Crystallography Open Database

Information card for entry 2023596

2023595 << 2023596 >> 2023597

Preview

Coordinates	2023596.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-1,5-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	11.3312 ± 0.0015 Å
b	10.9678 ± 0.0015 Å
c	8.943 ± 0.0012 Å
α	90°
β	97.745 ± 0.003°
γ	90°
Cell volume	1101.3 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0316
Residual factor for significantly intense reflections	0.0243
Weighted residual factors for significantly intense reflections	0.0603
Weighted residual factors for all reflections included in the refinement	0.0627
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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.	2023596.cif