Crystallography Open Database

Information card for entry 7712373

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Coordinates	7712373.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H29 B Br Cl3 Co N6 O7
Calculated formula	C29 H29 B Br Cl3 Co N6 O7
Title of publication	Synthesis, X-ray structure and magnetic properties of the apically functionalized monocapped cobalt(II) tris-pyridineoximates possessing SMM behaviour.
Authors of publication	Belov, Alexander S.; Belova, Svetlana A.; Efimov, Nikolay N.; Zlobina, Veronika V.; Novikov, Valentin V.; Nelyubina, Yulya V.; Zubavichus, Yan V.; Voloshin, Yan Z.; Pavlov, Alexander A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
a	8.8994 ± 0.0018 Å
b	24.847 ± 0.005 Å
c	15.741 ± 0.003 Å
α	90°
β	98.36 ± 0.03°
γ	90°
Cell volume	3443.7 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1625
Residual factor for significantly intense reflections	0.0909
Weighted residual factors for significantly intense reflections	0.1937
Weighted residual factors for all reflections included in the refinement	0.2322
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.9699 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
281102 (current)	2023-02-23	cif/ Adding structures of 7712371, 7712372, 7712373 via cif-deposit CGI script.	7712373.cif