90	1828.36	Weber, Patrick; Fischer, Roland; Nasseri, Seyed A.; Stütz, Arnold E.; Thonhofer, Martin; Withers, Stephen G.; Wolfsgruber, Andreas; Wrodnigg, Tanja M. New α-galactosidase-inhibiting aminohydroxycyclopentanes RSC Advances, 2021, 11, 15943-15951
7242738	CIF	C28 H23 Br N2 O	P -1	8.8147; 9.9723; 14.514 71.84; 74.029; 82.625	1164.21	Aksenov, Nicolai A.; Aksenov, Dmitrii A.; Kurenkov, Igor A.; Aksenov, Alexander V.; Skomorokhov, Anton A.; Prityko, Lidiya A.; Rubin, Michael Preparation of 3,5-diarylsubstituted 5-hydroxy-1,5-dihydro-2H-pyrrol-2-ones via base-assisted cyclization of 3-cyanoketones RSC Advances, 2021, 11, 16236-16245
7242739	CIF	C17 H15 N O3	P 1 21/c 1	10.8934; 6.1836; 20.9171 90; 100.573; 90	1385.06	Aksenov, Nicolai A.; Aksenov, Dmitrii A.; Kurenkov, Igor A.; Aksenov, Alexander V.; Skomorokhov, Anton A.; Prityko, Lidiya A.; Rubin, Michael Preparation of 3,5-diarylsubstituted 5-hydroxy-1,5-dihydro-2H-pyrrol-2-ones via base-assisted cyclization of 3-cyanoketones RSC Advances, 2021, 11, 16236-16245
7242740	CIF	C33 H31 B K N9	P -3	15.2163; 15.2163; 8.191 90; 90; 120	1642.43	Thomas, Jarrod R.; Sulway, Scott A. In situ tracking and characterisation of scorpionate ligands via11B-NMR spectroscopy RSC Advances, 2021, 11, 16158-16160
7242741	CIF	C10 H11 Dy O8	P 1 21/c 1	7.1516; 15.1815; 10.5616 90; 90.44; 90	1146.66	Sen, Rupam; Paul, Sanchayeeta; Sarkar, Alolika; Botas, Alexandre M. P.; Carneiro Neto, Albano N.; Brandão, Paula; Lopes, Armandina M. L.; Ferreira, Rute A. S.; Araújo, João P.; Lin, Zhi A new series of 3D lanthanide phenoxycarboxylates: synthesis, crystal structure, magnetism and photoluminescence studies CrystEngComm, 2021, 23, 4143-4151
7242742	CIF	C10 H11 O8 Tb	P 1 21/c 1	7.1288; 15.1653; 10.5514 90; 90.462; 90	1140.68	Sen, Rupam; Paul, Sanchayeeta; Sarkar, Alolika; Botas, Alexandre M. P.; Carneiro Neto, Albano N.; Brandão, Paula; Lopes, Armandina M. L.; Ferreira, Rute A. S.; Araújo, João P.; Lin, Zhi A new series of 3D lanthanide phenoxycarboxylates: synthesis, crystal structure, magnetism and photoluminescence studies CrystEngComm, 2021, 23, 4143-4151
7242743	CIF	C10 H11 La O8	P 1 21/c 1	7.0577; 15.098; 10.5128 90; 90.412; 90	1120.19	Sen, Rupam; Paul, Sanchayeeta; Sarkar, Alolika; Botas, Alexandre M. P.; Carneiro Neto, Albano N.; Brandão, Paula; Lopes, Armandina M. L.; Ferreira, Rute A. S.; Araújo, João P.; Lin, Zhi A new series of 3D lanthanide phenoxycarboxylates: synthesis, crystal structure, magnetism and photoluminescence studies CrystEngComm, 2021, 23, 4143-4151
7242744	CIF	C32 H40 N16 Ni2 O36 P0 S4 W10	P 1 21/c 1	11.3341; 21.413; 14.0095 90; 108.101; 90	3231.8	Xing, Cuili; Ma, Pengtao; Zhao, Meng; Chang, Jiangnan; Guo, Xiaoyuan; Sun, Lin; Li, Mingxue Facile and green synthesis of decatungstate-based nickel(ii) complex coated onto modified Fe3O4 nanoparticles with enhanced antimicrobial activity against antibiotic-resistant bacteria CrystEngComm, 2021, 23, 3919-3928
7242745	CIF	C21 H18 N2 O6 Zn	P b c a	12.1026; 16.5399; 19.7752 90; 90; 90	3958.5	Wang, San-Tai; Zheng, Xiao; Zhang, Shu-Hua; Li, Guangzhao; Xiao, Yu A study of GUPT-2, a water-stable zinc-based metal‒organic framework as a highly selective and sensitive fluorescent sensor in the detection of Al3+ and Fe3+ ions CrystEngComm, 2021, 23, 4059-4068
7242746	CIF	C47 H41 N3 O2	C 1 c 1	31.5211; 14.7867; 33.4555 90; 112.551; 90	14401.1	Imrie, Corrie T.; Strachan, Grant James; Harrison, William T.; Storey, John M. D. Understanding the remarkable difference in liquid crystal behaviour between secondary and tertiary amides: the synthesis and characterisation of new benzanilide-based liquid crystal dimers. Physical Chemistry Chemical Physics, 2021
7242747	CIF	C51 H49 N3 O2	P 1 n 1	21.61054; 13.8187; 28.98487 90; 110.27; 90	8119.7	Imrie, Corrie T.; Strachan, Grant James; Harrison, William T.; Storey, John M. D. Understanding the remarkable difference in liquid crystal behaviour between secondary and tertiary amides: the synthesis and characterisation of new benzanilide-based liquid crystal dimers. Physical Chemistry Chemical Physics, 2021
7242748	CIF	C14 H18 Cl Co N4 O5	P 1 21/n 1	7.8928; 19.9184; 10.8042 90; 106.081; 90	1632.1	Ruiz, Andrés Castro; Damodaran, Krishna K.; Suman, Sigridur G. Towards a selective synthetic route for cobalt amino acid complexes and their application in ring opening polymerization of rac-lactide RSC Advances, 2021, 11, 16326-16338
7242749	CIF	C14 H16 Co N5 O7	P 21 21 21	10.4922; 10.59; 15.1072 90; 90; 90	1678.6	Ruiz, Andrés Castro; Damodaran, Krishna K.; Suman, Sigridur G. Towards a selective synthetic route for cobalt amino acid complexes and their application in ring opening polymerization of rac-lactide RSC Advances, 2021, 11, 16326-16338
7242750	CIF	C23 H33.5 Cl Co N4.5 O4	C 1 2 1	21.1914; 24.4687; 11.0348 90; 93.193; 90	5712.9	Ruiz, Andrés Castro; Damodaran, Krishna K.; Suman, Sigridur G. Towards a selective synthetic route for cobalt amino acid complexes and their application in ring opening polymerization of rac-lactide RSC Advances, 2021, 11, 16326-16338
7242751	CIF	C28 H56 Cl4 Co3 N8 O20	P -1	8.2215; 10.3798; 14.8086 72.939; 75.785; 89.555	1168.3	Ruiz, Andrés Castro; Damodaran, Krishna K.; Suman, Sigridur G. Towards a selective synthetic route for cobalt amino acid complexes and their application in ring opening polymerization of rac-lactide RSC Advances, 2021, 11, 16326-16338
7242752	CIF	C20 H16 Cl2 Co N4	P 1 21/c 1	8.3937; 14.4906; 15.5726 90; 97.479; 90	1878	Ruiz, Andrés Castro; Damodaran, Krishna K.; Suman, Sigridur G. Towards a selective synthetic route for cobalt amino acid complexes and their application in ring opening polymerization of rac-lactide RSC Advances, 2021, 11, 16326-16338
7242753	CIF	C22 H32 Cl Co N4 O4	P -1	14.3084; 15.7813; 19.9421 71.816; 77.578; 64.57	3846.3	Ruiz, Andrés Castro; Damodaran, Krishna K.; Suman, Sigridur G. Towards a selective synthetic route for cobalt amino acid complexes and their application in ring opening polymerization of rac-lactide RSC Advances, 2021, 11, 16326-16338
7242754	CIF	C14 H16 Co F6 N4 O4 P	P b c a	21.034; 8.2876; 25.1217 90; 90; 90	4379.2	Ruiz, Andrés Castro; Damodaran, Krishna K.; Suman, Sigridur G. Towards a selective synthetic route for cobalt amino acid complexes and their application in ring opening polymerization of rac-lactide RSC Advances, 2021, 11, 16326-16338
7242755	CIF	C37 H43 N7 O18	P 32 2 1	13.033; 13.033; 44.95 90; 90; 120	6612	O'Reilly, Ciaran; Blasco, Salvador; Parekh, Bina; Collins, Helen; Cooke, Gordon; Gunnlaugsson, Thorfinnur; Byrne, Joseph P. Ruthenium-centred btp glycoclusters as inhibitors for Pseudomonas aeruginosa biofilm formation RSC Advances, 2021, 11, 16318-16325
7242756	CIF	C18 H0.25 Cl N2 O5 Zn	P 1 21/c 1	15.5044; 7.5706; 17.2282 90; 110.423; 90	1895.1	Liu, Qing; Liu, Lu; Yu, Cao-Ming; Li, Pei-Xin; Guo, Guo-Cong Two viologen-based photoluminescent compounds: excitation-wavelength-dependent and photoirradiation-time-dependent photoluminescent switches CrystEngComm, 2021, 23, 3856-3860
7242757	CIF	C18 H13 Cd Cl N2 O3.75	P 1 21/c 1	15.4911; 7.5672; 17.2289 90; 110.483; 90	1891.95	Liu, Qing; Liu, Lu; Yu, Cao-Ming; Li, Pei-Xin; Guo, Guo-Cong Two viologen-based photoluminescent compounds: excitation-wavelength-dependent and photoirradiation-time-dependent photoluminescent switches CrystEngComm, 2021, 23, 3856-3860
7242758	CIF	C11 H7 Cd N O5 S	P 1 21/n 1	3.8289; 17.8979; 16.8534 90; 92.005; 90	1154.2	Majee, Prakash; Singha, Debal Kanti; Daga, Pooja; Hui, Sayani; Mahata, Partha; Mondal, Sudip Kumar Photophysical studies of a room temperature phosphorescent Cd(ii) based MOF and its application towards ratiometric detection of Hg2+ ions in water CrystEngComm, 2021, 23, 4160-4168
7242759	CIF	C14 H8 O2	P 1 21/c 1	7.878; 3.9147; 15.6886 90; 102.569; 90	472.24	Rather, Sumair A.; Saha, Binoy K. Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study CrystEngComm, 2021, 23, 5768-5773
7242760	CIF	C14 H8 O2	P 1 21/c 1	7.8729; 3.9195; 15.7126 90; 102.604; 90	473.17	Rather, Sumair A.; Saha, Binoy K. Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study CrystEngComm, 2021, 23, 5768-5773
7242761	CIF	C14 H8 O2	P 1 21/c 1	7.8702; 3.9302; 15.732 90; 102.573; 90	474.94	Rather, Sumair A.; Saha, Binoy K. Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study CrystEngComm, 2021, 23, 5768-5773
7242762	CIF	C14 H8 O2	P 1 21/c 1	7.8864; 3.9488; 15.774 90; 102.624; 90	479.36	Rather, Sumair A.; Saha, Binoy K. Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study CrystEngComm, 2021, 23, 5768-5773
7242763	CIF	C14 H8 O2	P 1 21/c 1	7.8846; 3.9372; 15.754 90; 102.594; 90	477.29	Rather, Sumair A.; Saha, Binoy K. Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study CrystEngComm, 2021, 23, 5768-5773
7242764	CIF	C14 H8 O2	P 1 21/c 1	7.8876; 3.9434; 15.7578 90; 102.624; 90	478.28	Rather, Sumair A.; Saha, Binoy K. Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study CrystEngComm, 2021, 23, 5768-5773
7242765	CIF	C14 H8 O2	P 1 21/c 1	7.8728; 3.9608; 15.7845 90; 102.664; 90	480.23	Rather, Sumair A.; Saha, Binoy K. Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study CrystEngComm, 2021, 23, 5768-5773
7242766	CIF	C14 H8 O2	P 1 21/c 1	7.8662; 3.966; 15.7823 90; 102.696; 90	480.33	Rather, Sumair A.; Saha, Binoy K. Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study CrystEngComm, 2021, 23, 5768-5773
7242767	CIF	C14 H8 O2	P 1 21/c 1	7.8758; 3.9534; 15.7573 90; 102.653; 90	478.71	Rather, Sumair A.; Saha, Binoy K. Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study CrystEngComm, 2021, 23, 5768-5773
