Crystallography Open Database

Information card for entry 7712145

Preview

Coordinates	7712145.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H118 B2 Cl2 Co2 Fe2 N32 O10
Calculated formula	C100 H118 B2 Cl2 Co2 Fe2 N32 O10
Title of publication	Thermo- and photo-induced electron transfer in a series of [Fe<sub>2</sub>Co<sub>2</sub>] capsules.
Authors of publication	Meng, Lingyi; Deng, Yi-Fei; Holmes, Stephen M.; Zhang, Yuan-Zhu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	6
Pages of publication	1616 - 1622
a	21.745 ± 0.003 Å
b	14.6648 ± 0.0016 Å
c	21.799 ± 0.002 Å
α	90°
β	109.157 ± 0.004°
γ	90°
Cell volume	6566.4 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.99 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	0.1274
Residual factor for significantly intense reflections	0.0869
Weighted residual factors for significantly intense reflections	0.2238
Weighted residual factors for all reflections included in the refinement	0.2609
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
283305 (current)	2023-05-05	cif/ Updating files of 7712143, 7712144, 7712145, 7712146, 7712147, 7712148 Original log message: Adding full bibliography for 7712143--7712148.cif.	7712145.cif
280406	2023-01-18	cif/ Adding structures of 7712143, 7712144, 7712145, 7712146, 7712147, 7712148 via cif-deposit CGI script.	7712145.cif