Crystallography Open Database

Information card for entry 2022940

2022939 << 2022940 >> 2022941

Preview

Coordinates	2022940.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[dibromidocadmium(II)]-bis(μ-3-amino-1<i>H</i>-pyrazole)-κ^2^<i>N</i>^3^:<i>N</i>^2^;κ^2^<i>N</i>^2^:<i>N</i>^3^]
Formula	C6 H10 Br2 Cd N6
Calculated formula	C6 H10 Br2 Cd N6
Title of publication	Crystal structure of polymeric bis(3-amino-1H-pyrazole)cadmium dibromide
Authors of publication	Kuzevanova, Iryna S.; Vynohradov, Oleksandr S.; Pavlenko, Vadim A.; Malinkin, Sergey O.; Shova, Sergiu; Fritsky, Igor O.; Seredyuk, Maksym
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2023
Journal volume	79
Journal issue	12
Pages of publication	1151 - 1154
a	5.0515 ± 0.0002 Å
b	6.7912 ± 0.0003 Å
c	8.7083 ± 0.0006 Å
α	83.585 ± 0.004°
β	79.907 ± 0.004°
γ	86.833 ± 0.003°
Cell volume	292.09 ± 0.03 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0454
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.1335
Weighted residual factors for all reflections included in the refinement	0.1336
Goodness-of-fit parameter for all reflections included in the refinement	1.272
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.