Crystallography Open Database

Information card for entry 7711197

Preview

Coordinates	7711197.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	mer-[InCl3(4-I-pzH)3]
Chemical name	InCl3(N2C3IH3)3
Formula	C9 H9 Cl3 I3 In N6
Calculated formula	C9 H9 Cl3 I3 In N6
SMILES	Ic1c[n]([In](Cl)(Cl)(Cl)([n]2[nH]cc(I)c2)[n]2[nH]cc(I)c2)[nH]c1
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	21.9388 ± 0.0008 Å
b	13.6898 ± 0.0005 Å
c	14.7364 ± 0.0006 Å
α	90°
β	103.378 ± 0.001°
γ	90°
Cell volume	4305.8 ± 0.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 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	0.0661
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.0648
Weighted residual factors for all reflections included in the refinement	0.0716
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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.	7711197.cif