7242768	CIF	C14 H8 O2	P 1 21/c 1	7.8868; 3.9718; 15.822 90; 102.719; 90	483.46	Rather, Sumair A.; Saha, Binoy K. Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study CrystEngComm, 2021, 23, 5768-5773
7242769	CIF	C32 H54 O4 Rh2 S2	P b c a	19.7195; 8.9435; 37.5526 90; 90; 90	6622.8	Nakai, Hidetaka; Kajiwara, Yuu; Miyata, Seiya Molecular motion in organometallic crystals: photoinduced 2π/5 rotation of n-hexyltetramethylcyclopentadienyl ligand CrystEngComm, 2021, 23, 3790-3793
7242770	CIF	C32 H54 O4 Rh2 S2	P b c a	19.7647; 8.9121; 38.0935 90; 90; 90	6710	Nakai, Hidetaka; Kajiwara, Yuu; Miyata, Seiya Molecular motion in organometallic crystals: photoinduced 2π/5 rotation of n-hexyltetramethylcyclopentadienyl ligand CrystEngComm, 2021, 23, 3790-3793
7242771	CIF	C17 H12 F2 N2 O	P 21 21 21	3.8711; 11.149; 32.557 90; 90; 90	1405.1	Giri, Prasenjit; Mazumder, Abhrojyoti; Dey, Dibyendu; Garani, Souvik; Raveendran, Anju; Panda, Manas K. Light-fueled rapid macroscopic motion of a green fluorescent organic crystal CrystEngComm, 2021, 23, 5876-5881
7242772	CIF	C22 H26 N4 O6	P 1 21 1	8.34; 25.809; 10.622 90; 94.689; 90	2278.7	Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V. Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state CrystEngComm, 2021, 23, 4312-4319
7242773	CIF	C19 H20 N4 O4	P -1	9.2955; 9.6189; 11.1769 68.975; 70.514; 82.886	879.38	Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V. Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state CrystEngComm, 2021, 23, 4312-4319
7242774	CIF	C19 H22 N4 O3	P -1	9.4667; 9.5371; 10.9139 71.045; 72.014; 82.789	886.04	Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V. Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state CrystEngComm, 2021, 23, 4312-4319
7242775	CIF	C24 H30 N4 O5	P -1	10.8013; 14.882; 16.5499 100.215; 108.537; 109.034	2264.1	Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V. Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state CrystEngComm, 2021, 23, 4312-4319
7242776	CIF	C22 H26 N4 O5	P 21 21 21	10.866; 12.6977; 15.5356 90; 90; 90	2143.5	Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V. Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state CrystEngComm, 2021, 23, 4312-4319
7242777	CIF	C18 H18 N4 O2	P 1 21/c 1	15.1775; 11.3912; 9.0508 90; 99.279; 90	1544.3	Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V. Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state CrystEngComm, 2021, 23, 4312-4319
7242778	CIF	C21 H24 N4 O4	P 1 21/c 1	8.985; 23.1322; 9.9624 90; 109.782; 90	1948.42	Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V. Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state CrystEngComm, 2021, 23, 4312-4319
7242779	CIF	C20 H22 N4 O2	P 1 21/c 1	12.3392; 8.4864; 34.065 90; 99.814; 90	3514.9	Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V. Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state CrystEngComm, 2021, 23, 4312-4319
7242780	CIF	C24 H30 N4 O4	P -1	8.2337; 10.7773; 12.997 98.025; 97.959; 91.457	1129.8	Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V. Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state CrystEngComm, 2021, 23, 4312-4319
7242781	CIF	C21 H26 N4 O3	P 1 21/c 1	12.7245; 9.4309; 17.0038 90; 100.219; 90	2008.15	Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V. Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state CrystEngComm, 2021, 23, 4312-4319
7242782	CIF	C25 H27 N5 O2	P -1	13.2527; 13.5955; 14.5032 112.5; 98.1336; 104.91	2247.1	Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V. Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state CrystEngComm, 2021, 23, 4312-4319
7242783	CIF	C23 H28 N4 O3	P -1	8.0523; 10.7345; 13.0559 97.828; 97.868; 91.711	1106.1	Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V. Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state CrystEngComm, 2021, 23, 4312-4319
7242784	CIF	C24 H28 N4 O3	P 1 21/c 1	10.5144; 13.2689; 15.6124 90; 91.5967; 90	2177.3	Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V. Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state CrystEngComm, 2021, 23, 4312-4319
7242785	CIF	C22 H28 N4 O3	P -1	12.5231; 12.9844; 13.4742 103.876; 96.9424; 97.186	2084.3	Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V. Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state CrystEngComm, 2021, 23, 4312-4319
7242786	CIF	C22 H25 N5 O2	P 1 21/c 1	12.6677; 9.9394; 16.7019 90; 101.334; 90	2061.9	Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V. Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state CrystEngComm, 2021, 23, 4312-4319
7242787	CIF	C22 H26 N4 O4	P 1 21/c 1	14.6755; 17.8903; 16.1564 90; 91.586; 90	4240.2	Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V. Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state CrystEngComm, 2021, 23, 4312-4319
7242788	CIF	C36 H36 N8 O10	C 1 2/c 1	12.8477; 10.4635; 26.812 90; 93.96; 90	3595.8	Liu, Jian-Jun; Xia, Shu-Biao; Liu, Teng; Liu, Jia-Ming; Cheng, Fei-Xiang A two-component molecular hybrid with enhanced emission characteristics and mechanoresponsive luminescence properties CrystEngComm, 2021, 23, 4320-4326
7242789	CIF	C40 H30 N6 O8	P 1 21/c 1	6.428; 10.302; 25.248 90; 89.053; 90	1672	Liu, Jian-Jun; Xia, Shu-Biao; Liu, Teng; Liu, Jia-Ming; Cheng, Fei-Xiang A two-component molecular hybrid with enhanced emission characteristics and mechanoresponsive luminescence properties CrystEngComm, 2021, 23, 4320-4326
7242790	CIF	C74 H154 Mo12 N8 O36	P -1	11.5075; 12.0506; 19.3113 76.208; 84.833; 85.902	2586.7	Al-Yasari, Ahmed; El Moll, Hani; Purdy, Ryan; Vincent, Kevin B.; Spence, Philip; Malval, Jean-Pierre; Fielden, John Optical, Third Order Non-Linear Optical and Electrochemical Properties of Dipolar, Centrosymmetric and C2v Organoimido Polyoxometalate Derivatives Physical Chemistry Chemical Physics, 2021
7242791	CIF	C60 H112 Co14 N24 Na2 O48 S12	P -1	10.6166; 13.9034; 19.5343 94.873; 102.529; 92.85	2797.67	Iman, Khushboo; Ahamad, M. Naqi; Monika,; Ansari, Azaj; Saleh, Hatem A. M.; Khan, M. Shahnawaz; Ahmad, Musheer; Haque, Rosenani A.; Shahid, M. How to identify a smoker: a salient crystallographic approach to detect thiocyanate content RSC Advances, 2021, 11, 16881-16891
7242792	CIF	C76 H128 Co14 N24 O37 S12	P -1	12.3559; 12.4348; 20.8341 82.586; 81.206; 68.792	2939.7	Iman, Khushboo; Ahamad, M. Naqi; Monika,; Ansari, Azaj; Saleh, Hatem A. M.; Khan, M. Shahnawaz; Ahmad, Musheer; Haque, Rosenani A.; Shahid, M. How to identify a smoker: a salient crystallographic approach to detect thiocyanate content RSC Advances, 2021, 11, 16881-16891
7242793	CIF	C29 H48 Co7 N10 O20 S5	P 1 21/n 1	10.4453; 22.5325; 22.4558 90; 91.003; 90	5284.4	Iman, Khushboo; Ahamad, M. Naqi; Monika,; Ansari, Azaj; Saleh, Hatem A. M.; Khan, M. Shahnawaz; Ahmad, Musheer; Haque, Rosenani A.; Shahid, M. How to identify a smoker: a salient crystallographic approach to detect thiocyanate content RSC Advances, 2021, 11, 16881-16891
7242794	CIF	C44 H29 N4 O4 Zn	P 1 2/c 1	14.366; 24.779; 11.2288 90; 90.011; 90	3997.2	Ni, Jian-Ling; Liang, Yu; Shao, Juan-Juan; Li, Jun-Feng; Zhou, Ze-Yu; Wang, Fang-Ming; Chen, Li-Zhuang Selective fluorescent sensing of LMOFs constructed from tri(4-pyridylphenyl)amine ligand RSC Advances, 2021, 11, 16989-16995
7242795	CIF	C47 H32 Cd N4 O5	P 1 21/c 1	11.885; 32.905; 10.927 90; 98.71; 90	4224	Ni, Jian-Ling; Liang, Yu; Shao, Juan-Juan; Li, Jun-Feng; Zhou, Ze-Yu; Wang, Fang-Ming; Chen, Li-Zhuang Selective fluorescent sensing of LMOFs constructed from tri(4-pyridylphenyl)amine ligand RSC Advances, 2021, 11, 16989-16995
7242796	CIF	C61 H40 N4 O8 Zn2	P 1 21/c 1	8.04; 27.239; 25.707 90; 97.818; 90	5578	Ni, Jian-Ling; Liang, Yu; Shao, Juan-Juan; Li, Jun-Feng; Zhou, Ze-Yu; Wang, Fang-Ming; Chen, Li-Zhuang Selective fluorescent sensing of LMOFs constructed from tri(4-pyridylphenyl)amine ligand RSC Advances, 2021, 11, 16989-16995
7242797	CIF	C33 H22 N2 O2	P 1 21/c 1	24.8541; 6.7596; 15.6816 90; 104.869; 90	2546.35	Kondo, Mizuho; Morita, Yuya; Nishida, Jun-ichi; Kawase, Takeshi; Kawatsuki, Nobuhiro Mechano-induced photoluminescence colour change in an alkyltolane-terminated cyanostilbene CrystEngComm, 2021, 23, 5869-5875
7242798	CIF	C10 H16.22 Cl N5 O2.11	C 1 2/c 1	18.892; 6.2547; 24.173 90; 104.589; 90	2764.3	da Silva, Amandha Kaiser; Diniz, Luan F.; Tenorio, Juan C.; Nazário, Carlos E. D.; Ribeiro, Caue; Carvalho Jr, Paulo S. Driving a sustainable application of s-triazine ametryn and atrazine herbicides through multicomponent crystals with improved solubility CrystEngComm, 2021, 23, 4252-4263
7242799	CIF	C9 H18 N6 O3 S	P -1	9.1659; 9.5067; 9.6825 77.541; 72.346; 67.479	737.89	da Silva, Amandha Kaiser; Diniz, Luan F.; Tenorio, Juan C.; Nazário, Carlos E. D.; Ribeiro, Caue; Carvalho Jr, Paulo S. Driving a sustainable application of s-triazine ametryn and atrazine herbicides through multicomponent crystals with improved solubility CrystEngComm, 2021, 23, 4252-4263
7242800	CIF	C11 H18 F3 N5 O2 S	P 1 21/c 1	8.2238; 10.1689; 19.8066 90; 99.017; 90	1635.9	da Silva, Amandha Kaiser; Diniz, Luan F.; Tenorio, Juan C.; Nazário, Carlos E. D.; Ribeiro, Caue; Carvalho Jr, Paulo S. Driving a sustainable application of s-triazine ametryn and atrazine herbicides through multicomponent crystals with improved solubility CrystEngComm, 2021, 23, 4252-4263
7242801	CIF	C10 H16 Cl N5 O2	C 1 2/c 1	18.922; 6.297; 24.311 90; 104.748; 90	2801	da Silva, Amandha Kaiser; Diniz, Luan F.; Tenorio, Juan C.; Nazário, Carlos E. D.; Ribeiro, Caue; Carvalho Jr, Paulo S. Driving a sustainable application of s-triazine ametryn and atrazine herbicides through multicomponent crystals with improved solubility CrystEngComm, 2021, 23, 4252-4263
