Crystallography Open Database

Information card for entry 7711198

Preview

Coordinates	7711198.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	mer-[InCl3(4-Br-pzH)3].(C3H6O)
Chemical name	InCl3(N2C3BrH3)3
Formula	C12 H15 Br3 Cl3 In N6 O
Calculated formula	C9 H9 Br3 Cl3 In N6
SMILES	[In](Cl)(Cl)(Cl)([n]1[nH]cc(Br)c1)([n]1[nH]cc(Br)c1)[n]1[nH]cc(Br)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	21.5137 ± 0.0018 Å
b	13.4766 ± 0.0011 Å
c	14.5898 ± 0.0012 Å
α	90°
β	103.642 ± 0.002°
γ	90°
Cell volume	4110.7 ± 0.6 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	7
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	0.0646
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.14
Weighted residual factors for all reflections included in the refinement	0.1517
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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.	7711198.cif