Crystallography Open Database

Information card for entry 7716933

Preview

Coordinates	7716933.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H68 B Cl Co Fe N13 O8
Calculated formula	C50 H67.9988 B Cl Co Fe N13 O8
Title of publication	Four-step electron transfer coupled spin transition in a cyano-bridged [Fe2Co2] square complex
Authors of publication	Ikeda, Taisuke; Huang, Yu-Bo; Wu, Shu-Qi; Zheng, Wenwei; Xu, Wen-Huang; Zhang, Xiaopeng; Ji, Tianchi; Uematsu, Mikoto; Kanegawa, Shinji; Su, Sheng-Qun; Sato, Osamu
Journal of publication	Dalton Transactions
Year of publication	2024
Journal volume	53
Journal issue	37
Pages of publication	15465 - 15470
a	16.5955 ± 0.0004 Å
b	14.0531 ± 0.0003 Å
c	23.5734 ± 0.0006 Å
α	90°
β	98.168 ± 0.002°
γ	90°
Cell volume	5442 ± 0.2 Å³
Cell temperature	100.04 ± 0.1 K
Ambient diffraction temperature	100.04 ± 0.1 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.073
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.1186
Weighted residual factors for all reflections included in the refinement	0.1335
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation probe	x-ray
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
295247 (current)	2024-10-06	cif/ Updating files of 7716933 Original log message: Adding full bibliography for 7716933.cif.	7716933.cif
294301	2024-08-31	cif/ Adding structures of 7716933 via cif-deposit CGI script.	7716933.cif