Crystallography Open Database

Information card for entry 7061361

Preview

Coordinates	7061361.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H33 Cl N4 O6 Zn
Calculated formula	C45 H33 Cl N4 O6 Zn
Title of publication	Solvent-driven structural topologies in phenanthroline-based co-crystals of Zn(ii) involving fascinating infinite chair-like {[(bzH)4Cl2]2−}n assemblies and unconventional layered infinite {bz-H2O-Cl}n anion-water clusters: antiproliferative evaluation and theoretical studies
Authors of publication	Dutta, Debasish; Sharma, Pranay; Gomila, Rosa M.; Frontera, Antonio; Barcelo-Oliver, Miquel; Verma, Akalesh K.; Baruwa, Bandita; Bhattacharyya, Manjit K.
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	12
Pages of publication	5638 - 5652
a	16.7802 ± 0.0015 Å
b	18.5879 ± 0.0016 Å
c	13.4134 ± 0.0012 Å
α	90°
β	113.467 ± 0.002°
γ	90°
Cell volume	3837.7 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1248
Residual factor for significantly intense reflections	0.1243
Weighted residual factors for significantly intense reflections	0.3147
Weighted residual factors for all reflections included in the refinement	0.3151
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
275042 (current)	2022-05-05	cif/ Updating files of 7061360, 7061361 Original log message: Adding full bibliography for 7061360--7061361.cif.	7061361.cif
273309	2022-03-04	cif/ Adding structures of 7061360, 7061361 via cif-deposit CGI script.	7061361.cif