Crystallography Open Database

Information card for entry 2243899

Preview

Coordinates	2243899.cif
Structure factors	2243899.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	μ-Aqua-1:2κ^2^<i>O</i>:<i>O</i>-heptaaqua-1κ^3^<i>O</i>,2κ^2^<i>O</i>,3κ^2^<i>O</i>-bis(μ-4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-olato)-1:2κ^2^<i>O</i>^2^:<i>N</i>^1^;2:3κ^2^<i>N</i>^1^:<i>O</i>^2^-bis(4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-olato)-1κ<i>O</i>^2^,3κ<i>O</i>^2^-2-cadmium-1,3-disodium
Formula	C12 H24 Cd N12 Na2 O20
Calculated formula	C12 H24 Cd N12 Na2 O20
Title of publication	Synthesis and crystal structure of a heterobimetallic cadmium‒sodium complex of 1,3,5-triazine-2,4,6-trione, [CdNa~2~(C~3~H~2~N~3~O~3~)~4~(H~2~O)~8~]
Authors of publication	Divya, R.; Bijini, B. R.; Dhanya, V. S.; Babu, K. Rajendra; Sithambaresan, M.
Journal of publication	Acta Crystallographica Section E
Year of publication	2021
Journal volume	77
Journal issue	9
a	7.0501 ± 0.0003 Å
b	10.0314 ± 0.0005 Å
c	19.5058 ± 0.0009 Å
α	101.023 ± 0.001°
β	90.468 ± 0.001°
γ	97.233 ± 0.001°
Cell volume	1342.53 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.028
Residual factor for significantly intense reflections	0.0243
Weighted residual factors for significantly intense reflections	0.0614
Weighted residual factors for all reflections included in the refinement	0.0633
Goodness-of-fit parameter for all reflections included in the refinement	1.2
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
268120 (current)	2021-08-18	cif/ hkl/ Adding structures of 2243899 via cif-deposit CGI script.	2243899.cif 2243899.hkl