Crystallography Open Database

Information card for entry 7707647

Preview

Coordinates	7707647.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H83 B2 Fe3 N23 O4
Calculated formula	C64 H83 B2 Fe3 N23 O4
Title of publication	Spin and valence isomerism in cyanide-bridged {FeM<sup>II</sup>} (M = Fe and Co) clusters.
Authors of publication	Zhao, Xin-Hua; Shao, Dong; Chen, Jia-Tao; Liu, Min; Li, Tao; Yang, Jiong; Zhang, Yuan-Zhu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	28
Pages of publication	9768 - 9774
a	23.217 ± 0.003 Å
b	22.152 ± 0.002 Å
c	15.8654 ± 0.0018 Å
α	90°
β	113.617 ± 0.004°
γ	90°
Cell volume	7476.2 ± 1.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1098
Residual factor for significantly intense reflections	0.075
Weighted residual factors for significantly intense reflections	0.2101
Weighted residual factors for all reflections included in the refinement	0.2518
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
268710 (current)	2021-09-06	cif/ Updating files of 7707647, 7707648, 7707649, 7707650 Original log message: Adding full bibliography for 7707647--7707650.cif.	7707647.cif
266382	2021-06-11	cif/ Adding structures of 7707647, 7707648, 7707649, 7707650 via cif-deposit CGI script.	7707647.cif