7242802	CIF	C44 H66 Mn N14 O22 P2	P 21 21 2	13.9445; 19.9094; 10.1085 90; 90; 90	2806.4	Iqbal, Muhammad Javed; Li, Zhongkui; Khan, Maroof Ahmad; Zhu, Yanhong; Hussain, Wajid; Su, Hao; Qiu, Qi-Ming; Shoukat, Rizwan; Li, Hui Studies on the structure and chirality of A-motif in adenosine monophosphate nucleotide metal coordination complexes CrystEngComm, 2021, 23, 4175-4180
7242803	CIF	C22 H42 Cd N7 O17 P	P 1	6.8541; 10.2632; 14.0271 111.04; 93.282; 92.104	917.7	Iqbal, Muhammad Javed; Li, Zhongkui; Khan, Maroof Ahmad; Zhu, Yanhong; Hussain, Wajid; Su, Hao; Qiu, Qi-Ming; Shoukat, Rizwan; Li, Hui Studies on the structure and chirality of A-motif in adenosine monophosphate nucleotide metal coordination complexes CrystEngComm, 2021, 23, 4175-4180
7242804	CIF	C45 H62 Cd N14 O19 P2	P 21 21 2	13.9986; 19.9756; 10.1006 90; 90; 90	2824.44	Iqbal, Muhammad Javed; Li, Zhongkui; Khan, Maroof Ahmad; Zhu, Yanhong; Hussain, Wajid; Su, Hao; Qiu, Qi-Ming; Shoukat, Rizwan; Li, Hui Studies on the structure and chirality of A-motif in adenosine monophosphate nucleotide metal coordination complexes CrystEngComm, 2021, 23, 4175-4180
7242805	CIF	C40 H34 Cl8 N4 O6	P -1	8.083; 9.0956; 15.0054 82.8035; 80.0928; 71.2636	1026.25	Drozd, Ksenia V.; Manin, Alex N.; Voronin, Alexander P.; Boycov, Denis; Andrei, Churakov; Perlovich, German L. A combined experimental and theoretical study of miconazole salts and cocrystals: crystal structures, DFT computations, formation thermodynamics and solubility improvement Physical Chemistry Chemical Physics, 2021
7242806	CIF	C22 H18 Cl4 N2 O5	P -1	8.8026; 8.8626; 29.7363 83.6323; 85.5987; 89.666	2298.73	Drozd, Ksenia V.; Manin, Alex N.; Voronin, Alexander P.; Boycov, Denis; Andrei, Churakov; Perlovich, German L. A combined experimental and theoretical study of miconazole salts and cocrystals: crystal structures, DFT computations, formation thermodynamics and solubility improvement Physical Chemistry Chemical Physics, 2021
7242807	CIF	C40 H32 Cl8 N4 O6	P -1	8.1544; 8.9059; 14.8899 81.5113; 81.5921; 70.0821	1000.15	Drozd, Ksenia V.; Manin, Alex N.; Voronin, Alexander P.; Boycov, Denis; Andrei, Churakov; Perlovich, German L. A combined experimental and theoretical study of miconazole salts and cocrystals: crystal structures, DFT computations, formation thermodynamics and solubility improvement Physical Chemistry Chemical Physics, 2021
7242808	CIF	C42 H38 Cl8 N4 O6	P -1	12.6233; 13.3497; 16.0081 103.462; 100.435; 113.091	2298.7	Drozd, Ksenia V.; Manin, Alex N.; Voronin, Alexander P.; Boycov, Denis; Andrei, Churakov; Perlovich, German L. A combined experimental and theoretical study of miconazole salts and cocrystals: crystal structures, DFT computations, formation thermodynamics and solubility improvement Physical Chemistry Chemical Physics, 2021
7242809	CIF	C18 H15 Cl4 N2 O1.5	P 1 21/n 1	7.9812; 32.6965; 14.5964 90; 91.2751; 90	3808.1	Drozd, Ksenia V.; Manin, Alex N.; Voronin, Alexander P.; Boycov, Denis; Andrei, Churakov; Perlovich, German L. A combined experimental and theoretical study of miconazole salts and cocrystals: crystal structures, DFT computations, formation thermodynamics and solubility improvement Physical Chemistry Chemical Physics, 2021
7242810	CIF	C42 H38 Co N4 O12	P -1	9.5008; 10.3315; 11.4636 86.225; 76.084; 67.841	1011.15	Lu, Xue; Zhao, Ying; Wang, Xiu-Li; Liu, Guo-Cheng; Xu, Na; Lin, Hong-Yan; Wang, Xiang Six CoII coordination polymers exhibiting UV-light-driven photocatalysis for the degradation of organic dyes CrystEngComm, 2021, 23, 3828-3837
7242811	CIF	C20 H22 Co N2 O6	P -1	8.618; 9.1037; 13.5328 79.294; 72.69; 74.067	968.4	Lu, Xue; Zhao, Ying; Wang, Xiu-Li; Liu, Guo-Cheng; Xu, Na; Lin, Hong-Yan; Wang, Xiang Six CoII coordination polymers exhibiting UV-light-driven photocatalysis for the degradation of organic dyes CrystEngComm, 2021, 23, 3828-3837
7242812	CIF	C29 H23 Co N4 O7	C 1 2/c 1	28.979; 10.115; 17.028 90; 95.201; 90	4971	Lu, Xue; Zhao, Ying; Wang, Xiu-Li; Liu, Guo-Cheng; Xu, Na; Lin, Hong-Yan; Wang, Xiang Six CoII coordination polymers exhibiting UV-light-driven photocatalysis for the degradation of organic dyes CrystEngComm, 2021, 23, 3828-3837
7242813	CIF	C40 H34 Co2 N6 O13	P 1 21/c 1	15.6969; 7.7903; 31.0089 90; 94.603; 90	3779.6	Lu, Xue; Zhao, Ying; Wang, Xiu-Li; Liu, Guo-Cheng; Xu, Na; Lin, Hong-Yan; Wang, Xiang Six CoII coordination polymers exhibiting UV-light-driven photocatalysis for the degradation of organic dyes CrystEngComm, 2021, 23, 3828-3837
7242814	CIF	C36 H30 Co N4 O8	P -1	8.641; 14.144; 17.121 82.368; 76.967; 73.737	1951.6	Lu, Xue; Zhao, Ying; Wang, Xiu-Li; Liu, Guo-Cheng; Xu, Na; Lin, Hong-Yan; Wang, Xiang Six CoII coordination polymers exhibiting UV-light-driven photocatalysis for the degradation of organic dyes CrystEngComm, 2021, 23, 3828-3837
7242815	CIF	C64 H52 Co2 N10 O19	P -1	12.9385; 15.954; 16.193 113.997; 101.122; 92.4	2969.2	Lu, Xue; Zhao, Ying; Wang, Xiu-Li; Liu, Guo-Cheng; Xu, Na; Lin, Hong-Yan; Wang, Xiang Six CoII coordination polymers exhibiting UV-light-driven photocatalysis for the degradation of organic dyes CrystEngComm, 2021, 23, 3828-3837
7242816	CIF	C23 H21 Br N2 O2 S	P 1 21/n 1	12.3545; 11.999; 14.3274 90; 94.051; 90	2118.61	He, Han; Xu, Ning; Zhang, Honglin; Chen, Bin; Hu, Zhengnan; Guo, Kang; Chun, Jianlin; Cao, Shujun; Zhu, Yingguang Brønsted acid-promoted hydroamination of unsaturated hydrazones: access to biologically important 5-arylpyrazolines RSC Advances, 2021, 11, 17340-17345
7242817	CIF	C16 H18 N3 Na O5 S	P 21 21 21	10.6221; 13.075; 13.3414 90; 90; 90	1852.9	Cui, Pingping; Yin, Qiuxiang; Zhang, Shihao; Yang, Wenchao; Jia, Lihong; Dai, Jiayu; Zhou, Ling; Wang, Zhao Insight into amoxicillin sodium heterosolvates and non-solvated form: crystal structures, phase transformation behaviors, and desolvation mechanism CrystEngComm, 2021, 23, 3995-4004
7242818	CIF	C20 H28 N3 Na O8 S	P 21 21 21	9.9361; 15.3223; 15.6894 90; 90; 90	2388.6	Cui, Pingping; Yin, Qiuxiang; Zhang, Shihao; Yang, Wenchao; Jia, Lihong; Dai, Jiayu; Zhou, Ling; Wang, Zhao Insight into amoxicillin sodium heterosolvates and non-solvated form: crystal structures, phase transformation behaviors, and desolvation mechanism CrystEngComm, 2021, 23, 3995-4004
7242819	CIF	C27 H34 N6 O8 P	P 1 21 1	10.51; 12.83; 11.14 90; 100.2; 90	1478	Sekharan, Sivakumar; Liu, Xuetao; Yang, Zhuocen; Liu, Xiang; Deng, Li; Ruan, Shigang; Abramov, Yuriy; Sun, GuangXu; Li, Sizhu; Zhou, Tian; Shi, Baime; Zeng, Qun; Zeng, Qiao; Chang, Chao; Jin, Yingdi; Shi, Xuekun Selecting a stable solid form of remdesivir using microcrystal electron diffraction and crystal structure prediction RSC Advances, 2021, 11, 17408-17412
7242820	CIF	C27 H35 N6 O8 P	P 1 21 1	10.35; 12.5; 11.52 90; 103.7; 90	1448	Sekharan, Sivakumar; Liu, Xuetao; Yang, Zhuocen; Liu, Xiang; Deng, Li; Ruan, Shigang; Abramov, Yuriy; Sun, GuangXu; Li, Sizhu; Zhou, Tian; Shi, Baime; Zeng, Qun; Zeng, Qiao; Chang, Chao; Jin, Yingdi; Shi, Xuekun Selecting a stable solid form of remdesivir using microcrystal electron diffraction and crystal structure prediction RSC Advances, 2021, 11, 17408-17412
7242821	CIF	C27 H35 N6 O8 P	P 1 21 1	10.03; 12.2; 11.44 90; 104.4; 90	1356	Sekharan, Sivakumar; Liu, Xuetao; Yang, Zhuocen; Liu, Xiang; Deng, Li; Ruan, Shigang; Abramov, Yuriy; Sun, GuangXu; Li, Sizhu; Zhou, Tian; Shi, Baime; Zeng, Qun; Zeng, Qiao; Chang, Chao; Jin, Yingdi; Shi, Xuekun Selecting a stable solid form of remdesivir using microcrystal electron diffraction and crystal structure prediction RSC Advances, 2021, 11, 17408-17412
7242822	CIF	C27 H34 N6 O8 P	P 1 21 1	10.21; 12.49; 10.85 90; 100.9; 90	1359	Sekharan, Sivakumar; Liu, Xuetao; Yang, Zhuocen; Liu, Xiang; Deng, Li; Ruan, Shigang; Abramov, Yuriy; Sun, GuangXu; Li, Sizhu; Zhou, Tian; Shi, Baime; Zeng, Qun; Zeng, Qiao; Chang, Chao; Jin, Yingdi; Shi, Xuekun Selecting a stable solid form of remdesivir using microcrystal electron diffraction and crystal structure prediction RSC Advances, 2021, 11, 17408-17412
7242823	CIF	C34 H18 O8 Th	P 1 2/n 1	5.64; 11.024; 28.315 90; 92.102; 90	1759.3	Yu, Ting; Qian, Zheng-hua; Li, Lin; Wu, Xiao-ling; He, Hui; Qiao, Yan-bo; Ye, Guo-an Synthesis of luminescent thorium-based metal‒organic frameworks with 1,2,4,5-tetrakis(4-carboxyphenyl)benzene RSC Advances, 2021, 11, 17431-17436
7242824	CIF	C37 H27 N O10 Th	P 1 21/n 1	12.077; 31.421; 14.83 90; 112.117; 90	5213.5	Yu, Ting; Qian, Zheng-hua; Li, Lin; Wu, Xiao-ling; He, Hui; Qiao, Yan-bo; Ye, Guo-an Synthesis of luminescent thorium-based metal‒organic frameworks with 1,2,4,5-tetrakis(4-carboxyphenyl)benzene RSC Advances, 2021, 11, 17431-17436
7242825	CIF	C34 H18 O15 Th2	C m c e	33.443; 16.4404; 20.0127 90; 90; 90	11003.3	Yu, Ting; Qian, Zheng-hua; Li, Lin; Wu, Xiao-ling; He, Hui; Qiao, Yan-bo; Ye, Guo-an Synthesis of luminescent thorium-based metal‒organic frameworks with 1,2,4,5-tetrakis(4-carboxyphenyl)benzene RSC Advances, 2021, 11, 17431-17436
7242826	CIF	C22 H114 Cl7 Cr2 Dy5 O90	P b c n	19.3983; 23.5501; 18.7638 90; 90; 90	8571.9	Yin, Jia-Jia; Lu, Tian-Qi; Chen, Cheng; Shi, Hai-Yan; Zhuang, Gui-Lin; Zheng, Jun; Fang, Xiaolong; Zheng, Xiu-Ying A new family of decanuclear Ln7Cr3 clusters exhibiting a magnetocaloric effect RSC Advances, 2021, 11, 17346-17351
7242827	CIF	C22 H138 Cl7 Cr2 Gd5 O102	P b c n	19.483; 23.488; 18.895 90; 90; 90	8646.67	Yin, Jia-Jia; Lu, Tian-Qi; Chen, Cheng; Shi, Hai-Yan; Zhuang, Gui-Lin; Zheng, Jun; Fang, Xiaolong; Zheng, Xiu-Ying A new family of decanuclear Ln7Cr3 clusters exhibiting a magnetocaloric effect RSC Advances, 2021, 11, 17346-17351
7242828	CIF	C24 H16 F4 I2 N2	P -1	6.899; 9.0065; 10.5354 67.043; 74.813; 69.918	559.89	Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes CrystEngComm, 2021, 23, 4247-4251
