cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc27q9kv
title: CCDC 2077017: Experimental Crystal Structure Determination

description: Related Article: Marc Camats, Isabelle Favier, Sonia Mallet-Ladeira, Daniel Pla, Montserrat Gómez|2022|Org.Biomol.Chem.|20|219|doi:10.1039/D1OB02118D
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/ccdc.csd.cc27q9lw
title: CCDC 2077018: Experimental Crystal Structure Determination

description: Related Article: Marc Camats, Isabelle Favier, Sonia Mallet-Ladeira, Daniel Pla, Montserrat Gómez|2022|Org.Biomol.Chem.|20|219|doi:10.1039/D1OB02118D
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/ccdc.csd.cc27q9mx
title: CCDC 2077019: Experimental Crystal Structure Determination

description: Related Article: Marc Camats, Isabelle Favier, Sonia Mallet-Ladeira, Daniel Pla, Montserrat Gómez|2022|Org.Biomol.Chem.|20|219|doi:10.1039/D1OB02118D
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/ccdc.csd.cc282q47
title: CCDC 2087978: Experimental Crystal Structure Determination

description: Related Article: Biao Cheng, Yu Chen, Peng Zhou, Zuowei Xie|2022|Chem.Commun.|58|629|doi:10.1039/D1CC05936J
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/ccdc.csd.cc282q69
title: CCDC 2087980: Experimental Crystal Structure Determination

description: Related Article: Biao Cheng, Yu Chen, Peng Zhou, Zuowei Xie|2022|Chem.Commun.|58|629|doi:10.1039/D1CC05936J
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/ccdc.csd.cc282q7b
title: CCDC 2087981: Experimental Crystal Structure Determination

description: Related Article: Biao Cheng, Yu Chen, Peng Zhou, Zuowei Xie|2022|Chem.Commun.|58|629|doi:10.1039/D1CC05936J
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/ccdc.csd.cc285l57
title: CCDC 2090738: Experimental Crystal Structure Determination

description: Related Article: Alexander V. Artem'ev, Yan V. Demyanov, Marianna I. Rakhmanova, Irina Yu. Bagryanskaya|2022|Dalton Trans.|51|1048|doi:10.1039/D1DT03759E
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/ccdc.csd.cc285l68
title: CCDC 2090739: Experimental Crystal Structure Determination

description: Related Article: Alexander V. Artem'ev, Yan V. Demyanov, Marianna I. Rakhmanova, Irina Yu. Bagryanskaya|2022|Dalton Trans.|51|1048|doi:10.1039/D1DT03759E
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/ccdc.csd.cc282q9d
title: CCDC 2087983: Experimental Crystal Structure Determination

description: Related Article: Biao Cheng, Yu Chen, Peng Zhou, Zuowei Xie|2022|Chem.Commun.|58|629|doi:10.1039/D1CC05936J
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/ccdc.csd.cc28kpxg
title: CCDC 2102386: Experimental Crystal Structure Determination

description: Related Article: Shu-Pei Yuan, Pei-Hao Dou, Yun-Qing Jia, Jian-Qiang Zhao, Yong You, Zhen-Hua Wang, Ming-Qiang Zhou, Wei-Cheng Yuan|2022|Chem.Commun.|58|553|doi:10.1039/D1CC06357J
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/ccdc.csd.cc28kpzj
title: CCDC 2102388: Experimental Crystal Structure Determination

description: Related Article: Shu-Pei Yuan, Pei-Hao Dou, Yun-Qing Jia, Jian-Qiang Zhao, Yong You, Zhen-Hua Wang, Ming-Qiang Zhou, Wei-Cheng Yuan|2022|Chem.Commun.|58|553|doi:10.1039/D1CC06357J
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/ccdc.csd.cc28plh2
title: CCDC 2106124: Experimental Crystal Structure Determination

description: Related Article: Isabel García-Santos, Alfonso Castiñeiras, Ghodrat Mahmoudi, Maria G. Babashkina, Ennio Zangrando, Rosa M. Gomila, Antonio Frontera, Damir A. Safin|2022|CrystEngComm|24|368|doi:10.1039/D1CE01251G
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/ccdc.csd.cc28plj3
title: CCDC 2106125: Experimental Crystal Structure Determination

description: Related Article: Isabel García-Santos, Alfonso Castiñeiras, Ghodrat Mahmoudi, Maria G. Babashkina, Ennio Zangrando, Rosa M. Gomila, Antonio Frontera, Damir A. Safin|2022|CrystEngComm|24|368|doi:10.1039/D1CE01251G
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/ccdc.csd.cc28plk4
title: CCDC 2106126: Experimental Crystal Structure Determination

