cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.7467034
title: Padeřov-Bible-handwriting-ground-truth: Initial release

description: This is ground truth based on the Padeřov Bible (Vienna, Austrian National Library, shelfmark Cod. 1175, 1432–1435), the bible of the third redaction of the Old Czech Bible translation. The transcription rules were based on semi-diplomatic transcription rules set by PERO OCR and <em>Směrnice pro vydávání starších českých textů </em>by Jiří Daňhelka (https://vokabular.ujc.cas.cz/moduly/edicnipoznamka.aspx?id=DanhelkaSmernice). Abbreviations were tagged and expanded. Ground truth was created specifically by Anna Michalcová (Czech Academy of Sciences, Czech Language Institute, final check of the transcribed text with the use of her model trained on the Cistercian Bible, New York, The Morgan Library & Museum, shelfmark MS M.752, a.michalcova@ujc.cas.cz), Kamil Bazelides (Comenius University in Bratislava, Faculty of Arts, 4r–8v), Jan Hajič (Czech Academy of Sciences, Masaryk Institute and Archives, 194v–199r), Eliška Pěnkavová (the University of South Bohemia in České Budějovice, Faculty of Arts, 199v–204r), Laura Maniaková (Masaryk University in Brno, Faculty of Arts, 204v–209r), Hana Kreisingerová (Czech Academy of Sciences, Czech Language Institute, 227v–229r), Jitka Filipová (Czech Academy of Sciences, Czech Language Institute, 355r–359v), Chi-hung Lu (Eötvös Loránd University, Faculty of Humanities, 366r–370v) and Martina Dvořáková (Moravian library in Brno, 373r–373v). Produced within the HTR Winter School 2022.
DOI: 10.5066/p9kdobm2
title: Sagebrush (Artemisia spp.) scale of effect for Greater Sage-grouse (Centrocercus urophasianus) population trends in southwest Wyoming, USA 2003-2019

description: The distance within which populations respond to features in a landscape (scale of effect) can indicate how disturbance and management may affect wildlife. Using annual counts of male Greater Sage-grouse (Centrocercus urophasianus) attending 584 leks in southwest Wyoming (2003-2019) and estimates of sagebrush cover from the Rangeland Condition Monitoring Assessment and Projection (RCMAP), we used a scale selection approach to jointly estimate the scale of effect and the effect of sagebrush cover in the surrounding landscape for sage-grouse population trends. We estimated these parameters using a state-space model fit with a Bayesian approach. Data formatting necessary for this analysis produced data stored in two lists, one for model constants (nimbleconstants_sg_wlci.txt, including number of years, number of sites [leks], number of scales, number of visits, indicators for site and year, and number of detection parameters) and one for model data (nimbledata_sg_wlci.txt, including lek counts/surveys in both long- and array-format, a matrix for detection covariates, an array for sagebrush cover [scaled], and unscaled arrays for sagebrush, ordinal date, and time since sunrise).
DOI: 10.5517/ccdc.csd.cc29gzlc
title: CCDC 2129563: Experimental Crystal Structure Determination

description: Related Article: Naushad Ahmed, Kamal Uddin Ansari|2022|Dalton Trans.|51|8766|doi:10.1039/D2DT00926A
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.cc2dcgnx
title: CCDC 2215559: Experimental Crystal Structure Determination

description: Related Article: Mu-Peng Luo, Yi-Jie Gu, Shou-Guo Wang|2023|Chemical Science|14|251|doi:10.1039/D2SC05313F
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.7503518
title: Supporting input files for "GB1 Dimerization in Crowders: A Multiple Resolution Approach"

description: All necessary input files to run coarse-grained Martini and Readdy simulations are provided.
DOI: 10.5281/zenodo.7503519
title: Supporting input files for "GB1 Dimerization in Crowders: A Multiple Resolution Approach"

description: All necessary input files to run coarse-grained Martini and Readdy simulations are provided.
DOI: 10.5281/zenodo.7504311
title: Benchmarking the Autoencoder Design for Imputing Single-Cell RNA Sequencing Data