7242829	CIF	C44 H28 F10 I2 N2	P -1	7.6854; 9.3757; 14.3001 78.9336; 76.5682; 76.3666	963.67	Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes CrystEngComm, 2021, 23, 4247-4251
7242830	CIF	C30 H16 F10 I2 N2	P 1 21/c 1	4.0202; 27.092; 13.0226 90; 93.8344; 90	1415.18	Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes CrystEngComm, 2021, 23, 4247-4251
7242831	CIF	C24 H16 F3 I3 N2	P b c a	7.42; 17.8302; 35.8919 90; 90; 90	4748.5	Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes CrystEngComm, 2021, 23, 4247-4251
7242832	CIF	C24 H16 F3 I3 N2	P b c n	5.511; 18.5899; 23.7423 90; 90; 90	2432.4	Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes CrystEngComm, 2021, 23, 4247-4251
7242833	CIF	C44 H28 F6 I6 N2	P 1 21/c 1	7.782; 33.4952; 9.1815 90; 114.99; 90	2169.2	Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes CrystEngComm, 2021, 23, 4247-4251
7242834	CIF	C28 H16 F4 I2 N4	P 1 21/n 1	12.3957; 17.8774; 13.0708 90; 115.915; 90	2605.26	Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes CrystEngComm, 2021, 23, 4247-4251
7242835	CIF	C16 H18 N3 Na O5 S	P 21 21 21	10.6221; 13.075; 13.3414 90; 90; 90	1852.9	Peng, Shuang; Qi, Yan-Jie; Li, Xin-Hao; Sun, Cai; Li, Ling-Yun; Li, Xin-Xiong; Zheng, Shou-Tian; Zhang, Qichun Two isomeric zeolite-like metal‒organic frameworks with mechanically responsive luminescence emission and gas adsorption properties CrystEngComm, 2021, 23, 5753-5757
7242836	CIF	C20 H28 N3 Na O8 S	P 21 21 21	9.9361; 15.3223; 15.6894 90; 90; 90	2388.6	Peng, Shuang; Qi, Yan-Jie; Li, Xin-Hao; Sun, Cai; Li, Ling-Yun; Li, Xin-Xiong; Zheng, Shou-Tian; Zhang, Qichun Two isomeric zeolite-like metal‒organic frameworks with mechanically responsive luminescence emission and gas adsorption properties CrystEngComm, 2021, 23, 5753-5757
7242837	CIF	C16 H16 F2 N2	P 1 21/n 1	16.4415; 11.6143; 16.8425 90; 118.923; 90	2815.03	Zamisa, Sizwe J.; Bongoza, Unathi; Omondi, Bernard Predicting molecular isomerism of symmetrical and unsymmetrical N,N′-diphenyl formamidines in the solid-state: crystal structure, Hirshfeld surface analysis, pairwise interaction energy, and ΔHfusion and ΔSfusion correlations CrystEngComm, 2021, 23, 4459-4474
7242838	CIF	C15 H14 Cl2 N2	C 1 c 1	10.6079; 42.6839; 8.2782 90; 128.984; 90	2913.6	Zamisa, Sizwe J.; Bongoza, Unathi; Omondi, Bernard Predicting molecular isomerism of symmetrical and unsymmetrical N,N′-diphenyl formamidines in the solid-state: crystal structure, Hirshfeld surface analysis, pairwise interaction energy, and ΔHfusion and ΔSfusion correlations CrystEngComm, 2021, 23, 4459-4474
7242839	CIF	C19 H22 Cl2 N2	P -1	9.8974; 9.9742; 11.0128 75.198; 77.861; 63.236	932.76	Zamisa, Sizwe J.; Bongoza, Unathi; Omondi, Bernard Predicting molecular isomerism of symmetrical and unsymmetrical N,N′-diphenyl formamidines in the solid-state: crystal structure, Hirshfeld surface analysis, pairwise interaction energy, and ΔHfusion and ΔSfusion correlations CrystEngComm, 2021, 23, 4459-4474
7242840	CIF	C13 H8 Cl4 N2	P 1 21/c 1	16.0655; 8.3654; 20.616 90; 93.309; 90	2766.1	Zamisa, Sizwe J.; Bongoza, Unathi; Omondi, Bernard Predicting molecular isomerism of symmetrical and unsymmetrical N,N′-diphenyl formamidines in the solid-state: crystal structure, Hirshfeld surface analysis, pairwise interaction energy, and ΔHfusion and ΔSfusion correlations CrystEngComm, 2021, 23, 4459-4474
7242841	CIF	C16 H16 Cl2 N2	P 21 21 21	8.3329; 8.5627; 21.7172 90; 90; 90	1549.57	Zamisa, Sizwe J.; Bongoza, Unathi; Omondi, Bernard Predicting molecular isomerism of symmetrical and unsymmetrical N,N′-diphenyl formamidines in the solid-state: crystal structure, Hirshfeld surface analysis, pairwise interaction energy, and ΔHfusion and ΔSfusion correlations CrystEngComm, 2021, 23, 4459-4474
7242842	CIF	C42 H24 N2 O15 Zn4	P 1 21/c 1	24.677; 21.78; 25.025 90; 109.5; 90	12679	Xie, Wei; Jiang, Wei; Xu, Guang-Juan; Zhang, Shu-Ran; Xu, Yan-Hong; Su, Zhong-Min A luminescent metal‒organic framework with tetragonal nanochannels as an efficient chemosensor for nitroaromatic explosives detection CrystEngComm, 2021, 23, 3901-3906
7242843	CIF	C5 H11 Br5 N3 O Sb	P 1 21/c 1	11.296; 8.333; 16.662 90; 108.1; 90	1490.8	Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii) RSC Advances, 2021, 11, 17574-17586
7242844	CIF	C8 H10 Bi Br5 N4 S2	P 1 21/n 1	5.752; 15.263; 10.633 90; 104.77; 90	902.7	Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii) RSC Advances, 2021, 11, 17574-17586
7242845	CIF	C8 H10 Cl5 N4 S2 Sb	P 1 21/n 1	5.54; 14.91; 10.21 90; 104.08; 90	818	Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii) RSC Advances, 2021, 11, 17574-17586
7242846	CIF	C10 H18 Cl5 N6 O Sb	P 1 21/m 1	5.626; 18.512; 8.957 90; 91.09; 90	932.7	Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii) RSC Advances, 2021, 11, 17574-17586
7242847	CIF	C20 H32 Bi2 Br10 N12	P -1	9.775; 9.808; 11.435 76.78; 65.46; 82.72	970.2	Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii) RSC Advances, 2021, 11, 17574-17586
7242848	CIF	C16 H28 Bi2 Cl10 N12 O2	C 1 2/c 1	19.226; 13.018; 14.193 90; 100.74; 90	3490.1	Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii) RSC Advances, 2021, 11, 17574-17586
7242849	CIF	C10 H18 Bi Cl5 N6 O	P 1 21/m 1	5.586; 18.595; 8.97 90; 90.66; 90	931.7	Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii) RSC Advances, 2021, 11, 17574-17586
7242850	CIF	C8 H12 Cl5 N6 Sb	P 1 21 1	5.713; 14.125; 10.254 90; 105.65; 90	796.8	Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii) RSC Advances, 2021, 11, 17574-17586
7242851	CIF	C8 H10 Bi Cl5 N4 S2	P 1 21/n 1	5.5; 15.082; 10.36 90; 104.39; 90	832.4	Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii) RSC Advances, 2021, 11, 17574-17586
7242852	CIF	C8 H12 Br5 N6 Sb	P 1 21 1	5.946; 14.401; 10.621 90; 105.31; 90	877.2	Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii) RSC Advances, 2021, 11, 17574-17586
7242853	CIF	C8 H12 Bi Br5 N6	P -1	7.8733; 11.4038; 11.618 115.801; 96.295; 98.857	909.46	Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii) RSC Advances, 2021, 11, 17574-17586
7242854	CIF	C21 H20 Br N O3 S	P 21 21 21	5.9222; 13.176; 26.122 90; 90; 90	2038.3	Zhou, Yanan; Ma, Hongzhi; Yang, Zhongxing; Wu, Chengjun; Sun, Tiemin A systematic investigation on the impact of the level of oxidation at sulfur and the configuration of R/S-sulfoxide on the solid structure CrystEngComm, 2021, 23, 4181-4193
7242855	CIF	C21 H20 Br N O5 S	P 21 21 21	7.8376; 10.864; 24.59 90; 90; 90	2093.8	Zhou, Yanan; Ma, Hongzhi; Yang, Zhongxing; Wu, Chengjun; Sun, Tiemin A systematic investigation on the impact of the level of oxidation at sulfur and the configuration of R/S-sulfoxide on the solid structure CrystEngComm, 2021, 23, 4181-4193
7242856	CIF	C21 H20 Br N O4 S	P 1 21 1	6.4439; 7.6636; 20.6198 90; 95.354; 90	1013.83	Zhou, Yanan; Ma, Hongzhi; Yang, Zhongxing; Wu, Chengjun; Sun, Tiemin A systematic investigation on the impact of the level of oxidation at sulfur and the configuration of R/S-sulfoxide on the solid structure CrystEngComm, 2021, 23, 4181-4193
7242857	CIF	C21 H20 Br N O4 S	P 41	11.0865; 11.0865; 16.544 90; 90; 90	2033.4	Zhou, Yanan; Ma, Hongzhi; Yang, Zhongxing; Wu, Chengjun; Sun, Tiemin A systematic investigation on the impact of the level of oxidation at sulfur and the configuration of R/S-sulfoxide on the solid structure CrystEngComm, 2021, 23, 4181-4193
7242858	CIF	C24 H17 F Fe N3 O6	P -1	8.1982; 11.5358; 12.9597 103.868; 103.308; 107.779	1070.33	Díaz-Torres, Raúl; Echeverría, Jorge; Loveday, Oliver; Harding, Phimphaka; Harding, David J. Interplay of halogen and hydrogen bonding in a series of heteroleptic iron(iii) complexes CrystEngComm, 2021, 23, 4069-4076
7242859	CIF	C24 H17 Fe I N3 O6	P 1 21/n 1	12.1991; 9.3756; 19.0747 90; 95.6028; 90	2171.22	Díaz-Torres, Raúl; Echeverría, Jorge; Loveday, Oliver; Harding, Phimphaka; Harding, David J. Interplay of halogen and hydrogen bonding in a series of heteroleptic iron(iii) complexes CrystEngComm, 2021, 23, 4069-4076
7242860	CIF	C24 H17 Cl Fe N3 O6	P -1	8.2215; 11.9651; 12.8982 105.94; 105.557; 104.264	1102.95	Díaz-Torres, Raúl; Echeverría, Jorge; Loveday, Oliver; Harding, Phimphaka; Harding, David J. Interplay of halogen and hydrogen bonding in a series of heteroleptic iron(iii) complexes CrystEngComm, 2021, 23, 4069-4076
7242861	CIF	C24 H17 Br Fe N3 O6	P 1 21/n 1	12.2056; 9.3067; 18.8067 90; 94.801; 90	2128.83	Díaz-Torres, Raúl; Echeverría, Jorge; Loveday, Oliver; Harding, Phimphaka; Harding, David J. Interplay of halogen and hydrogen bonding in a series of heteroleptic iron(iii) complexes CrystEngComm, 2021, 23, 4069-4076
7242862	CIF	C115 H73 Cl7 Co14 N40 O18 S12	P 21 21 21	22.6762; 24.9574; 32.1099 90; 90; 90	18172.2	Yu, Yanan; Wang, Zhao; Li, Ziping; Hang, Xinxin; Bi, Yanfeng Assembly of {Co14} nanoclusters from adenine-modified Co4-thiacalix[4]arene units CrystEngComm, 2021, 23, 4382-4388
7242863	CIF	C41 H36 Cl Co4 N11 O10 S4	P b c a	19.899; 18.907; 25.949 90; 90; 90	9763	Yu, Yanan; Wang, Zhao; Li, Ziping; Hang, Xinxin; Bi, Yanfeng Assembly of {Co14} nanoclusters from adenine-modified Co4-thiacalix[4]arene units CrystEngComm, 2021, 23, 4382-4388
7242864	CIF	C108 H66 Cl4 Co14 N30 O25 S12	P -6 2 c	25.8926; 25.8926; 18.9542 90; 90; 120	11004.9	Yu, Yanan; Wang, Zhao; Li, Ziping; Hang, Xinxin; Bi, Yanfeng Assembly of {Co14} nanoclusters from adenine-modified Co4-thiacalix[4]arene units CrystEngComm, 2021, 23, 4382-4388
7242865	CIF	C116 H88 Co14 N30 O31 S12	P -1	15.8696; 18.177; 33.267 96.052; 95.278; 108.469	8970.9	Yu, Yanan; Wang, Zhao; Li, Ziping; Hang, Xinxin; Bi, Yanfeng Assembly of {Co14} nanoclusters from adenine-modified Co4-thiacalix[4]arene units CrystEngComm, 2021, 23, 4382-4388
