Crystallography Open Database

Information card for entry 7714650

Preview

Coordinates	7714650.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H29 B Cl0.31 Co I0.69 N9 O3
Calculated formula	C27 H29 B Cl0.31 Co I0.69 N9 O3
Title of publication	Effects of solvatomorphism, the nature of a chelating ligand synthon and a counterion on the single crystal XRD structure and SMM properties of paramagnetic monocapped cobalt(II) tris-pyrazoloximates.
Authors of publication	Belova, Svetlana A.; Belov, Alexander S.; Danshina, Anastasia A.; Zubavichus, Yan V.; Aleshin, Dmitriy Yu; Pavlov, Alexander A.; Efimov, Nikolay N.; Voloshin, Yan Z.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	4
Pages of publication	1482 - 1491
a	8.2151 ± 0.0006 Å
b	13.4093 ± 0.001 Å
c	14.4049 ± 0.001 Å
α	87.978 ± 0.002°
β	74.903 ± 0.002°
γ	75.46 ± 0.002°
Cell volume	1482.22 ± 0.19 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0652
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.0828
Weighted residual factors for all reflections included in the refinement	0.0922
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
289512 (current)	2024-02-04	cif/ Updating files of 7714650, 7714651, 7714652, 7714653, 7714654, 7714655, 7714656, 7714657, 7714658 Original log message: Adding full bibliography for 7714650--7714658.cif.	7714650.cif
288174	2023-12-08	cif/ Adding structures of 7714650, 7714651, 7714652, 7714653, 7714654, 7714655, 7714656, 7714657, 7714658 via cif-deposit CGI script.	7714650.cif