description: This repository contains the real and synthetic datasets used in the paper "Benchmarking the Autoencoder Design for Imputing Single-Cell RNA Sequencing Data". The zip file includes three folders: 1. overall imputation accuracy: the 12 real scRNA-seq datasets used in the evaluation of overall imputation accuracy. 2. cell clustering: the 20 real scRNA-seq datasets with cell type labels used in the evaluation of cell clustering. 3. DE gene: the 20 scRNA-seq syntehtic datasets with ground-truth DE genes used in the evaluation of DE gene analysis. These datasets are simulated by simulator scDesign and 20 real datasets.
DOI: 10.5281/zenodo.7504310
title: Benchmarking the Autoencoder Design for Imputing Single-Cell RNA Sequencing Data

description: This repository contains the real and synthetic datasets used in the paper "Benchmarking the Autoencoder Design for Imputing Single-Cell RNA Sequencing Data". The zip file includes three folders: 1. overall imputation accuracy: the 12 real scRNA-seq datasets used in the evaluation of overall imputation accuracy. 2. cell clustering: the 20 real scRNA-seq datasets with cell type labels used in the evaluation of cell clustering. 3. DE gene: the 20 scRNA-seq syntehtic datasets with ground-truth DE genes used in the evaluation of DE gene analysis. These datasets are simulated by simulator scDesign and 20 real datasets.
DOI: 10.5066/p9ahpo0h
title: Model predictions for heterogeneous stream-reservoir graph networks with data assimilation

description: This data release provides the predictions from stream temperature models described in Chen et al. 2021. Briefly, various deep learning and process-guided deep learning models were built to test improved performance of stream temperature predictions below reservoirs in the Delaware River Basin. The spatial extent of predictions was restricted to streams above the Delaware River at Lordville, NY, and includes the West Branch of the Delaware River below Cannonsville Reservoir and the East Branch of the Delaware River below Pepacton Reservoir. Various model architectures, training schemes, and data assimilation methods were used to generate the table and figures in Chen et a.l (2021) and predictions of each model are captured in this release. For each model, there are test period predictions for 56 river reaches from 2006-10-01 through 2020-09-30. Model input and validation data can be found in Oliver et al. (2021). The publication associated with this data release is Chen, S., Appling, A.P., Oliver, S.K., Corson-Dosch, H.R., Read, J.S., Sadler, J.M., Zwart, J.A., Jia, X, 2021, Heterogeneous stream-reservoir graph networks with data assimilation. International Conference on Data Mining (ICDM). DOI: XX.
DOI: 10.6073/pasta/1fbe1f7ee883291048a3743c77b0e530
title: SBC LTER: Ocean: Ocean hourly temperature at nearshore locations along the Northern Channel Islands in the Santa Barbara Channel, ongoing since 2000

description: Ocean in-situ temperature data were collected at nearshore sites along the Northern Channel Islands in the Santa Barbara Channel. The earliest temperature records started in April 2000. The temporal coverage varies at each site. At the start of the temperature data collection, the tidbit or hobo sensors were deployed on a mooring line at approximate 3 m, 9m, and 14 m nominal depths, and the sampling interval is 2 minutes. In 2013, the 3 m and 9 m temperature sensors were terminated and only 14 m sensors continued. In addition, the sampling interval changed to 15 minutes. This data package presents hourly average in-situ temperature data. The original raw data (2-min interval) between 2000-2010 were published on DataOne https://search.dataone.org/portals/PISCO. Data can be viewed and accessed by zooming in the Northern Channel Islands in the Santa Barbara Channel region and searching the keyword "physical oceanography moored temperature data". These datasets were funded and managed by The Partnership for Interdisciplinary Studies of Coastal Oceans (PISCO). In 2013, the maintenance of the sensor deployment was transferred to NOAA National Marine Sanctuaries and Santa Barbara Coastal LTER has been responsible for data download and processing.
DOI: 10.5281/zenodo.7144307
title: ALERT Doctoral School 2022: Data for photoelasticity lesson