7242866	CIF	C32 H36 Ca3 O24	C 1 2/c 1	23.4643; 11.4906; 16.2903 90; 122.775; 90	3692.95	Pan, Yanxiong; Li, Hui; Lenertz, Mary; Han, Yulun; Ugrinov, Angel; Kilin, Dmitri; Chen, Bingcan; Yang, Zhongyu One-pot synthesis of enzyme@metal‒organic material (MOM) biocomposites for enzyme biocatalysis Green Chemistry, 2021, 23, 4466-4476
7242867	CIF	C22 H19 N3 O2 S	P 1 21/c 1	20.8714; 5.6704; 17.1989 90; 114.207; 90	1856.49	Thushara, Nadini; Darshani, Taniya; Samarakoon, Sameera R.; Perera, Inoka C.; Fronczek, Frank R.; Sameera, W. M. C.; Perera, Theshini Synthesis, characterization and biological evaluation of dipicolylamine sulfonamide derivatized platinum complexes as potential anticancer agents RSC Advances, 2021, 11, 17658-17668
7242868	CIF	C22 H19 Cl2 N3 O2 Pt S	C 1 2/c 1	26.7076; 8.7572; 18.7201 90; 91.356; 90	4377.1	Thushara, Nadini; Darshani, Taniya; Samarakoon, Sameera R.; Perera, Inoka C.; Fronczek, Frank R.; Sameera, W. M. C.; Perera, Theshini Synthesis, characterization and biological evaluation of dipicolylamine sulfonamide derivatized platinum complexes as potential anticancer agents RSC Advances, 2021, 11, 17658-17668
7242869	CIF	C22 H19 Cl2 N3 O2 Pt S	C 1 2/c 1	25.9376; 9.6371; 17.6498 90; 97.188; 90	4377.1	Thushara, Nadini; Darshani, Taniya; Samarakoon, Sameera R.; Perera, Inoka C.; Fronczek, Frank R.; Sameera, W. M. C.; Perera, Theshini Synthesis, characterization and biological evaluation of dipicolylamine sulfonamide derivatized platinum complexes as potential anticancer agents RSC Advances, 2021, 11, 17658-17668
7242870	CIF	C17 H22 Cl2 N4 O2 Pt S	I 1 2/a 1	17.5316; 9.5135; 24.202 90; 91.872; 90	4034.4	Thushara, Nadini; Darshani, Taniya; Samarakoon, Sameera R.; Perera, Inoka C.; Fronczek, Frank R.; Sameera, W. M. C.; Perera, Theshini Synthesis, characterization and biological evaluation of dipicolylamine sulfonamide derivatized platinum complexes as potential anticancer agents RSC Advances, 2021, 11, 17658-17668
7242871	CIF	C4 H5 N5 O4	C m c e	7.7002; 14.3978; 12.7602 90; 90; 90	1414.7	Wozniak, Dominique R.; Zeller, Matthias; Byrd, Edward F. C.; Piercey, Davin G. 3-Methyl-1,2,3-triazolium-1N-dinitromethylylide and the strategy of zwitterionic dinitromethyl groups in energetic materials design RSC Advances, 2021, 11, 17710-17714
7242872	CIF	C28 H31 N4 O S	P 1 21/n 1	13.815; 10.555; 17.808 90; 111.233; 90	2420.4	Pal, Kavita; Raza, Md Kausar; Legac, Jenny; Ataur Rahman, Md.; Manzoor, Shoaib; Rosenthal, Philip J.; Hoda, Nasimul Design, synthesis, crystal structure and anti-plasmodial evaluation of tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine derivatives RSC Medicinal Chemistry, 2021
7242873	CIF	C31 H37 N4 O2 S	P -1	10.221; 13.97; 21.807 79.88; 76.458; 68.561	2804	Pal, Kavita; Raza, Md Kausar; Legac, Jenny; Ataur Rahman, Md.; Manzoor, Shoaib; Rosenthal, Philip J.; Hoda, Nasimul Design, synthesis, crystal structure and anti-plasmodial evaluation of tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine derivatives RSC Medicinal Chemistry, 2021
7242874	CIF	C2 N3 S3	P 1 21/c 1	9.4388; 3.71; 15.0549 90; 104.552; 90	510.279	Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A. Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA CrystEngComm, 2021, 23, 4444-4450
7242875	CIF	C2 N3 S3	P 1 21/c 1	9.28; 3.3957; 14.64 90; 104.34; 90	447	Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A. Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA CrystEngComm, 2021, 23, 4444-4450
7242876	CIF	C2 N3 S3	P 1 21/c 1	9.191; 3.3508; 14.562 90; 104.44; 90	434.3	Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A. Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA CrystEngComm, 2021, 23, 4444-4450
7242877	CIF	C2 N3 S3	P 1 21/c 1	9.327; 3.462; 14.734 90; 104.37; 90	460.9	Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A. Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA CrystEngComm, 2021, 23, 4444-4450
7242878	CIF	C2 N3 S3	P 1 21/c 1	9.348; 3.5161; 14.834 90; 104.56; 90	471.9	Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A. Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA CrystEngComm, 2021, 23, 4444-4450
7242879	CIF	C2 N3 S3	P 1 21/c 1	9.409; 3.6033; 14.945 90; 104.55; 90	490.4	Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A. Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA CrystEngComm, 2021, 23, 4444-4450
7242880	CIF	C2 N3 S3	P 1 21/c 1	9.084; 3.3013; 14.495 90; 104.62; 90	420.6	Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A. Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA CrystEngComm, 2021, 23, 4444-4450
7242881	CIF	C2 N3 S3	P 1 21/c 1	9.323; 3.4191; 14.678 90; 104.31; 90	453.4	Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A. Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA CrystEngComm, 2021, 23, 4444-4450
7242882	CIF	C2 N3 S3	P 1 21/c 1	9.24; 3.371; 14.596 90; 104.46; 90	440.2	Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A. Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA CrystEngComm, 2021, 23, 4444-4450
7242883	CIF	C2 N3 S3	P 1 21/c 1	9.07; 3.268; 14.418 90; 104.63; 90	413.5	Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A. Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA CrystEngComm, 2021, 23, 4444-4450
7242884	CIF	C82 H67 N Ni2 O28 Ti4	P -1	14.4874; 14.58; 22.5228 103.963; 91.48; 116.861	4068.4	Wang, Chao; Lu, Yong Jun; Rao, Ming Yang; Chen, Ning; Wang, Shou Juan; Kong, Fan Gong Co-crystal of Ti4Ni2 and Ti8Ni4 clusters with enhanced photochemical properties CrystEngComm, 2021, 23, 4402-4407
7242885	CIF	C226 H193 N7 Ni6 O78 Ti12	P -1	13.2237; 15.5692; 30.2206 78.592; 79.325; 71.855	5744.39	Wang, Chao; Lu, Yong Jun; Rao, Ming Yang; Chen, Ning; Wang, Shou Juan; Kong, Fan Gong Co-crystal of Ti4Ni2 and Ti8Ni4 clusters with enhanced photochemical properties CrystEngComm, 2021, 23, 4402-4407
7242886	CIF	C63 H52 N2 O4	P 21 21 21	10.0606; 20.736; 22.81 90; 90; 90	4758.5	Kodama, Koichi; Takase, Fusato; Hirose, Takuji Direct enantioseparation of axially chiral 1,1′-biaryl-2,2′-diols using amidine-based resolving agents RSC Advances, 2021, 11, 18162-18170
7242887	CIF	C13 H13 N3 O3	P 1 21 1	9.4244; 5.0509; 13.2982 90; 100.928; 90	621.54	Kodama, Koichi; Takase, Fusato; Hirose, Takuji Direct enantioseparation of axially chiral 1,1′-biaryl-2,2′-diols using amidine-based resolving agents RSC Advances, 2021, 11, 18162-18170
7242888	CIF	C40 H44 N2 O2	P 21 21 21	10.6751; 12.6375; 23.647 90; 90; 90	3190.1	Kodama, Koichi; Takase, Fusato; Hirose, Takuji Direct enantioseparation of axially chiral 1,1′-biaryl-2,2′-diols using amidine-based resolving agents RSC Advances, 2021, 11, 18162-18170
7242889	CIF	C27 H18 Br2 N4 S2	P -1	7.8533; 11.2055; 14.9614 109.965; 95.868; 95.134	1220.1	Wang, Kai-Kai; Li, Yan-Li; Guo, Dong-Guang; Pan, Peng-Tao; Sun, Aili; Chen, Rongxiang Synthesis of spiro[4.4]thiadiazole derivatives via double 1,3-dipolar cycloaddition of hydrazonyl chlorides with carbon disulfide RSC Advances, 2021, 11, 18404-18407
7242890	CIF	C13 H11 N3	P 21 21 21	5.9524; 10.0773; 17.1337 90; 90; 90	1027.75	Fiore, Cecilia; Shemchuk, Oleksii; Grepioni, Fabrizia; Turner, Raymond J.; Braga, Dario Proflavine and zinc chloride “team chemistry”: combining antibacterial agents via solid-state interaction CrystEngComm, 2021, 23, 4494-4499
7242891	CIF	C13 H16 Cl N3 O2	P -1	7.517; 12.5737; 15.5867 89.941; 77.478; 75.976	1393.23	Fiore, Cecilia; Shemchuk, Oleksii; Grepioni, Fabrizia; Turner, Raymond J.; Braga, Dario Proflavine and zinc chloride “team chemistry”: combining antibacterial agents via solid-state interaction CrystEngComm, 2021, 23, 4494-4499
7242892	CIF	C26 H26 Cl4 N6 O Zn	P -1	8.7727; 10.1439; 16.8688 100.796; 93.143; 112.422	1349.85	Fiore, Cecilia; Shemchuk, Oleksii; Grepioni, Fabrizia; Turner, Raymond J.; Braga, Dario Proflavine and zinc chloride “team chemistry”: combining antibacterial agents via solid-state interaction CrystEngComm, 2021, 23, 4494-4499
7242893	CIF	C13 H12 Cl3 N3 Zn	P -1	12.1724; 9.6326; 6.7045 104.858; 104.436; 85.7581	735.8	Fiore, Cecilia; Shemchuk, Oleksii; Grepioni, Fabrizia; Turner, Raymond J.; Braga, Dario Proflavine and zinc chloride “team chemistry”: combining antibacterial agents via solid-state interaction CrystEngComm, 2021, 23, 4494-4499
7242894	CIF	C23 H33 Co N5 O10 S	P -1	7.144; 12.849; 15.65 75.61; 83.28; 83.22	1376	Yan, Min; Zhu, Peizhi; Yang, Shengyang; Kong, Wei-Jian; Wang, Jian; Zhang, Kou-Lin A newly-constructed hydrolytically stable Co(ii) coordination polymer showing dual responsive fluorescence sensing of pH and Cu2+ CrystEngComm, 2021, 23, 4370-4381
7242895	CIF	C10 H8 O3	P -1	6.8212; 13.3401; 18.5886 80.8654; 89.4342; 81.6705	1652.26	Yano, Kanae; Nishimura, Ryo; Hattori, Yohei; Morimoto, Masakazu; Sugiyama, Haruki; Kamitanaka, Takashi; Yokojima, Satoshi; Nakamura, Shinichio; Uchida, Kingo Photoinduced topographical surface changes and photoresponse of the crystals of 7-methoxycoumarin CrystEngComm, 2021, 23, 5780-5787
7242896	CIF	C10 H8 O3	P -1	6.8504; 10.7265; 12.3293 107.962; 95.521; 95.436	850.38	Yano, Kanae; Nishimura, Ryo; Hattori, Yohei; Morimoto, Masakazu; Sugiyama, Haruki; Kamitanaka, Takashi; Yokojima, Satoshi; Nakamura, Shinichio; Uchida, Kingo Photoinduced topographical surface changes and photoresponse of the crystals of 7-methoxycoumarin CrystEngComm, 2021, 23, 5780-5787
7242897	CIF	C10 H8 O3	P -1	6.8137; 10.6684; 12.4313 108.189; 95.2297; 95.2045	848.11	Yano, Kanae; Nishimura, Ryo; Hattori, Yohei; Morimoto, Masakazu; Sugiyama, Haruki; Kamitanaka, Takashi; Yokojima, Satoshi; Nakamura, Shinichio; Uchida, Kingo Photoinduced topographical surface changes and photoresponse of the crystals of 7-methoxycoumarin CrystEngComm, 2021, 23, 5780-5787
