Crystallography Open Database

Information card for entry 7710845

Preview

Coordinates	7710845.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	CdL'
Formula	C9 H13 Cd Cl2 N5
Calculated formula	C9 H13 Cd Cl2 N5
SMILES	[Cd]12(Cl)(Cl)[n]3c(cccc3C(=[N]2N)C)C(=[N]1N)C
Title of publication	Hydrolysis of a carbamate triggered by coordination of metal ions
Authors of publication	Fernández-Fariña, Sandra; Martinez-Calvo, Miguel; Romero, María José; Seco, José Manuel; Zaragoza, Guillermo; Pedrido Castiñeiras, Rosa; González-Noya, Ana M.
Journal of publication	Dalton Transactions
Year of publication	2022
a	8.366 ± 0.002 Å
b	14.446 ± 0.003 Å
c	10.65 ± 0.002 Å
α	90°
β	91.774 ± 0.004°
γ	90°
Cell volume	1286.5 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.028
Residual factor for significantly intense reflections	0.0211
Weighted residual factors for significantly intense reflections	0.0522
Weighted residual factors for all reflections included in the refinement	0.0542
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
276989 (current)	2022-07-29	cif/ Adding structures of 7710844, 7710845 via cif-deposit CGI script.	7710845.cif