Crystallography Open Database

Information card for entry 7249619

Preview

Coordinates	7249619.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H46 Cl20 Co2 Er2 N4 O20
Calculated formula	C94 H46 Cl20 Co2 Er2 N4 O20
Title of publication	Syntheses and properties of two pH-directed types of cobalt–lanthanoid heterometallic complexes constructed from 2,5-dichlorobenzoate and 1,10-phenanthroline
Authors of publication	Shen, Yue; Jin, Jiu-Zeng; Yang, Zhen-Yu; Zhao, Jie; Liu, Bin-Qiu; Zhang, Ju-Wen
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	48
Pages of publication	6873 - 6882
a	13.7158 ± 0.0015 Å
b	27.325 ± 0.003 Å
c	14.1709 ± 0.0016 Å
α	90°
β	107.346 ± 0.002°
γ	90°
Cell volume	5069.5 ± 1 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	7
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	0.0524
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.0869
Weighted residual factors for all reflections included in the refinement	0.0912
Goodness-of-fit parameter for all reflections included in the refinement	1.159
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
297106 (current)	2025-01-06	cif/ Updating files of 7249611, 7249612, 7249613, 7249614, 7249615, 7249616, 7249617, 7249618, 7249619, 7249620, 7249621 Original log message: Adding full bibliography for 7249611--7249621.cif.	7249619.cif
296027	2024-11-21	cif/ Adding structures of 7249611, 7249612, 7249613, 7249614, 7249615, 7249616, 7249617, 7249618, 7249619, 7249620, 7249621 via cif-deposit CGI script.	7249619.cif