Crystallography Open Database

Information card for entry 7711200

Preview

Coordinates	7711200.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(pipH)3[In6Cl6(Â?-4-Ph-pz)6(Â?-OH)6(Â?3-OH0.5)2]
Chemical name	(NC5H12)3[In6Cl6(N2C9H7)6(OH)7O]
Formula	C72 H91 Cl6 In6 N15 O9
Calculated formula	C69 H85 Cl6 In6 N15 O8
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	17.185 ± 0.002 Å
b	17.185 ± 0.002 Å
c	18.443 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	4716.9 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.0418
Residual factor for significantly intense reflections	0.0282
Weighted residual factors for significantly intense reflections	0.0631
Weighted residual factors for all reflections included in the refinement	0.0744
Goodness-of-fit parameter for all reflections included in the refinement	1.143
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.	7711200.cif