description: Related Article: Isabel García-Santos, Alfonso Castiñeiras, Ghodrat Mahmoudi, Maria G. Babashkina, Ennio Zangrando, Rosa M. Gomila, Antonio Frontera, Damir A. Safin|2022|CrystEngComm|24|368|doi:10.1039/D1CE01251G
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/ccdc.csd.cc28pll5
title: CCDC 2106127: Experimental Crystal Structure Determination

description: Related Article: Isabel García-Santos, Alfonso Castiñeiras, Ghodrat Mahmoudi, Maria G. Babashkina, Ennio Zangrando, Rosa M. Gomila, Antonio Frontera, Damir A. Safin|2022|CrystEngComm|24|368|doi:10.1039/D1CE01251G
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/ccdc.csd.cc28w52f
title: CCDC 2111474: Experimental Crystal Structure Determination

description: Related Article: Shu-Pei Yuan, Pei-Hao Dou, Yun-Qing Jia, Jian-Qiang Zhao, Yong You, Zhen-Hua Wang, Ming-Qiang Zhou, Wei-Cheng Yuan|2022|Chem.Commun.|58|553|doi:10.1039/D1CC06357J
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/ccdc.csd.cc28y0js
title: CCDC 2113255: Experimental Crystal Structure Determination

description: Related Article: Shu-Pei Yuan, Pei-Hao Dou, Yun-Qing Jia, Jian-Qiang Zhao, Yong You, Zhen-Hua Wang, Ming-Qiang Zhou, Wei-Cheng Yuan|2022|Chem.Commun.|58|553|doi:10.1039/D1CC06357J
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/ccdc.csd.cc291stz
title: CCDC 2116891: Experimental Crystal Structure Determination

description: Related Article: Mger A. Navasardyan, Stanislav I. Bezzubov, Alexander G. Medvedev, Petr V. Prikhodchenko, Andrei V. Churakov|2022|CrystEngComm|24|38|doi:10.1039/D1CE01476E
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/ccdc.csd.cc291sw1
title: CCDC 2116893: Experimental Crystal Structure Determination

description: Related Article: Mger A. Navasardyan, Stanislav I. Bezzubov, Alexander G. Medvedev, Petr V. Prikhodchenko, Andrei V. Churakov|2022|CrystEngComm|24|38|doi:10.1039/D1CE01476E
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/ccdc.csd.cc291sx2
title: CCDC 2116894: Experimental Crystal Structure Determination

description: Related Article: Mger A. Navasardyan, Stanislav I. Bezzubov, Alexander G. Medvedev, Petr V. Prikhodchenko, Andrei V. Churakov|2022|CrystEngComm|24|38|doi:10.1039/D1CE01476E
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/ccdc.csd.cc28rddv
title: CCDC 2107857: Experimental Crystal Structure Determination

description: Related Article: Hangcheng Ni, Zhenpin Lu, Zuowei Xie|2022|Dalton Trans.|51|104|doi:10.1039/D1DT03726A
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/ccdc.csd.cc28rdfw
title: CCDC 2107858: Experimental Crystal Structure Determination

description: Related Article: Hangcheng Ni, Zhenpin Lu, Zuowei Xie|2022|Dalton Trans.|51|104|doi:10.1039/D1DT03726A
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/ccdc.csd.cc28rdgx
title: CCDC 2107859: Experimental Crystal Structure Determination

description: Related Article: Hangcheng Ni, Zhenpin Lu, Zuowei Xie|2022|Dalton Trans.|51|104|doi:10.1039/D1DT03726A
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/ccdc.csd.cc28b5ld
title: CCDC 2095153: Experimental Crystal Structure Determination

description: Related Article: Alexander V. Artem'ev, Yan V. Demyanov, Marianna I. Rakhmanova, Irina Yu. Bagryanskaya|2022|Dalton Trans.|51|1048|doi:10.1039/D1DT03759E
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/ccdc.csd.cc28rdct
title: CCDC 2107856: Experimental Crystal Structure Determination

description: Related Article: Hangcheng Ni, Zhenpin Lu, Zuowei Xie|2022|Dalton Trans.|51|104|doi:10.1039/D1DT03726A
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/ccdc.csd.cc299hkp
title: CCDC 2124292: Experimental Crystal Structure Determination

description: Related Article: Ye Bai, Mei-li Zhang, Bo-Tao Wang, Yi-Xia Ren, Yu-Chao Zhao, Hua Yang, Xiaogang Yang|2022|CrystEngComm|24|169|doi:10.1039/D1CE01261D
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/ccdc.csd.cc299hlq
title: CCDC 2124293: Experimental Crystal Structure Determination

description: Related Article: Ye Bai, Mei-li Zhang, Bo-Tao Wang, Yi-Xia Ren, Yu-Chao Zhao, Hua Yang, Xiaogang Yang|2022|CrystEngComm|24|169|doi:10.1039/D1CE01261D
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/ccdc.csd.cc299hmr
title: CCDC 2124294: Experimental Crystal Structure Determination