7242898	CIF	C20 H16 O6	P b c n	14.6312; 12.0469; 18.6651 90; 90; 90	3289.9	Yano, Kanae; Nishimura, Ryo; Hattori, Yohei; Morimoto, Masakazu; Sugiyama, Haruki; Kamitanaka, Takashi; Yokojima, Satoshi; Nakamura, Shinichio; Uchida, Kingo Photoinduced topographical surface changes and photoresponse of the crystals of 7-methoxycoumarin CrystEngComm, 2021, 23, 5780-5787
7242899	CIF	C12 H12 Na3.8 O45 Ru2 W8	P 1 21/n 1	10.3129; 16.4452; 14.8941 90; 103.446; 90	2456.77	Mukhacheva, Anna A.; Komarov, Vladislav Yu.; Kokovkin, Vasily V.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N. Unusual π‒π interactions directed by the [{(C6H6)Ru}2W8O30(OH)2]6− hybrid anion CrystEngComm, 2021, 23, 4125-4135
7242900	CIF	C12 H12 Na6 O52 Ru2 W8	C 1 2/c 1	25.8211; 16.9966; 17.3342 90; 127.743; 90	6015.7	Mukhacheva, Anna A.; Komarov, Vladislav Yu.; Kokovkin, Vasily V.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N. Unusual π‒π interactions directed by the [{(C6H6)Ru}2W8O30(OH)2]6− hybrid anion CrystEngComm, 2021, 23, 4125-4135
7242901	CIF	C12 H54 Na4 O48.95 Ru2 W8	I 1 2/a 1	20.5086; 17.1615; 17.3902 90; 93.08; 90	6111.8	Mukhacheva, Anna A.; Komarov, Vladislav Yu.; Kokovkin, Vasily V.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N. Unusual π‒π interactions directed by the [{(C6H6)Ru}2W8O30(OH)2]6− hybrid anion CrystEngComm, 2021, 23, 4125-4135
7242902	CIF	C12 H12 Na0.5 O38.7 Ru2 W8	C 1 2/c 1	24.1881; 18.2571; 16.5476 90; 125.354; 90	5959.9	Mukhacheva, Anna A.; Komarov, Vladislav Yu.; Kokovkin, Vasily V.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N. Unusual π‒π interactions directed by the [{(C6H6)Ru}2W8O30(OH)2]6− hybrid anion CrystEngComm, 2021, 23, 4125-4135
7242903	CIF	C12 H12 Na4.2 O54.4 Ru2 W8	C 1 2/c 1	25.5718; 17.0393; 17.3183 90; 127.656; 90	5974.14	Mukhacheva, Anna A.; Komarov, Vladislav Yu.; Kokovkin, Vasily V.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N. Unusual π‒π interactions directed by the [{(C6H6)Ru}2W8O30(OH)2]6− hybrid anion CrystEngComm, 2021, 23, 4125-4135
7242904	CIF	C50 H38 N4 O13 Zn2	C 1 2/c 1	41.592; 16.437; 14.21 90; 90.489; 90	9714	Yang, Xiang-Kai; Lee, Wei-Te; Hu, Ji-Hong; Chen, Jhy-Der Zn(ii) and Cd(ii) coordination polymers with a new angular bis-pyridyl-bis-amide: synthesis, structures and sensing properties CrystEngComm, 2021, 23, 4486-4493
7242905	CIF	C52 H40 Cd2 N4 O12	P 1 21/n 1	14.2507; 19.6734; 16.6986 90; 98.1584; 90	4634.2	Yang, Xiang-Kai; Lee, Wei-Te; Hu, Ji-Hong; Chen, Jhy-Der Zn(ii) and Cd(ii) coordination polymers with a new angular bis-pyridyl-bis-amide: synthesis, structures and sensing properties CrystEngComm, 2021, 23, 4486-4493
7242906	CIF	C15 H25 O5.5	P 1 21 1	6.1285; 32.973; 7.7602 90; 108.863; 90	1483.9	Zhao, Zhen-Zhu; Zhao, Qi-Lu; Feng, Wei-Sheng; He, Hai-Rong; Li, Meng; Xue, Gui-Min; Chen, He-Ping; Liu, Ji-Kai Structure and absolute configuration assignments of ochracines F–L, chamigrane and cadinane sesquiterpenes from the basidiomycete Steccherinum ochraceum HFG119 RSC Advances, 2021, 11, 18693-18701
7242907	CIF	C27 H39 Cl2 K10 N13.5 O64 V24	P 1 21/n 1	13.0012; 20.168; 38.2835 90; 93.6201; 90	10018.2	Greiner, Simon; Anjass, Montaha; Streb, Carsten Supramolecular assembly of a hierarchically structured 3D potassium vanadate framework CrystEngComm, 2021, 23, 3946-3950
7242908	CIF	C25 H35 N O5	P 65	17.676; 17.676; 13.136 90; 90; 120	3554.36	Yi, Xue-Wen; He, Juan; Sun, Li-Tang; Liu, Ji-Kai; Wang, Guo-Kai; Feng, Tao 3-Decalinoyltetramic acids from kiwi-associated fungus Zopfiella sp. and their antibacterial activity against Pseudomonas syringae RSC Advances, 2021, 11, 18827-18831
7242909	CIF	C23 H29 N O4	P 21 21 21	6.8544; 43.892; 6.7683 90; 90; 90	2036.27	Yi, Xue-Wen; He, Juan; Sun, Li-Tang; Liu, Ji-Kai; Wang, Guo-Kai; Feng, Tao 3-Decalinoyltetramic acids from kiwi-associated fungus Zopfiella sp. and their antibacterial activity against Pseudomonas syringae RSC Advances, 2021, 11, 18827-18831
7242910	CIF	C17 H23 Br2 Cd N5 O	P n a 21	11.5549; 14.9462; 12.0964 90; 90; 90	2089.1	Choe, Solhye; Lee, Hyosun; Nayab, Saira Synthesis, structures, and catalytic efficiency in ring opening polymerization of rac-lactide with tridentate vs. bidentate cobalt(ii), zinc(ii), and cadmium(ii) complexes containing N-substituted N,N-bis((3,5-dimethyl-1H-pyrazol-1-yl)methyl)amine ligands RSC Advances, 2021, 11, 18840-18851
7242911	CIF	C21 H29 Br2 Cd N5	P -1	8.983; 13.25; 21.86 107.51; 99.64; 93.76	2427.6	Choe, Solhye; Lee, Hyosun; Nayab, Saira Synthesis, structures, and catalytic efficiency in ring opening polymerization of rac-lactide with tridentate vs. bidentate cobalt(ii), zinc(ii), and cadmium(ii) complexes containing N-substituted N,N-bis((3,5-dimethyl-1H-pyrazol-1-yl)methyl)amine ligands RSC Advances, 2021, 11, 18840-18851
7242912	CIF	C21 H29 Cl2 N5 Zn	P 1 21/n 1	12.837; 12.585; 14.222 90; 92.04; 90	2296.2	Choe, Solhye; Lee, Hyosun; Nayab, Saira Synthesis, structures, and catalytic efficiency in ring opening polymerization of rac-lactide with tridentate vs. bidentate cobalt(ii), zinc(ii), and cadmium(ii) complexes containing N-substituted N,N-bis((3,5-dimethyl-1H-pyrazol-1-yl)methyl)amine ligands RSC Advances, 2021, 11, 18840-18851
7242913	CIF	C21 H29 Cl2 Co N5	P 1 21/n 1	12.775; 12.623; 14.263 90; 92; 90	2298.6	Choe, Solhye; Lee, Hyosun; Nayab, Saira Synthesis, structures, and catalytic efficiency in ring opening polymerization of rac-lactide with tridentate vs. bidentate cobalt(ii), zinc(ii), and cadmium(ii) complexes containing N-substituted N,N-bis((3,5-dimethyl-1H-pyrazol-1-yl)methyl)amine ligands RSC Advances, 2021, 11, 18840-18851
7242914	CIF	C17 H23 Cl2 Co N5 O	P 1 21/n 1	13.536; 10.185; 14.325 90; 95.38; 90	1966.2	Choe, Solhye; Lee, Hyosun; Nayab, Saira Synthesis, structures, and catalytic efficiency in ring opening polymerization of rac-lactide with tridentate vs. bidentate cobalt(ii), zinc(ii), and cadmium(ii) complexes containing N-substituted N,N-bis((3,5-dimethyl-1H-pyrazol-1-yl)methyl)amine ligands RSC Advances, 2021, 11, 18840-18851
7242915	CIF	C17 H23 Cl2 N5 O Zn	C m c 21	14.177; 11.34; 12.075 90; 90; 90	1941.3	Choe, Solhye; Lee, Hyosun; Nayab, Saira Synthesis, structures, and catalytic efficiency in ring opening polymerization of rac-lactide with tridentate vs. bidentate cobalt(ii), zinc(ii), and cadmium(ii) complexes containing N-substituted N,N-bis((3,5-dimethyl-1H-pyrazol-1-yl)methyl)amine ligands RSC Advances, 2021, 11, 18840-18851
7242916	CIF	C28 H38 S2 Si2	P 1 21/c 1	17.6427; 11.2395; 14.1794 90; 95.121; 90	2800.5	Obayashi, Kotaro; Imato, Keiichi; Aoyama, Satoshi; Enoki, Toshiaki; Akiyama, Seiji; Ishida, Mio; Suga, Seiji; Mitsudo, Koichi; Ooyama, Yousuke Synthesis, optical and electrochemical properties of 4,4′-bibenzo[c]thiophene derivatives RSC Advances, 2021, 11, 18870-18880
7242917	CIF	C40 H66 S2 Si4	P -1	7.5572; 13.6372; 22.295 72.523; 89.93; 81.09	2162.7	Obayashi, Kotaro; Imato, Keiichi; Aoyama, Satoshi; Enoki, Toshiaki; Akiyama, Seiji; Ishida, Mio; Suga, Seiji; Mitsudo, Koichi; Ooyama, Yousuke Synthesis, optical and electrochemical properties of 4,4′-bibenzo[c]thiophene derivatives RSC Advances, 2021, 11, 18870-18880
7242918	CIF	C60 H36 Co4 F3 N15 O10 S	P 21 3	23.6033; 23.6033; 23.6033 90; 90; 90	13149.8	Liu, Teng; Shen, Xianfu; Shen, Xiang; He, Chixian; Liu, Jiaming; Liu, Jian-Jun A highly stable metal‒organic framework with cubane-like clusters for the selective oxidation of aryl alkenes to aldehydes or ketones CrystEngComm, 2021, 23, 4667-4673
7242919	CIF	C24 H23 B Dy Fe N14 O9	P 1 21/c 1	17.196; 14.198; 13.203 90; 90.97; 90	3223	Visinescu, Diana; Alexandru, Maria-Gabriela; Dumitrescu, Dan G.; Shova, Sergiu; Moliner, Nicolás; Lloret, Francesc; Julve, Miguel Cyanido-bridged {FeIIILnIII} heterobimetallic chains assembled through the [FeIII{HB(pz)3}(CN)3]− complex as metalloligand: synthesis, crystal structure and magnetic properties CrystEngComm, 2021, 23, 4615-4626
7242920	CIF	C24 H23 B Fe Ho N14 O9	P 1 21/c 1	17.194; 14.188; 13.177 90; 90.93; 90	3214.1	Visinescu, Diana; Alexandru, Maria-Gabriela; Dumitrescu, Dan G.; Shova, Sergiu; Moliner, Nicolás; Lloret, Francesc; Julve, Miguel Cyanido-bridged {FeIIILnIII} heterobimetallic chains assembled through the [FeIII{HB(pz)3}(CN)3]− complex as metalloligand: synthesis, crystal structure and magnetic properties CrystEngComm, 2021, 23, 4615-4626
7242921	CIF	C24 H23 B Fe N14 O9 Tb	P 1 21/c 1	17.221; 14.199; 13.197 90; 90.93; 90	3226.5	Visinescu, Diana; Alexandru, Maria-Gabriela; Dumitrescu, Dan G.; Shova, Sergiu; Moliner, Nicolás; Lloret, Francesc; Julve, Miguel Cyanido-bridged {FeIIILnIII} heterobimetallic chains assembled through the [FeIII{HB(pz)3}(CN)3]− complex as metalloligand: synthesis, crystal structure and magnetic properties CrystEngComm, 2021, 23, 4615-4626
7242922	CIF	C24 H23 B Fe Gd N14 O9	P 1 21/c 1	17.244; 14.193; 13.216 90; 90.93; 90	3234.1	Visinescu, Diana; Alexandru, Maria-Gabriela; Dumitrescu, Dan G.; Shova, Sergiu; Moliner, Nicolás; Lloret, Francesc; Julve, Miguel Cyanido-bridged {FeIIILnIII} heterobimetallic chains assembled through the [FeIII{HB(pz)3}(CN)3]− complex as metalloligand: synthesis, crystal structure and magnetic properties CrystEngComm, 2021, 23, 4615-4626
7242923	CIF	C32 H46 F2 N4 O4 S8	P -1	8.1311; 11.9456; 12.1 103.82; 109.146; 93.699	1064.98	Akhmadiev, Nail S.; Mescheryakova, Ekaterina S.; Akhmetova, Vnira R.; Ibragimov, Askhat G. Metal-free multicomponent synthesis of novel macrocyclic tetrathiadienes with cyano and amino groups RSC Advances, 2021, 11, 18768-18775
