Crystallography Open Database

Information card for entry 7249670

Preview

Coordinates	7249670.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H59 B2 Co Fe2 N25 O9
Calculated formula	C43 H59 B2 Co Fe2 N25 O9
Title of publication	Structural regulation of three Fe–Co cyanometallate complexes: reactant ratio issue
Authors of publication	Li, Qiuyu; Cao, Qiuyue; Xi, Jing; Zhang, Ziyi; Yao, Binling; Shao, Dong; Deng, Yi-Fei; Zhang, Yuan-Zhu
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	3
Pages of publication	407 - 414
a	11.5164 ± 0.0004 Å
b	16.3636 ± 0.0006 Å
c	16.3579 ± 0.0006 Å
α	75.334 ± 0.002°
β	83.411 ± 0.001°
γ	74.951 ± 0.002°
Cell volume	2875.96 ± 0.18 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0828
Residual factor for significantly intense reflections	0.0629
Weighted residual factors for significantly intense reflections	0.1696
Weighted residual factors for all reflections included in the refinement	0.1872
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
298220 (current)	2025-03-04	cif/ Updating files of 7249670, 7249671, 7249672 Original log message: Adding full bibliography for 7249670--7249672.cif.	7249670.cif
296727	2024-12-07	cif/ Adding structures of 7249670, 7249671, 7249672 via cif-deposit CGI script.	7249670.cif