Crystallography Open Database

Information card for entry 7056326

Preview

Coordinates	7056326.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H20 Cl Co N10 O10 S
Calculated formula	C22 H20 Cl Co N10 O10 S
Title of publication	Metal(II)-assisted hydrolysis of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (tpymt): synthesis, crystal structure and magnetic properties of [Co(bpcam)2]ClO4 . dmso . H2O, [Co(bpcam)2]2[Co(NCS)4] . dmso . H2O and [Ni(bpcam)2] . H2O [Hbpcam = bis(2-pyrimidylcarbonyl)amide]
Authors of publication	Rabelo, Renato; Valdo, Ana Karoline Silva Medanha; Robertson, Craig C.; Thomas, Jim; Stumpf, Humberto Osório; Martins, Felipe Terra; Pedroso, Emerson F.; Julve, Miguel; Lloret, Francesc; Cangussu, Danielle
Journal of publication	New J. Chem.
Year of publication	2017
Journal volume	41
Journal issue	14
Pages of publication	6911 - 6921
a	10.1227 ± 0.0002 Å
b	22.0252 ± 0.0006 Å
c	12.4721 ± 0.0003 Å
α	90°
β	94.198 ± 0.001°
γ	90°
Cell volume	2773.25 ± 0.11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0529
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.1042
Weighted residual factors for all reflections included in the refinement	0.1117
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301442 (current)	2025-08-04	Updating journal pages, volumes and years from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	7056326.cif
197796	2017-06-14	cif/ Adding structures of 7056325, 7056326, 7056327 via cif-deposit CGI script.	7056326.cif