7242924	CIF	C10 H5 F N2	P -1	6.9541; 7.3664; 9.1492 107.194; 99.036; 102.848	423.86	Akhmadiev, Nail S.; Mescheryakova, Ekaterina S.; Akhmetova, Vnira R.; Ibragimov, Askhat G. Metal-free multicomponent synthesis of novel macrocyclic tetrathiadienes with cyano and amino groups RSC Advances, 2021, 11, 18768-18775
7242925	CIF	C36 H58 Cl2 N4 O6 S10	P b c a	18.6; 9.7722; 28.091 90; 90; 90	5105.9	Akhmadiev, Nail S.; Mescheryakova, Ekaterina S.; Akhmetova, Vnira R.; Ibragimov, Askhat G. Metal-free multicomponent synthesis of novel macrocyclic tetrathiadienes with cyano and amino groups RSC Advances, 2021, 11, 18768-18775
7242926	CIF	C26 H16 Cd Cl N6 O11	P -1	6.6598; 10.7886; 19.2106 96.432; 98.294; 107.416	1285.5	Zhang, Guoshuai; Fu, Chen; Zhang, Heyi; Zhang, Hong A multifunctional colorimetric sensor originating from a cadmium naphthalene diimide-based metal‒organic framework: photochromism, hydrochromism, and vapochromism CrystEngComm, 2021, 23, 4513-4521
7242927	CIF	C35 H29 N3	P -1	8.6981; 12.6447; 12.8788 81.679; 77.685; 78.768	1349.48	Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D. Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints CrystEngComm, 2021, 23, 4500-4512
7242928	CIF	C20 H19 N O2	P 1 21/c 1	10.7625; 32.3176; 8.613 90; 98.945; 90	2959.3	Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D. Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints CrystEngComm, 2021, 23, 4500-4512
7242929	CIF	C15 H12 I2	P 1 21/c 1	8.4109; 9.6735; 17.0655 90; 90.496; 90	1388.45	Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D. Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints CrystEngComm, 2021, 23, 4500-4512
7242930	CIF	C21 H21 N O4	P 1 21/n 1	10.4257; 8.8243; 18.7805 90; 101.546; 90	1692.83	Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D. Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints CrystEngComm, 2021, 23, 4500-4512
7242931	CIF	C19 H18 N2 O2	P -1	8.7457; 9.3638; 11.2739 108.887; 91.171; 113.671	787.91	Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D. Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints CrystEngComm, 2021, 23, 4500-4512
7242932	CIF	C24 H25 N O4	P 1 21/n 1	10.9539; 9.5493; 19.3902 90; 104.652; 90	1962.3	Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D. Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints CrystEngComm, 2021, 23, 4500-4512
7242933	CIF	C21 H21 N O2	P 1 21/c 1	15.2738; 10.3218; 10.2175 90; 93.356; 90	1608.06	Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D. Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints CrystEngComm, 2021, 23, 4500-4512
7242934	CIF	C15 H15 N O	P 1 21/c 1	9.1836; 9.4806; 13.2584 90; 99.767; 90	1137.62	Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D. Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints CrystEngComm, 2021, 23, 4500-4512
7242935	CIF	C19 H20 N2 O2	P 1 21 1	9.7431; 6.9459; 12.1403 90; 105.257; 90	792.63	Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D. Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints CrystEngComm, 2021, 23, 4500-4512
7242936	CIF	C18 H19 N O	I 41 c d	24.7956; 24.7956; 9.4744 90; 90; 90	5825.07	Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D. Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints CrystEngComm, 2021, 23, 4500-4512
7242937	CIF	C21 H19 N3	I 1 2/a 1	18.4256; 11.2921; 16.4939 90; 99.223; 90	3387.42	Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D. Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints CrystEngComm, 2021, 23, 4500-4512
7242938	CIF	C29 H24 N2 O2	P 1 21/n 1	10.6932; 8.4601; 25.0272 90; 101.328; 90	2219.99	Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D. Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints CrystEngComm, 2021, 23, 4500-4512
7242939	CIF	C24 H21 N	C 1 2/c 1	22.0584; 9.7183; 16.5596 90; 99.142; 90	3504.79	Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D. Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints CrystEngComm, 2021, 23, 4500-4512
7242940	CIF	C52 H46 N4	P b c a	9.8042; 15.4073; 52.7317 90; 90; 90	7965.5	Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D. Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints CrystEngComm, 2021, 23, 4500-4512
7242941	CIF	C32 H28 Cl3 N O2	I 1 2/a 1	19.4622; 9.934; 29.6756 90; 93.325; 90	5727.7	Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D. Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints CrystEngComm, 2021, 23, 4500-4512
7242942	CIF	C25 H21 N O	P 1 21/n 1	12.6676; 9.9541; 15.1783 90; 108.164; 90	1818.53	Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D. Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints CrystEngComm, 2021, 23, 4500-4512
7242943	CIF	C28 H25 N O5	P -1	6.0395; 13.8019; 14.6137 67.4; 86.108; 81.742	1112.84	Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D. Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints CrystEngComm, 2021, 23, 4500-4512
7242944	CIF	C26 H24 Cl3 N O	P 21 21 21	6.1138; 11.1707; 33.835 90; 90; 90	2310.78	Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D. Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints CrystEngComm, 2021, 23, 4500-4512
7242945	CIF	C17 H8 F6 N2 O3	C 1 2/c 1	31.1491; 7.2268; 13.9772 90; 92.13; 90	3144.2	Brahmachari, Goutam; Karmakar, Indrajit; Karmakar, Pintu Catalyst- and solvent-free Csp2‒H functionalization of 4-hydroxycoumarins via C-3 dehydrogenative aza-coupling under ball-milling Green Chemistry, 2021, 23, 4762-4770
7242946	CIF	C22 H18 F3 N3	P 1 21 1	15.3849; 5.8934; 22.187 90; 110.051; 90	1889.7	Laurent, Mazarine; Bostyn, Stéphane; Marchivie, Mathieu; Robin, Yves; Routier, Sylvain; Buron, Frédéric Aminations and arylations by direct C‒O activation for the design of 7,8-dihydro-6H-5,8-ethanopyrido[3,2-d]pyrimidines RSC Advances, 2021, 11, 19363-19377
7242947	CIF	C30 H22 N4	P 1 21/n 1	12.3091; 14.2045; 16.5877 90; 101.973; 90	2837.2	Yin, Haiting; Ma, Qin; Wang, Yushan; Gu, Xiaoxia; Feng, Zhijun; Wu, Yunjun; Wang, Ming; Wang, Shaoyin Synthesis of tetrahydro-β-carbolines from 2-indolylmethyl azides and propargylic alcohols RSC Advances, 2021, 11, 19639-19646
7242948	CIF	C30 H22 N2	P 1 21/c 1	14.5637; 10.7601; 16.2434 90; 98.077; 90	2520.2	Yin, Haiting; Ma, Qin; Wang, Yushan; Gu, Xiaoxia; Feng, Zhijun; Wu, Yunjun; Wang, Ming; Wang, Shaoyin Synthesis of tetrahydro-β-carbolines from 2-indolylmethyl azides and propargylic alcohols RSC Advances, 2021, 11, 19639-19646
7242949	CIF	C34 H42 Cu2 N10 O5 Zn	P 21 21 21	10.269; 16.787; 20.919 90; 90; 90	3606	Hazari, Alokesh; Gomila, Rosa M.; Frontera, Antonio; Drew, Michael G. B.; Ghosh, Ashutosh Change in molecular shapes of the trinuclear CuII2ZnII complexes on Schiff base reduction: structural and theoretical investigations CrystEngComm, 2021, 23, 4848-4856
7242950	CIF	C36 H44 Cu2 N10 O4 Zn	P 1 21/c 1	19.337; 20.605; 21.248 90; 115.62; 90	7634	Hazari, Alokesh; Gomila, Rosa M.; Frontera, Antonio; Drew, Michael G. B.; Ghosh, Ashutosh Change in molecular shapes of the trinuclear CuII2ZnII complexes on Schiff base reduction: structural and theoretical investigations CrystEngComm, 2021, 23, 4848-4856
7242951	CIF	C13 H16 Cl2 N2 O8	P 21 21 2	13.0155; 13.2744; 4.9013 90; 90; 90	846.81	Han, Ding-Chong; Li, Yu-Kong; Liu, Yao; Tan, Yu-Hui; Tang, Yun-Zhi; Wei, Wen-Juan; Du, Peng-Kang; Zhang, Hao Para‒ferroelectric phase transition induces an excellent second harmonic generation response and a prominent switchable dielectric constant change based on a metal-free ionic crystal CrystEngComm, 2021, 23, 5306-5313
7242952	CIF	C86 H86 N36 O20	P 1 21/c 1	14.3621; 24.1237; 27.1906 90; 98.023; 90	9328.4	Higginbotham, Heather; Maniam, Subashani; Hsia, Tina; Isaacs, Lyle D.; Langford, Steven J.; Bell, Toby D. M. Self-assembled, optically-active {naphthalene diimide}U{cucurbit[8]uril} ensembles in an aqueous environment Physical Chemistry Chemical Physics, 2021
7242953	CIF	C22 H19 O4	P -1	8.9676; 8.9772; 11.5304 76.582; 77.282; 85.623	880.44	Barton, Benita; Senekal, Ulrich; Hosten, Eric C. Comparing the host behaviour of roof-shaped compounds trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid and its dimethyl ester in the presence of mixtures of xylene and ethylbenzene guests CrystEngComm, 2021, 23, 4560-4572
7242954	CIF	C22.67 H21.33 O4	P b c n	21.1712; 15.3453; 11.4218 90; 90; 90	3710.7	Barton, Benita; Senekal, Ulrich; Hosten, Eric C. Comparing the host behaviour of roof-shaped compounds trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid and its dimethyl ester in the presence of mixtures of xylene and ethylbenzene guests CrystEngComm, 2021, 23, 4560-4572
7242955	CIF	C45 H27 Cu2 F6 N2 O6	P 1 21/n 1	14.155; 10.243; 14.822 90; 114.922; 90	1949	Mahesha,; Pampa, K. J.; Karthik, C. S.; Hema, M. K.; Mallu, P.; Lokanath, N. K. Post-synthetic modification of supramolecular assemblies of β-diketonato Cu(ii) complexes: comparing and contrasting the molecular topology by crystal structure and quantum computational studies CrystEngComm, 2021, 23, 4344-4369
7242956	CIF	C30 H22 Cu F6 O5 S	P -1	8.3115; 12.3766; 14.844 68.362; 86.264; 81.552	1403.9	Mahesha,; Pampa, K. J.; Karthik, C. S.; Hema, M. K.; Mallu, P.; Lokanath, N. K. Post-synthetic modification of supramolecular assemblies of β-diketonato Cu(ii) complexes: comparing and contrasting the molecular topology by crystal structure and quantum computational studies CrystEngComm, 2021, 23, 4344-4369
7242957	CIF	C25 H18 Cu F3 N O5	P 1 21/n 1	11.688; 15.619; 12.799 90; 107.847; 90	2224.1	Mahesha,; Pampa, K. J.; Karthik, C. S.; Hema, M. K.; Mallu, P.; Lokanath, N. K. Post-synthetic modification of supramolecular assemblies of β-diketonato Cu(ii) complexes: comparing and contrasting the molecular topology by crystal structure and quantum computational studies CrystEngComm, 2021, 23, 4344-4369
