Crystallography Open Database

Information card for entry 7703400

Preview

Coordinates	7703400.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H31 B2 Co F8 N7 O0
Calculated formula	C31 H31 B2 Co F8 N7
Title of publication	A capped trigonal prismatic cobalt(ii) complex as a structural archetype for single-ion magnets.
Authors of publication	Yi, Gangji; Cui, Huihui; Zhang, Chunyang; Zhao, Wen; Chen, Lei; Zhang, Yi-Quan; Chen, Xue-Tai; Song, You; Yuan, Aihua
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	7
Pages of publication	2063 - 2067
a	11.207 ± 0.0003 Å
b	12.5604 ± 0.0004 Å
c	13.5908 ± 0.0004 Å
α	71.015 ± 0.002°
β	67.784 ± 0.002°
γ	70.936 ± 0.002°
Cell volume	1628.81 ± 0.09 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.063
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.1012
Weighted residual factors for all reflections included in the refinement	0.1144
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
248958 (current)	2020-03-05	cif/ Updating files of 7703400, 7703401 Original log message: Adding full bibliography for 7703400--7703401.cif.	7703400.cif
247369	2020-01-30	cif/ Adding structures of 7703400, 7703401 via cif-deposit CGI script.	7703400.cif