Crystallography Open Database

Information card for entry 7245890

Preview

Coordinates	7245890.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H44 Cu4 I8 N4 O12
Calculated formula	C56 H44 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	17.7012 ± 0.0004 Å
b	17.7012 ± 0.0004 Å
c	20.5023 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	6424 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0477
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0813
Weighted residual factors for all reflections included in the refinement	0.089
Goodness-of-fit parameter for all reflections included in the refinement	1.178
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.	7245890.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.	7245890.cif