7242958	CIF	C10 H16 Ag N5 O3 S2	P -4 21 m	13.1512; 13.1512; 4.3773 90; 90; 90	757.07	Ristić, Predrag; Filipović, Nenad; Blagojević, Vladimir; Ćirković, Jovana; Holló, Berta Barta; Đokić, Veljko R.; Donnard, Morgan; Gulea, Mihaela; Marjanović, Ivana; Klisurić, Olivera R.; Todorović, Tamara R. 2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior CrystEngComm, 2021, 23, 4799-4815
7242959	CIF	C10 H16 Ag Cl N4 O4 S2	P -4 21 m	13.1198; 13.1198; 4.686 90; 90; 90	806.6	Ristić, Predrag; Filipović, Nenad; Blagojević, Vladimir; Ćirković, Jovana; Holló, Berta Barta; Đokić, Veljko R.; Donnard, Morgan; Gulea, Mihaela; Marjanović, Ivana; Klisurić, Olivera R.; Todorović, Tamara R. 2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior CrystEngComm, 2021, 23, 4799-4815
7242960	CIF	C18 H24 Ag1.5 Cl1.5 N12 O6	P n n n :2	12.6128; 13.1579; 16.1737 90; 90; 90	2684.15	Ristić, Predrag; Filipović, Nenad; Blagojević, Vladimir; Ćirković, Jovana; Holló, Berta Barta; Đokić, Veljko R.; Donnard, Morgan; Gulea, Mihaela; Marjanović, Ivana; Klisurić, Olivera R.; Todorović, Tamara R. 2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior CrystEngComm, 2021, 23, 4799-4815
7242961	CIF	C12 H18 Ag N9 O4	P -1	6.6706; 10.5894; 13.5484 91.104; 99.965; 103.416	915.1	Ristić, Predrag; Filipović, Nenad; Blagojević, Vladimir; Ćirković, Jovana; Holló, Berta Barta; Đokić, Veljko R.; Donnard, Morgan; Gulea, Mihaela; Marjanović, Ivana; Klisurić, Olivera R.; Todorović, Tamara R. 2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior CrystEngComm, 2021, 23, 4799-4815
7242962	CIF	C16 H18 N2 O2 S	P 1 21/c 1	19.277; 9.64; 8.8871 90; 81.711; 90	1634.2	Wang, Pengfei; Meng, Fanda; Su, Hao; Liu, Lijie; Khan, Maroof Ahmad; Li, Hui A highly selective “turn-on” water-soluble fluorescent sensor for gallium ion detection RSC Advances, 2021, 11, 19747-19754
7242963	CIF	C15 H19 N2 O5 Re	P 1 21/n 1	10.3946; 7.1672; 22.2958 90; 94.2819; 90	1656.4	Maryunina, Kseniya; Letyagin, Gleb; Bogomyakov, Artem; Morozov, Vitaly; Tumanov, Sergey; Veber, Sergey; Fedin, Matvey; Saverina, Evgeniya; Syroeshkin, Mikhail; Egorov, Mikhail; Romanenko, Galina; Ovcharenko, Victor Re(i)-nitroxide complexes RSC Advances, 2021, 11, 19902-19907
7242964	CIF	C15 H16 N2 O5 Re	P -1	10.382; 10.503; 16.36 80.32; 80.44; 74.62	1681.6	Maryunina, Kseniya; Letyagin, Gleb; Bogomyakov, Artem; Morozov, Vitaly; Tumanov, Sergey; Veber, Sergey; Fedin, Matvey; Saverina, Evgeniya; Syroeshkin, Mikhail; Egorov, Mikhail; Romanenko, Galina; Ovcharenko, Victor Re(i)-nitroxide complexes RSC Advances, 2021, 11, 19902-19907
7242965	CIF	C15 H16 N2 O5 Re	P 1 21/n 1	17.0007; 10.2467; 20.5719 90; 110.439; 90	3358.04	Maryunina, Kseniya; Letyagin, Gleb; Bogomyakov, Artem; Morozov, Vitaly; Tumanov, Sergey; Veber, Sergey; Fedin, Matvey; Saverina, Evgeniya; Syroeshkin, Mikhail; Egorov, Mikhail; Romanenko, Galina; Ovcharenko, Victor Re(i)-nitroxide complexes RSC Advances, 2021, 11, 19902-19907
7242966	CIF	C15 H16 N2 O5 Re	P 1 21/c 1	11.8875; 10.0482; 14.1283 90; 92.488; 90	1686.01	Maryunina, Kseniya; Letyagin, Gleb; Bogomyakov, Artem; Morozov, Vitaly; Tumanov, Sergey; Veber, Sergey; Fedin, Matvey; Saverina, Evgeniya; Syroeshkin, Mikhail; Egorov, Mikhail; Romanenko, Galina; Ovcharenko, Victor Re(i)-nitroxide complexes RSC Advances, 2021, 11, 19902-19907
7242967	CIF	C15 H16 N2 O4 Re	P 1 21/c 1	6.852; 24.5256; 10.3668 90; 108.523; 90	1651.89	Maryunina, Kseniya; Letyagin, Gleb; Bogomyakov, Artem; Morozov, Vitaly; Tumanov, Sergey; Veber, Sergey; Fedin, Matvey; Saverina, Evgeniya; Syroeshkin, Mikhail; Egorov, Mikhail; Romanenko, Galina; Ovcharenko, Victor Re(i)-nitroxide complexes RSC Advances, 2021, 11, 19902-19907
7242968	CIF	C16 H14 O3	P 1 21/c 1	12.0638; 8.9307; 12.9341 90; 108.465; 90	1321.8	Abdul Salam, Abdul Ajees; T., Shilpa; Kumar S., Madan; Bankapur, Aseefhali; Sinha, Rajeev K.; Simon, Lalitha; Chidangil, Santhosh Effect of OH substitution in 3-benzylchroman-4-ones: crystallographic, CSD, DFT, FTIR, Hirshfeld surface, and energy framework analysis RSC Advances, 2021, 11, 20123-20136
7242969	CIF	C18 H18 O4	P 1 21/n 1	7.385; 27.33; 8.364 90; 115.63; 90	1522	Abdul Salam, Abdul Ajees; T., Shilpa; Kumar S., Madan; Bankapur, Aseefhali; Sinha, Rajeev K.; Simon, Lalitha; Chidangil, Santhosh Effect of OH substitution in 3-benzylchroman-4-ones: crystallographic, CSD, DFT, FTIR, Hirshfeld surface, and energy framework analysis RSC Advances, 2021, 11, 20123-20136
7242970	CIF	C32 H23 N O6 S	P -1	10.5537; 11.0474; 13.2402 114.381; 99; 101.915	1324.2	Lin, Huawei; Yang, Huimin; Gong, Qi; Luo, Shan; Gu, Jing; Cao, Xiaoqun; Mao, Biming; Ge, Yanqing; Yuan, Chunhao Construction of cyclopentane-fused coumarins via DBU-catalyzed [3+2] cycloaddition of 3-homoacyl coumarins with cyclic 1-azadienes RSC Advances, 2021, 11, 20118-20122
7242971	CIF	C21.5 H31 N O4.5	P 1 21/n 1	10.7505; 10.132; 18.7022 90; 103.122; 90	1983.93	Niu, Yuan-Yuan; Wang, Ling-Yang; Yu, Yue-Ming; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei Molecular adduct of amantadine ferulate presents a pathway for slowing in vitro/vivo releases and raising synergistic antiviral effects via dual optimization salification strategy CrystEngComm, 2021, 23, 4389-4401
7242972	CIF	C33 H19 N6 O6	P 1 21/c 1	10.7535; 8.9587; 27.8995 90; 96.321; 90	2671.4	Wang, Chen; You, Zi Xin; Xing, Yong-Heng; Bai, Feng-Ying; Shi, Zhan A three-dimensional supramolecular network structure through hydrogen bonding and π‒π interaction: synthesis, structure, and the fluorescence detection of balsalazide disodium CrystEngComm, 2021, 23, 4840-4847
7242973	CIF	C14 H7 I3 N O6	P 1 21/n 1	8.9598; 21.9155; 9.5862 90; 116.711; 90	1681.46	Wang, Chen; You, Zi Xin; Xing, Yong-Heng; Bai, Feng-Ying; Shi, Zhan A three-dimensional supramolecular network structure through hydrogen bonding and π‒π interaction: synthesis, structure, and the fluorescence detection of balsalazide disodium CrystEngComm, 2021, 23, 4840-4847
7242974	CIF	C14 H8 I2 N O6	C 1 2/c 1	14.811; 9.023; 24.11 90; 106.673; 90	3087	Wang, Chen; You, Zi Xin; Xing, Yong-Heng; Bai, Feng-Ying; Shi, Zhan A three-dimensional supramolecular network structure through hydrogen bonding and π‒π interaction: synthesis, structure, and the fluorescence detection of balsalazide disodium CrystEngComm, 2021, 23, 4840-4847
7242975	CIF	C64 H88 F12 N12 O18	P -1	11.7416; 12.0658; 15.0919 113.393; 98.517; 103.527	1837	Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V. Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure CrystEngComm, 2021, 23, 4767-4781
7242976	CIF	C19 H29 F2 N3 O6	P -1	7.664; 10.486; 15.09 74.09; 87.76; 69.95	1093.5	Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V. Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure CrystEngComm, 2021, 23, 4767-4781
7242977	CIF	C19 H29 F2 N3 O6	C 1 2/c 1	13.4328; 16.8984; 9.2577 90; 96.591; 90	2087.54	Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V. Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure CrystEngComm, 2021, 23, 4767-4781
7242978	CIF	C26 H32 F6 N6 O6	P 1 21/c 1	9.295; 14.527; 11.722 90; 109.33; 90	1493.6	Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V. Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure CrystEngComm, 2021, 23, 4767-4781
7242979	CIF	C7 H4 F3 N3 O0.5	P n a 21	13.9801; 15.5918; 3.6651 90; 90; 90	798.9	Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V. Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure CrystEngComm, 2021, 23, 4767-4781
7242980	CIF	C19 H29 Cl F N3 O6	C 1 2/c 1	27.0089; 10.124; 17.2092 90; 97.123; 90	4669.3	Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V. Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure CrystEngComm, 2021, 23, 4767-4781
7242981	CIF	C7 H5 F2 N3	P -1	7.1619; 7.5769; 7.6716 107.27; 100.818; 107.844	360.19	Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V. Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure CrystEngComm, 2021, 23, 4767-4781
7242982	CIF	C19 H28 Cl F2 N3 O6	P -1	7.3003; 9.7706; 16.622 89.928; 89.964; 75.875	1149.8	Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V. Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure CrystEngComm, 2021, 23, 4767-4781
7242983	CIF	C21 H16 Cl2 N2 O2	P -1	6.1089; 9.6567; 15.8773 87.008; 88.263; 88.159	934.49	Kikuchi, Yusuke; Matsumoto, Shinya Chlorinated diketopyrrolopyrrole dye exhibits a three-step polymorphic transition with thermosalient effects CrystEngComm, 2021, 23, 5882-5890
7242984	CIF	C21 H16 Cl2 N2 O2	P -1	7.5775; 7.9456; 16.2096 103.927; 96.226; 104.186	903.71	Kikuchi, Yusuke; Matsumoto, Shinya Chlorinated diketopyrrolopyrrole dye exhibits a three-step polymorphic transition with thermosalient effects CrystEngComm, 2021, 23, 5882-5890
7242985	CIF	C21 H16 Cl2 N2 O2	P -1	10.0941; 10.1582; 10.8283 63.183; 70.379; 80.704	933.3	Kikuchi, Yusuke; Matsumoto, Shinya Chlorinated diketopyrrolopyrrole dye exhibits a three-step polymorphic transition with thermosalient effects CrystEngComm, 2021, 23, 5882-5890
7242986	CIF	C21 H16 Cl2 N2 O2	P -1	10.0975; 10.1452; 10.8422 63.157; 70.317; 80.642	933.03	Kikuchi, Yusuke; Matsumoto, Shinya Chlorinated diketopyrrolopyrrole dye exhibits a three-step polymorphic transition with thermosalient effects CrystEngComm, 2021, 23, 5882-5890
7242987	CIF	C16 H8 Co1.2 Ni1.8 O10	P 1 21/c 1	11.7117; 12.099; 11.7979 90; 103.17; 90	1627.8	Yu, Bin-Bin; Hua, Yi-Wei; Huang, Qi; Ye, Si-Yuan; Zhang, Hao-Dong; Yan, Zheng; Li, Rui-Wen; Wu, Jun; Meng, Yan; Cao, Xuebo Two-dimensional stable and ultrathin cluster-based metal‒organic layers for efficient electrocatalytic water oxidation CrystEngComm, 2021, 23, 4700-4707