cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/cc827yh
title: CCDC 240496: Experimental Crystal Structure Determination

description: Related Article: A.Martin, M.Mena, A.Perez-Redondo, C.Yelamos|2004|Inorg.Chem.|43|2491|doi:10.1021/ic035493y
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc827zj
title: CCDC 240497: Experimental Crystal Structure Determination

description: Related Article: A.Martin, M.Mena, A.Perez-Redondo, C.Yelamos|2004|Inorg.Chem.|43|2491|doi:10.1021/ic035493y
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc8280l
title: CCDC 240498: Experimental Crystal Structure Determination

description: Related Article: A.Martin, M.Mena, A.Perez-Redondo, C.Yelamos|2004|Inorg.Chem.|43|2491|doi:10.1021/ic035493y
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc8281m
title: CCDC 240499: Experimental Crystal Structure Determination

description: Related Article: A.Martin, M.Mena, A.Perez-Redondo, C.Yelamos|2004|Inorg.Chem.|43|2491|doi:10.1021/ic035493y
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc828g1
title: CCDC 240512: Experimental Crystal Structure Determination

description: Related Article: T.Chivers, C.Fedorchuk, M.Parvez|2004|Inorg.Chem.|43|2643|doi:10.1021/ic0352755
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc828h2
title: CCDC 240513: Experimental Crystal Structure Determination

description: Related Article: T.Chivers, C.Fedorchuk, M.Parvez|2004|Inorg.Chem.|43|2643|doi:10.1021/ic0352755
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc828j3
title: CCDC 240514: Experimental Crystal Structure Determination

description: Related Article: T.Chivers, C.Fedorchuk, M.Parvez|2004|Inorg.Chem.|43|2643|doi:10.1021/ic0352755
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc828k4
title: CCDC 240515: Experimental Crystal Structure Determination

description: Related Article: T.Chivers, C.Fedorchuk, M.Parvez|2004|Inorg.Chem.|43|2643|doi:10.1021/ic0352755
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc828l5
title: CCDC 240516: Experimental Crystal Structure Determination

description: Related Article: T.Chivers, C.Fedorchuk, M.Parvez|2004|Inorg.Chem.|43|2643|doi:10.1021/ic0352755
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc828m6
title: CCDC 240517: Experimental Crystal Structure Determination

description: Related Article: T.Chivers, C.Fedorchuk, M.Parvez|2004|Inorg.Chem.|43|2643|doi:10.1021/ic0352755
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.24435/materialscloud:b0-7j
title: Thermoresponsive copolymer microgels synthesized via single-step precipitation polymerization: random or block structure?

description: The inner structure of polymeric microgels critically influences their responsiveness and potential applications, yet remaining challenging to resolve at molecular resolution. In this work, a structural characterization of thermoresponsive copolymer microgels is provided by integrating small-angle neutron scattering (SANS), dynamic light scattering (DLS), and nuclear magnetic resonance (NMR) measurements with multi-scale simulations. Specifically, Poly(N-isopropylacrylamide-co-N-isopropylmethacrylamide), P(NIPAM-co-NIPMAM), copolymer microgels, in which a random monomer distribution is conventionally assumed, are considered. By synthesizing different samples, including isotopically labeled microgels via selective deuteration, the microgels swelling behavior is probed and distinct polymer-specific signatures are revealed. To elucidate their internal distribution, monomer-resolved microgel simulations are performed across different copolymer models. A direct comparison between experimental and numerical form factors provides evidence of preferential organization into block structures, challenging the prevailing view of random distribution. 13C-NMR experiments confirm NIPAM-rich blocks and atomistic simulations link this unexpected block-like architecture to distinct local hydrogen-bonding patterns. This integrated approach provides the first direct evidence of preferential block formation in P(NIPAM-co-NIPMAM) microgels. Beyond this system, these results establish a generalizable strategy for unveiling hidden structural order in copolymer microgels, offering new strategies to tailor their design and to enhance control of material responsivity.
DOI: 10.24435/materialscloud:p6-3k
title: Thermoresponsive copolymer microgels synthesized via single-step precipitation polymerization: random or block structure?

