Crystallography Open Database

Information card for entry 7711195

Preview

Coordinates	7711195.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	mer-[InCl3(pzH)3]
Chemical name	InCl3(C3N2H4)3
Formula	C9 H12 Cl3 In N6
Calculated formula	C9 H12 Cl3 In N6
SMILES	[In](Cl)(Cl)(Cl)([n]1[nH]ccc1)([n]1[nH]ccc1)[n]1[nH]ccc1
Title of publication	Mononuclear, hexanuclear and polymeric indium(iii) pyrazolido complexes; structural characterization, dynamic solution studies and luminescent properties
Authors of publication	Herrera, Susana; Rivero, Kennett I.; Guzmán, Alexis; Cedeño, Jonathan; Miksovska, Jaroslava; Raptis, Raphael G.
Journal of publication	Dalton Transactions
Year of publication	2022
a	8.6493 ± 0.0008 Å
b	14.1766 ± 0.0013 Å
c	12.8875 ± 0.0012 Å
α	90°
β	106.311 ± 0.003°
γ	90°
Cell volume	1516.6 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0216
Residual factor for significantly intense reflections	0.0181
Weighted residual factors for significantly intense reflections	0.0364
Weighted residual factors for all reflections included in the refinement	0.0378
Goodness-of-fit parameter for all reflections included in the refinement	1.161
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
277723 (current)	2022-09-08	cif/ Adding structures of 7711195, 7711196, 7711197, 7711198, 7711199, 7711200, 7711201, 7711202 via cif-deposit CGI script.	7711195.cif