description: Data used for the two-hour photoelasticity lesson on September 29, 2022 at the 2022 ALERT Doctoral School in Aussois, France. In the Data directory, you will find the PEGS-master, PhotoelasticDisks, and Results subdirectories. You will also find the Jupyter notebook ALERTPhotoelasticity_220929_v1.ipynb. Photoelasticity data is in the PhotoelasticDisks subdirectory. N_Image and P_Image contain a sequence of images of 511 bidisperse birefringent disks in simple shear as viewed with unpolarized light and polarized light, respectively. The Positions subdirectory contains the position and radii of the disks in disks in each image. The G2images and radii_highlighted subdirectories contain, respectively: (1) images of each particle colored by G^2 as computed from the photoelasticity images via methods described in (Daniels, et al., Review of Scientific Instruments, 88, 051808 (2017)); (2) images of deformation of the particle with the outlines of each particle highlighted. Computations are performed in the accompanying ALERTPhotoelasticity_220929_v1.ipynb Jupyter notebook, which may be opened on any computer supporting jupyter notebooks or through Google Colab. Within PEGS-master, you can open PeGSDiskSolve.m to solve for inter-particle forces using methods described in Sec. V of (Daniels, et al., Review of Scientific Instruments, 88, 051808 (2017)) and in the thesis of James Puckett (thesis titled "State Variables in Granular Materials: an Investigation of Volume and Stress Fluctuations" and completed at North Carolina State University in 2012). You can also find a script titled "PlotExpVsSynth.m" that compares results from G^2 calculations; results are put into the Results subdirectory. Paths may need to be changed in all scripts. Related content from the doctoral school can be found here: https://github.com/alert-geomaterials/2022-doctoral-school.
DOI: 10.5281/zenodo.7144306
title: ALERT Doctoral School 2022: Data for photoelasticity lesson

description: Data used for the two-hour photoelasticity lesson on September 29, 2022 at the 2022 ALERT Doctoral School in Aussois, France. In the Data directory, you will find the PEGS-master, PhotoelasticDisks, and Results subdirectories. You will also find the Jupyter notebook ALERTPhotoelasticity_220929_v1.ipynb. Photoelasticity data is in the PhotoelasticDisks subdirectory. N_Image and P_Image contain a sequence of images of 511 bidisperse birefringent disks in simple shear as viewed with unpolarized light and polarized light, respectively. The Positions subdirectory contains the position and radii of the disks in disks in each image. The G2images and radii_highlighted subdirectories contain, respectively: (1) images of each particle colored by G^2 as computed from the photoelasticity images via methods described in (Daniels, et al., Review of Scientific Instruments, 88, 051808 (2017)); (2) images of deformation of the particle with the outlines of each particle highlighted. Computations are performed in the accompanying ALERTPhotoelasticity_220929_v1.ipynb Jupyter notebook, which may be opened on any computer supporting jupyter notebooks or through Google Colab. Within PEGS-master, you can open PeGSDiskSolve.m to solve for inter-particle forces using methods described in Sec. V of (Daniels, et al., Review of Scientific Instruments, 88, 051808 (2017)) and in the thesis of James Puckett (thesis titled "State Variables in Granular Materials: an Investigation of Volume and Stress Fluctuations" and completed at North Carolina State University in 2012). You can also find a script titled "PlotExpVsSynth.m" that compares results from G^2 calculations; results are put into the Results subdirectory. Paths may need to be changed in all scripts. Related content from the doctoral school can be found here: https://github.com/alert-geomaterials/2022-doctoral-school.
DOI: 10.6073/pasta/2992dc076d1c4568afbaa68dcbbaf7dc
title: Temperature, floral density, and Osmia pollen usage data from seven study sites around the Rocky Mountain Biological Laboratory, Colorado: 2013-2022

