Crystallography Open Database

Information card for entry 1565027

Preview

Coordinates	1565027.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C87 H53 Cl5 N18 Ni2 O16 S2
Calculated formula	C87 H53 Cl5 N18 Ni2 O16 S2
Title of publication	Ternary Co(II), Ni(II) and Cu(II) complexes containing dipyridophenazine and saccharin: Structures, reactivity, binding interactions with biomolecules and DNA damage activity
Authors of publication	Kumar, Priyaranjan; Butcher, Ray J.; Patra, Ashis K.
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	506
Pages of publication	119532
a	22.077 ± 0.001 Å
b	20.8561 ± 0.0009 Å
c	20.2911 ± 0.001 Å
α	90°
β	114.033 ± 0.001°
γ	90°
Cell volume	8532.9 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.1001
Residual factor for significantly intense reflections	0.065
Weighted residual factors for significantly intense reflections	0.1722
Weighted residual factors for all reflections included in the refinement	0.202
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
270054 (current)	2021-10-21	cif/ Adding structures of 1565026, 1565027, 1565028, 1565029, 1565030 via cif-deposit CGI script.	1565027.cif