description: Related Article: Ye Bai, Mei-li Zhang, Bo-Tao Wang, Yi-Xia Ren, Yu-Chao Zhao, Hua Yang, Xiaogang Yang|2022|CrystEngComm|24|169|doi:10.1039/D1CE01261D
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/ccdc.csd.cc285l46
title: CCDC 2090737: Experimental Crystal Structure Determination

description: Related Article: Alexander V. Artem'ev, Yan V. Demyanov, Marianna I. Rakhmanova, Irina Yu. Bagryanskaya|2022|Dalton Trans.|51|1048|doi:10.1039/D1DT03759E
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/ccdc.csd.cc299hns
title: CCDC 2124295: Experimental Crystal Structure Determination

description: Related Article: Ye Bai, Mei-li Zhang, Bo-Tao Wang, Yi-Xia Ren, Yu-Chao Zhao, Hua Yang, Xiaogang Yang|2022|CrystEngComm|24|169|doi:10.1039/D1CE01261D
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: 10.5281/zenodo.7334332
title: Experimental investigation on hydrogen-rich fuel mixtures (H2/CH4/CO) doped with C6H6 in a 20 kW semi-industrial scale furnace

description: The effects of benzene doping H2-rich fuel mixtures have been investigated in a semi-industrial furnace integrated with a recuperative burner of 20 kW of nominal power. The tested fuels consist of an H2/ CH4/CO blend, doped with a progressive addition of C6H6 (up to 5% v/v). This fuel blend represents a surrogate of a more complex Coke Oven Gas (COG) industrial mixture, an attractive by-product of coal carbonization. The relative ratios of H<sub>2</sub>, CH<sub>4,</sub> and CO correspond to the ones of a typical COG mixture. The emissions, along with the OH* and CH* chemiluminescence emissions and the flame temperatures were monitored under a wide range of equivalence ratios, i.e. Φ=0.71, 0.80, 0.91, 1.00, 1.05, 1.10, 1.20. The thermal input was kept constant at 20 kW for all the investigated cases, hence the flow rate of the fuel was decreased when C<sub>6</sub>H<sub>6</sub> was added to the reference mixture due to the increase of the lower calorific value. The exhaust gas composition was monitored by means of a Fourier Transform Infrared Spectroscopy (FTIR) analyzer from HORIBA® (HORIBA MEXA-ONE), equipped with a paramagnetic analyzer (MPA) for O2 measurements. On the other hand, OH* and CH* chemiluminescence imaging was carried out by means of an IRO (Intensified Relay Optics) and a CCD (Charge-Coupled Device) camera 1.4 M (La Vision 1392 x 1040 pixels) coupled with UV 78mm f/3.8 lens and two interferential filters to collect the chemiluminescence emitted by OH* (310 ± 10 nm) and CH* (438 ± 24 nm). Finally, in-situ flame temperature measurements were also performed by using an air-cooled suction pyrometer probe equipped with a B-type thermocouple.
DOI: 10.5281/zenodo.7463059
title: Experimental investigation on hydrogen-rich fuel mixtures (H2/CH4/CO) doped with C6H6 in a 20 kW semi-industrial scale furnace

description: The effects of benzene doping H2-rich fuel mixtures have been investigated in a semi-industrial furnace integrated with a recuperative burner of 20 kW of nominal power. The tested fuels consist of an H2/ CH4/CO blend, doped with a progressive addition of C6H6 (up to 5% v/v). This fuel blend represents a surrogate of a more complex Coke Oven Gas (COG) industrial mixture, an attractive by-product of coal carbonization. The relative ratios of H<sub>2</sub>, CH<sub>4,</sub> and CO correspond to the ones of a typical COG mixture. The emissions, along with the OH* and CH* chemiluminescence emissions and the flame temperatures were monitored under a wide range of equivalence ratios, i.e. Φ=0.71, 0.80, 0.91, 1.00, 1.05, 1.10, 1.20. The thermal input was kept constant at 20 kW for all the investigated cases, hence the flow rate of the fuel was decreased when C<sub>6</sub>H<sub>6</sub> was added to the reference mixture due to the increase of the lower calorific value. The exhaust gas composition was monitored by means of a Fourier Transform Infrared Spectroscopy (FTIR) analyzer from HORIBA® (HORIBA MEXA-ONE), equipped with a paramagnetic analyzer (MPA) for O2 measurements. On the other hand, OH* and CH* chemiluminescence imaging was carried out by means of an IRO (Intensified Relay Optics) and a CCD (Charge-Coupled Device) camera 1.4 M (La Vision 1392 x 1040 pixels) coupled with UV 78mm f/3.8 lens and two interferential filters to collect the chemiluminescence emitted by OH* (310 ± 10 nm) and CH* (438 ± 24 nm). Finally, in-situ flame temperature measurements were also performed by using an air-cooled suction pyrometer probe equipped with a B-type thermocouple.