Crystallography Open Database

Information card for entry 2023597

2023596 << 2023597 >> 2100000

Preview

Coordinates	2023597.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>trans</i>-Diaquabis(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) naphthalene-2,6-disulfonate
Formula	C16 H30 N4 Ni O8 S2
Calculated formula	C16 H30 N4 Ni O8 S2
Title of publication	Syntheses and structures of trans-diaquabis(propane-1,3-diamine-κ2 N,N′)nickel(II) salts of two isomeric naphthalenedisulfonates
Authors of publication	Squattrito, Philip J.; Gianopoulos, Christopher G.
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2026
Journal volume	82
Journal issue	11
a	7.953 ± 0.0003 Å
b	8.1103 ± 0.0003 Å
c	9.7183 ± 0.0003 Å
α	89.9982 ± 0.0011°
β	81.8907 ± 0.0011°
γ	63.368 ± 0.001°
Cell volume	553.32 ± 0.03 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0257
Residual factor for significantly intense reflections	0.022
Weighted residual factors for significantly intense reflections	0.0568
Weighted residual factors for all reflections included in the refinement	0.0583
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
306954 (current)	2026-10-09	cif/ Adding structures of 2023596, 2023597 via cif-deposit CGI script.	2023597.cif