Crystallography Open Database

Information card for entry 7717753

Preview

Coordinates	7717753.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H42 B2 F8 N8 O7 Zn
Calculated formula	C49 H42 B2 F8 N8 O7 Zn
Title of publication	A mononuclear iron(II) complex constructed using a complementary ligand pair exhibits intrinsic luminescence-spin-crossover coupling.
Authors of publication	Chen, Du-Yong; Yi, Cheng; Li, Xin-Feng; Zhou, Ren-He; Zhang, Li-Yan; Cai, Rui; Meng, Yin-Shan; Liu, Tao
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	7
Pages of publication	2908 - 2915
a	16.1487 ± 0.0013 Å
b	20.9213 ± 0.0015 Å
c	28.5186 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	9635.1 ± 1.2 Å³
Cell temperature	299.5 K
Ambient diffraction temperature	299.5 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0918
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1179
Weighted residual factors for all reflections included in the refinement	0.1414
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
298914 (current)	2025-04-05	cif/ Updating files of 7717751, 7717752, 7717753, 7717754 Original log message: Adding full bibliography for 7717751--7717754.cif.	7717753.cif
297149	2025-01-07	cif/ Adding structures of 7717751, 7717752, 7717753, 7717754 via cif-deposit CGI script.	7717753.cif