Crystallography Open Database

Information card for entry 2023576

2023575 << 2023576 >> 2023577

Preview

Coordinates	2023576.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[[bis(2,3-dimethylpyrazine-κ<i>N</i>^1^)cadmium(II)]-di-μ-chlorido] monohydrate]
Formula	C12 H18 Cd Cl2 N4 O
Calculated formula	C12 H18 Cd Cl2 N4 O
Title of publication	Synthesis, crystal structure and thermal properties of catena-poly[[[bis(2,3-dimethylpyrazine-κN 1)cadmium(II)]-di-μ-chlorido] monohydrate]
Authors of publication	Näther, Christian
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2026
Journal volume	82
Journal issue	10
Pages of publication	1230 - 1234
a	30.6316 ± 0.0015 Å
b	7.4391 ± 0.0003 Å
c	16.3857 ± 0.0008 Å
α	90°
β	121.538 ± 0.003°
γ	90°
Cell volume	3182.3 ± 0.3 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 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	0.0628
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1305
Weighted residual factors for all reflections included in the refinement	0.1433
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
306927 (current)	2026-09-30	cif/ Adding structures of 2023576 via cif-deposit CGI script.	2023576.cif