Crystallography Open Database

Information card for entry 7703401

Preview

Coordinates	7703401.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H31 Cl2 Fe N7 O8
Calculated formula	C31 H31 Cl2 Fe N7 O8
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	11.5246 ± 0.0008 Å
b	12.2303 ± 0.0009 Å
c	14.0274 ± 0.0011 Å
α	111.348 ± 0.004°
β	97.401 ± 0.004°
γ	111.538 ± 0.004°
Cell volume	1632.4 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0852
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1601
Weighted residual factors for all reflections included in the refinement	0.1985
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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.	7703401.cif
247369	2020-01-30	cif/ Adding structures of 7703400, 7703401 via cif-deposit CGI script.	7703401.cif