description: The inner structure of polymeric microgels critically influences their responsiveness and potential applications, yet remaining challenging to resolve at molecular resolution. In this work, a structural characterization of thermoresponsive copolymer microgels is provided by integrating small-angle neutron scattering (SANS), dynamic light scattering (DLS), and nuclear magnetic resonance (NMR) measurements with multi-scale simulations. Specifically, Poly(N-isopropylacrylamide-co-N-isopropylmethacrylamide), P(NIPAM-co-NIPMAM), copolymer microgels, in which a random monomer distribution is conventionally assumed, are considered. By synthesizing different samples, including isotopically labeled microgels via selective deuteration, the microgels swelling behavior is probed and distinct polymer-specific signatures are revealed. To elucidate their internal distribution, monomer-resolved microgel simulations are performed across different copolymer models. A direct comparison between experimental and numerical form factors provides evidence of preferential organization into block structures, challenging the prevailing view of random distribution. 13C-NMR experiments confirm NIPAM-rich blocks and atomistic simulations link this unexpected block-like architecture to distinct local hydrogen-bonding patterns. This integrated approach provides the first direct evidence of preferential block formation in P(NIPAM-co-NIPMAM) microgels. Beyond this system, these results establish a generalizable strategy for unveiling hidden structural order in copolymer microgels, offering new strategies to tailor their design and to enhance control of material responsivity.
DOI: 10.5517/cc828q9
title: CCDC 240520: Experimental Crystal Structure Determination

description: Related Article: R.D.Adams, Shaobin Miao, M.D.Smith, H.Farach, C.E.Webster, J.Manson, M.B.Hall|2004|Inorg.Chem.|43|2515|doi:10.1021/ic0354419
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc828rb
title: CCDC 240521: Experimental Crystal Structure Determination

description: Related Article: R.D.Adams, Shaobin Miao, M.D.Smith, H.Farach, C.E.Webster, J.Manson, M.B.Hall|2004|Inorg.Chem.|43|2515|doi:10.1021/ic0354419
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc828sc
title: CCDC 240522: Experimental Crystal Structure Determination

description: Related Article: R.D.Adams, Shaobin Miao, M.D.Smith, H.Farach, C.E.Webster, J.Manson, M.B.Hall|2004|Inorg.Chem.|43|2515|doi:10.1021/ic0354419
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc828td
title: CCDC 240523: Experimental Crystal Structure Determination

description: Related Article: R.D.Adams, Shaobin Miao, M.D.Smith, H.Farach, C.E.Webster, J.Manson, M.B.Hall|2004|Inorg.Chem.|43|2515|doi:10.1021/ic0354419
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc828vf
title: CCDC 240524: Experimental Crystal Structure Determination

description: Related Article: R.D.Adams, Shaobin Miao, M.D.Smith, H.Farach, C.E.Webster, J.Manson, M.B.Hall|2004|Inorg.Chem.|43|2515|doi:10.1021/ic0354419
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc85c5y
title: CCDC 243479: Experimental Crystal Structure Determination

description: Related Article: R.D.Adams, Shaobin Miao, M.D.Smith, H.Farach, C.E.Webster, J.Manson, M.B.Hall|2004|Inorg.Chem.|43|2515|doi:10.1021/ic0354419
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc828wg
title: CCDC 240525: Experimental Crystal Structure Determination

description: Related Article: S.A.Willison, H.Jude, R.M.Antonelli, J.M.Rennekamp, N.A.Eckert, J.A.K.Bauer, W.B.Connick|2004|Inorg.Chem.|43|2548|doi:10.1021/ic035066k
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc828xh
title: CCDC 240526: Experimental Crystal Structure Determination

description: Related Article: S.A.Willison, H.Jude, R.M.Antonelli, J.M.Rennekamp, N.A.Eckert, J.A.K.Bauer, W.B.Connick|2004|Inorg.Chem.|43|2548|doi:10.1021/ic035066k
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc828yj
title: CCDC 240527: Experimental Crystal Structure Determination

description: Related Article: Wei-Kuo Chang, Ray-Kuang Chiang, Yau-Chen Jiang, Sue-Lein Wang, Shang-Fan Lee, Kwang-Hwa Lii|2004|Inorg.Chem.|43|2564|doi:10.1021/ic0353460
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc828zk
title: CCDC 240528: Experimental Crystal Structure Determination

