Crystallography Open Database

Information card for entry 7245883

Preview

Coordinates	7245883.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H36 Cu4 I8 N4 O12
Calculated formula	C52 H36 Cu4 I8 N4 O12
Title of publication	Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers
Authors of publication	Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	1
Pages of publication	130 - 136
a	17.3463 ± 0.0003 Å
b	17.3463 ± 0.0003 Å
c	19.8722 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	5979.4 ± 0.2 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0679
Residual factor for significantly intense reflections	0.0617
Weighted residual factors for significantly intense reflections	0.1165
Weighted residual factors for all reflections included in the refinement	0.1188
Goodness-of-fit parameter for all reflections included in the refinement	1.16
Diffraction radiation probe	x-ray
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
281404 (current)	2023-03-04	cif/ Updating files of 7245877, 7245878, 7245879, 7245880, 7245881, 7245882, 7245883, 7245884, 7245885, 7245886, 7245887, 7245888, 7245889, 7245890 Original log message: Adding full bibliography for 7245877--7245890.cif.	7245883.cif
279480	2022-11-23	cif/ Adding structures of 7245877, 7245878, 7245879, 7245880, 7245881, 7245882, 7245883, 7245884, 7245885, 7245886, 7245887, 7245888, 7245889, 7245890 via cif-deposit CGI script.	7245883.cif