description: Data were collected as part of a study of population dynamics of solitary, cavity-nesting Hymenoptera. Nesting structures ("trap-nests") were established at five study sites along an elevational gradient around the Rocky Mountain Biological Laboratory in 2013. Two additional study sites were added in 2014, and one of the original study sites was dropped at the end of 2015. At each site, a HOBO data-logger placed under a centrally located trap-nest records air temperatures hourly. Floral densities are recorded at each site, typically 1-2 times per week, throughout the growing season, for specific plant taxa known to be used as pollen sources by cavity-nesting bees. In addition, pollen samples are taken from the nests of cavity-nesting bees and the constituent plant taxa identified by microscopic comparison with a reference pollen collection from the study area.
DOI: 10.14272/lrplbhmnpskbiq-uhfffaoysa-m/chmo0000595.1
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (chlorogold;diphenyl-[11-(4-pyridin-2-ylphenyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phosphane)
title: InChI=1S/C39H32NP.Au.ClH/c1-3-9-35(10-4-1)41(36-11-5-2-6-12-36)39-28-30-15-19-31-18-14-29(16-20-34(39)21-17-30)27-37(31)32-22-24-33(25-23-32)38-13-7-8-26-40-38;;/h1-14,17-18,21-28H,15-16,19-20H2;;1H/q;+1;/p-1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (126 MHz, CDCl3, ppm) δ = 155.5 (Cq, CAr), 147.3 (+, CH, CAr), 144.31 (d, J = 10.0 Hz, Cq, CAr), 142.2 (Cq, CAr), 140.54 (d, J = 10.3 Hz, Cq, CAr), 140.3 (Cq, CAr), 139.9 (Cq, CAr), 139.7 (Cq, CAr), 137.6 (+, CH, CAr), 137.09 (+, d, J = 2.8 Hz, CH, CAr), 136.27 (+, CH, CAr), 136.15 (+, CH, CAr), 136.06 (+, CH, CAr), 135.80 (+, CH, CAr), 134.98 (+, CH, CAr), 133.72 (d, J = 13.9 Hz, CH, CAr), 133.6 (+, CH, CAr), 132.37 (+, CH, CAr), 131.9 (+, CH, CAr), 131.91 (d, J = 64.5 Hz, Cq, CAr), 130.7 (+, CH, CAr), 130.0 (+, 2C, CH, CAr), 129.49 (+, d, J = 12.0 Hz, 2C, CH, CAr), 129.16 (+, d, J = 12.3 Hz, 2C, CH, CAr), 128.73 (d, J = 63.8 Hz, Cq, CAr), 128.3 (+, CH, CAr), 127.6 (+, 2C, CH, CAr), 125.28 (d, J = 62.7 Hz, Cq, CAr), 123.09 (+, CH, CAr), 122.15 (+, CH, CAr), 117.49 (+, CH, CAr), 35.25 (–, CH2), 34.92 (–, d, J = 7.5 Hz, CH2), 34.30 (–, CH2), 33.50 (–, CH2).
DOI: 10.14272/lrplbhmnpskbiq-uhfffaoysa-m.3
title: C39H32AuClNP
title: InChI=1S/C39H32NP.Au.ClH/c1-3-9-35(10-4-1)41(36-11-5-2-6-12-36)39-28-30-15-19-31-18-14-29(16-20-34(39)21-17-30)27-37(31)32-22-24-33(25-23-32)38-13-7-8-26-40-38;;/h1-14,17-18,21-28H,15-16,19-20H2;;1H/q;+1;/p-1

description: This dataset contains experimental data from a sample (chlorogold;diphenyl-[11-(4-pyridin-2-ylphenyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phosphane, InChI=1S/C39H32NP.Au.ClH/c1-3-9-35(10-4-1)41(36-11-5-2-6-12-36)39-28-30-15-19-31-18-14-29(16-20-34(39)21-17-30)27-37(31)32-22-24-33(25-23-32)38-13-7-8-26-40-38;;/h1-14,17-18,21-28H,15-16,19-20H2;;1H/q;+1;/p-1). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) 31P nuclear magnetic resonance spectroscopy (31P NMR) infrared absorption spectroscopy (IR) electrospray ionisation quadrupole detection (ESI Q Trap)
DOI: 10.14272/lrplbhmnpskbiq-uhfffaoysa-m/chmo0000630.1
title: infrared absorption spectroscopy (IR) (chlorogold;diphenyl-[11-(4-pyridin-2-ylphenyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phosphane)
title: InChI=1S/C39H32NP.Au.ClH/c1-3-9-35(10-4-1)41(36-11-5-2-6-12-36)39-28-30-15-19-31-18-14-29(16-20-34(39)21-17-30)27-37(31)32-22-24-33(25-23-32)38-13-7-8-26-40-38;;/h1-14,17-18,21-28H,15-16,19-20H2;;1H/q;+1;/p-1

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, cm-1) ṽ = 3044 (w), 2922 (w), 2847 (w), 1732 (w), 1584 (m), 1572 (w), 1463 (m), 1434 (s), 1391 (w), 1309 (w), 1296 (w), 1239 (w), 1183 (w), 1154 (w), 1098 (m), 1043 (w), 915 (w), 897 (w), 849 (m), 783 (s), 741 (s), 721 (w), 708 (s), 691 (vs), 652 (s), 616 (w), 608 (w), 571 (vw), 550 (s), 511 (vs), 492 (vs), 467 (m), 452 (w), 443 (w), 439 (w), 425 (m), 418 (m), 401 (m), 390 (w), 382 (w).
DOI: 10.14272/lrplbhmnpskbiq-uhfffaoysa-m/chmo0000739.1
title: 31P nuclear magnetic resonance spectroscopy (31P NMR) (chlorogold;diphenyl-[11-(4-pyridin-2-ylphenyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phosphane)
title: InChI=1S/C39H32NP.Au.ClH/c1-3-9-35(10-4-1)41(36-11-5-2-6-12-36)39-28-30-15-19-31-18-14-29(16-20-34(39)21-17-30)27-37(31)32-22-24-33(25-23-32)38-13-7-8-26-40-38;;/h1-14,17-18,21-28H,15-16,19-20H2;;1H/q;+1;/p-1