description: Related Article: Wei-Kuo Chang, Ray-Kuang Chiang, Yau-Chen Jiang, Sue-Lein Wang, Shang-Fan Lee, Kwang-Hwa Lii|2004|Inorg.Chem.|43|2564|doi:10.1021/ic0353460
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc81zw4
title: CCDC 240246: Experimental Crystal Structure Determination

description: Related Article: J.Navarro, E.Sola, M.Martin, I.T.Dobrinovitch, F.J.Lahoz, L.A.Oro|2004|Organometallics|23|1908|doi:10.1021/om049953m
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc8293q
title: CCDC 240532: Experimental Crystal Structure Determination

description: Related Article: Lei Shi, Jiyang Li, Jihong Yu, Yi Li, Hong Ding, Ruren Xu|2004|Inorg.Chem.|43|2703|doi:10.1021/ic035329a
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc81zx5
title: CCDC 240247: Experimental Crystal Structure Determination

description: Related Article: J.Navarro, E.Sola, M.Martin, I.T.Dobrinovitch, F.J.Lahoz, L.A.Oro|2004|Organometallics|23|1908|doi:10.1021/om049953m
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc81zy6
title: CCDC 240248: Experimental Crystal Structure Determination

description: Related Article: J.Navarro, E.Sola, M.Martin, I.T.Dobrinovitch, F.J.Lahoz, L.A.Oro|2004|Organometallics|23|1908|doi:10.1021/om049953m
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc81zz7
title: CCDC 240249: Experimental Crystal Structure Determination

description: Related Article: J.Navarro, E.Sola, M.Martin, I.T.Dobrinovitch, F.J.Lahoz, L.A.Oro|2004|Organometallics|23|1908|doi:10.1021/om049953m
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc8200b
title: CCDC 240250: Experimental Crystal Structure Determination

description: Related Article: A.Kascatan-Nebioglu, M.J.Panzner, J.C.Garrison, C.A.Tessier, W.J.Youngs|2004|Organometallics|23|1928|doi:10.1021/om030689r
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc8201c
title: CCDC 240251: Experimental Crystal Structure Determination

description: Related Article: A.Kascatan-Nebioglu, M.J.Panzner, J.C.Garrison, C.A.Tessier, W.J.Youngs|2004|Organometallics|23|1928|doi:10.1021/om030689r
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc8202d
title: CCDC 240252: Experimental Crystal Structure Determination

description: Related Article: A.Kascatan-Nebioglu, M.J.Panzner, J.C.Garrison, C.A.Tessier, W.J.Youngs|2004|Organometallics|23|1928|doi:10.1021/om030689r
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc8204g
title: CCDC 240254: Experimental Crystal Structure Determination

description: Related Article: D.J.Darensbourg, C.G.Ortiz, J.W.Kamplain|2004|Organometallics|23|1747|doi:10.1021/om0343059
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc8205h
title: CCDC 240255: Experimental Crystal Structure Determination

description: Related Article: D.J.Darensbourg, C.G.Ortiz, J.W.Kamplain|2004|Organometallics|23|1747|doi:10.1021/om0343059
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc8206j
title: CCDC 240256: Experimental Crystal Structure Determination

description: Related Article: D.J.Darensbourg, C.G.Ortiz, J.W.Kamplain|2004|Organometallics|23|1747|doi:10.1021/om0343059
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc8207k
title: CCDC 240257: Experimental Crystal Structure Determination

description: Related Article: D.J.Darensbourg, C.G.Ortiz, J.W.Kamplain|2004|Organometallics|23|1747|doi:10.1021/om0343059
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc8208l
title: CCDC 240258: Experimental Crystal Structure Determination

description: Related Article: D.J.Darensbourg, C.G.Ortiz, J.W.Kamplain|2004|Organometallics|23|1747|doi:10.1021/om0343059
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc8209m
title: CCDC 240259: Experimental Crystal Structure Determination

description: Related Article: D.G.Yakhvarov, Y.H.Budnikova, Ngoc Hoa Tran Huy, L.Ricard, F.Mathey|2004|Organometallics|23|1961|doi:10.1021/om030671g
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.