Crystallography Open Database

Information card for entry 7245928

Preview

Coordinates	7245928.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H54 Cu3 F36 N6 O20
Calculated formula	C70 H54 Cu3 F36 N6 O20
Title of publication	Slow magnetic relaxation and selective luminescent probe in a 2p–3d–4f heterotrispin chain
Authors of publication	Zhu, Mei; Ma, Shuqi; Dong, Huiyang; Zhong, Qing; Liu, Yi
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	3
Pages of publication	403 - 416
a	11.5153 ± 0.0004 Å
b	13.8164 ± 0.0005 Å
c	15.7733 ± 0.0006 Å
α	93.479 ± 0.002°
β	101.463 ± 0.002°
γ	106.683 ± 0.002°
Cell volume	2337.35 ± 0.15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	172.97 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	0.0958
Residual factor for significantly intense reflections	0.0776
Weighted residual factors for significantly intense reflections	0.218
Weighted residual factors for all reflections included in the refinement	0.2308
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
281461 (current)	2023-03-04	cif/ Updating files of 7245927, 7245928, 7245929, 7245930, 7245931, 7245932 Original log message: Adding full bibliography for 7245927--7245932.cif.	7245928.cif
279632	2022-11-30	cif/ Adding structures of 7245927, 7245928, 7245929, 7245930, 7245931, 7245932 via cif-deposit CGI script.	7245928.cif