description: dataset for 31P nuclear magnetic resonance spectroscopy (31P NMR) 31P NMR (202 MHz, CDCl3, ppm) δ = 32.04–31.28 (m).
DOI: 10.14272/lrplbhmnpskbiq-uhfffaoysa-m/chmo0000593.2
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (chlorogold;diphenyl-[11-(4-pyridin-2-ylphenyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phosphane)
title: InChI=1S/C39H32NP.Au.ClH/c1-3-9-35(10-4-1)41(36-11-5-2-6-12-36)39-28-30-15-19-31-18-14-29(16-20-34(39)21-17-30)27-37(31)32-22-24-33(25-23-32)38-13-7-8-26-40-38;;/h1-14,17-18,21-28H,15-16,19-20H2;;1H/q;+1;/p-1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = 8.70 (d, J = 4.4 Hz, 1H, HAr), 7.93 (d, J = 8.2 Hz, 3H, HAr), 7.83 (d, J = 7.9 Hz, 1H, HAr), 7.79–7.73 (m, 2H, HAr), 7.62–7.52 (m, 2H, HAr), 7.51–7.45 (m, 5H, HAr), 7.43 (s, 1H, HAr), 7.41–7.27 (m, 4H, HAr), 6.75 (d, J = 7.7 Hz, 1H, HAr), 6.69–6.61 (m, 3H, HAr), 6.13–6.06 (m, 1H, HAr), 3.91–3.71 (m, 1H, HPc), 3.54 (dd, J = 13.6, 9.3 Hz, 1H, HPc), 3.48–3.33 (m, 1H, HPc), 3.08 (t, J = 11.9 Hz, 1H, HPc), 2.93–2.77 (m, 2H, HPc), 2.76–2.64 (m, 1H, HPc), 2.09–1.87 (m, 1H, HPc).
DOI: 10.14272/lrplbhmnpskbiq-uhfffaoysa-m/chmo0002337.1
title: electrospray ionisation quadrupole detection (ESI Q Trap) (chlorogold;diphenyl-[11-(4-pyridin-2-ylphenyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phosphane)
title: InChI=1S/C39H32NP.Au.ClH/c1-3-9-35(10-4-1)41(36-11-5-2-6-12-36)39-28-30-15-19-31-18-14-29(16-20-34(39)21-17-30)27-37(31)32-22-24-33(25-23-32)38-13-7-8-26-40-38;;/h1-14,17-18,21-28H,15-16,19-20H2;;1H/q;+1;/p-1

description: dataset for electrospray ionisation quadrupole detection (ESI Q Trap) HRMS (ESI+, [M+H]+, C39H31AuClNP) calcd.: 778.1699; found: 778.1695.
DOI: 10.14272/nhktusupcakvht-uhfffaoysa-l/chmo0000630
title: infrared absorption spectroscopy (IR) (dichlororuthenium;2-pyridin-2-ylpyridine;dihydrate)
title: InChI=1S/2C10H8N2.2ClH.2H2O.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;/h2*1-8H;2*1H;2*1H2;/q;;;;;;+2/p-2

