Crystallography Open Database

Information card for entry 7711196

Preview

Coordinates	7711196.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	mer-[InCl3(4-Cl-pzH)3]
Chemical name	InCl3(N2C3ClH3)3
Formula	C9 H9 Cl6 In N6
Calculated formula	C9 H9 Cl6 In N6
SMILES	[In](Cl)(Cl)(Cl)([n]1[nH]cc(Cl)c1)([n]1[nH]cc(Cl)c1)[n]1[nH]cc(Cl)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	6.8851 ± 0.0011 Å
b	10.5525 ± 0.0018 Å
c	12.437 ± 0.002 Å
α	78.541 ± 0.005°
β	89.43 ± 0.005°
γ	87.01 ± 0.005°
Cell volume	884.4 ± 0.3 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 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	0.0259
Residual factor for significantly intense reflections	0.0238
Weighted residual factors for significantly intense reflections	0.054
Weighted residual factors for all reflections included in the refinement	0.0554
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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.	7711196.cif