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3509 (w), 3489 (w), 3482 (w), 3466 (w), 3448 (w), 3438 (w), 3428 (w), 3408 (w), 3398 (w), 1619 (w), 1596 (w), 1456 (m), 1441 (m), 1417 (s), 1305 (w), 1258 (m), 1241 (w), 1154 (w), 1122 (w), 1017 (m), 1006 (w), 973 (w), 962 (w), 880 (w), 802 (w), 759 (vs), 724 (s), 656 (m), 646 (m), 496 (w), 486 (m), 476 (w), 424 (s), 398 (m), 388 (m) cm–1.
DOI: 10.14272/nhktusupcakvht-uhfffaoysa-l/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (dichlororuthenium;2-pyridin-2-ylpyridine;dihydrate)
title: InChI=1S/2C10H8N2.2ClH.2H2O.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;/h2*1-8H;2*1H;2*1H2;/q;;;;;;+2/p-2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (126 MHz, DMSO-d6, ppm) δ = 160.2 (2C, Cq, CAr), 158.2 (2C, Cq, CAr), 153.2 (+, 2C, CH, CAr), 152.0 (+, 2C, CH, CAr), 134.5 (+, 2C, CH, CAr), 133.3 (+, 2C, CH, CAr), 125.3 (+, 2C, CH, CAr), 125.3 (+, 2C, CH, CAr), 122.8 (+, 2C, CH, CAr), 122.5 (+, 2C, CH, CAr).
DOI: 10.14272/nhktusupcakvht-uhfffaoysa-l/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) (dichlororuthenium;2-pyridin-2-ylpyridine;dihydrate)
title: InChI=1S/2C10H8N2.2ClH.2H2O.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;/h2*1-8H;2*1H;2*1H2;/q;;;;;;+2/p-2

description: dataset for fast-atom bombardment mass spectrometry (FABMS) MS (FAB, 3-NBA, %) m/z = 484 (46) [M]+, 449 (43) [M–Cl]+, 257 (37) [C20H17N4Ru]+.HRMS (FAB, [M]+, C20H1635Cl2N4Ru) calcd.: 483.9795; found: 483.9794.
DOI: 10.14272/nhktusupcakvht-uhfffaoysa-l/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (dichlororuthenium;2-pyridin-2-ylpyridine;dihydrate)
title: InChI=1S/2C10H8N2.2ClH.2H2O.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;/h2*1-8H;2*1H;2*1H2;/q;;;;;;+2/p-2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, DMSO-d6, ppm) δ = 9.97 (dd, J = 5.7, 1.6 Hz, 2H, HAr), 8.64 (d, J = 8.1 Hz, 2H, HAr), 8.48 (d, J = 7.7 Hz, 2H, HAr), 8.06 (td, J = 7.8, 1.6 Hz, 2H, HAr), 7.77 (ddd, J = 7.3, 5.6, 1.3 Hz, 2H, HAr), 7.67 (td, J = 7.8, 1.5 Hz, 2H, HAr), 7.51 (d, J = 5.0 Hz, 2H, HAr), 7.10 (ddd, J = 7.4, 5.8, 1.4 Hz, 2H, HAr), 3.33 (s, 4H, H2O).
DOI: 10.14272/nhktusupcakvht-uhfffaoysa-l/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (dichlororuthenium;2-pyridin-2-ylpyridine;dihydrate)
title: InChI=1S/2C10H8N2.2ClH.2H2O.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;/h2*1-8H;2*1H;2*1H2;/q;;;;;;+2/p-2

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/nhktusupcakvht-uhfffaoysa-l.1
title: dichlororuthenium;2-pyridin-2-ylpyridine;dihydrate
title: InChI=1S/2C10H8N2.2ClH.2H2O.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;/h2*1-8H;2*1H;2*1H2;/q;;;;;;+2/p-2

description: This dataset contains experimental data from a sample (dichlororuthenium;2-pyridin-2-ylpyridine;dihydrate, InChI=1S/2C10H8N2.2ClH.2H2O.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;/h2*1-8H;2*1H;2*1H2;/q;;;;;;+2/p-2). The datasets from the following experiments are available: infrared absorption spectroscopy (IR) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) fast-atom bombardment mass spectrometry (FABMS) distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/vswkzjyvjraepl-uhfffaoysa-n/chmo0002337
title: electrospray ionisation quadrupole detection (ESI Q Trap) ()
title: InChI=1S/C39H32NOP/c41-42(35-9-3-1-4-10-35,36-11-5-2-6-12-36)39-28-30-15-14-29-16-18-31(22-25-34(39)19-17-30)37(27-29)32-20-23-33(24-21-32)38-13-7-8-26-40-38/h1-13,16-21,23-24,26-28H,14-15,22,25H2

description: dataset for electrospray ionisation quadrupole detection (ESI Q Trap) HRMS (ESI+, [M+H]+, C39H33NOP) calcd.: 562. 2294; found: 562.2283.